#DEFINITION	Reference Metabolome for Oenanthe javanica
#IDENTTFIER	RefMeta-Oenanthe javanica.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Oenanthe javanica
#CREATION	07-JUN-2023
#PUBLICATION	RefMetaPlant: a reference metabolome database for plants across five major phyla
#JOURNAL	Nucleic Acids Research
#AUTHORS	Shi H, Wu X, Zhu Y, Chen P, Xu X, and Li X.
#COMMENT	Reference metabolome for Oenanthe javanica was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03311	0.5
71.01240	0.4
71.28043	0.4
71.54018	0.4
71.70406	0.3
77.03796	0.3
78.95776	30.7
96.95875	0.5
96.96851	0.4
122.00029	1.1
140.01076	6.7
144.26639	0.4
152.99518	3.2
166.02625	0.3
171.00519	1.2
191.05579	0.7
196.03716	9.7
214.04913	2.4
214.06668	0.5
228.61325	0.3
261.22299	0.7
265.14764	0.4
279.23282	100.0
280.23621	7.5
288.43555	0.3
333.58853	0.3
366.76419	0.3
474.24213	0.3
476.27823	92.5
477.28088	8.7
675.27716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6106
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52744	0.2
78.95776	7.5
88.98661	0.2
91.04807	0.1
96.95859	0.5
96.96833	0.2
98.19627	0.1
105.88557	0.1
114.32147	0.1
122.00016	0.2
122.83353	0.1
140.01077	2.2
152.99498	0.9
159.04604	0.1
191.05595	0.2
196.03732	1.3
214.04811	2.7
261.22223	0.5
279.23279	100.0
280.23618	8.3
280.26767	0.2
476.27829	52.8
477.28156	5.5
477.34985	0.3
934.36987	0.2
986.10590	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53278	2.5
71.01257	10.2
72.99176	1.1
73.02811	1.8
78.95754	1.1
83.01260	1.1
83.04881	0.5
85.02824	2.6
87.00761	2.1
89.02317	9.0
89.02843	0.7
93.03318	0.7
95.01282	1.1
96.95882	2.6
96.96839	1.0
97.02818	2.5
97.06455	0.5
99.00739	0.7
101.02322	7.1
109.06453	0.4
111.04393	0.4
111.08038	9.1
113.02338	4.5
116.92721	0.5
119.03380	2.1
125.02330	2.6
127.07552	0.9
135.04390	0.4
137.09586	0.4
139.03894	0.4
139.11240	0.5
143.03458	0.9
149.04507	0.5
153.12749	1.1
161.04510	1.9
163.11194	0.7
165.12756	0.8
167.10637	0.4
169.12241	4.5
171.10175	2.5
172.19640	0.4
175.11183	0.4
179.05498	2.1
179.10687	0.4
181.12270	1.4
183.13799	0.9
183.76219	0.5
185.11818	0.4
187.09314	0.4
191.05573	2.3
193.12224	0.9
193.15965	0.4
197.11768	42.5
198.12180	1.9
199.13287	2.5
209.11731	0.8
211.13326	6.8
212.13689	0.5
221.06610	0.9
221.11600	0.3
223.13252	0.4
227.12866	1.6
229.19640	0.6
235.08301	1.9
245.19482	0.4
247.20538	0.8
263.07681	0.5
263.20151	2.6
265.18036	0.9
273.18472	0.8
277.18115	0.4
277.21582	0.4
291.19672	18.2
292.20038	1.8
293.21149	0.6
305.08905	0.8
309.20703	100.0
310.21054	8.0
352.56049	0.3
358.52859	0.4
379.12265	1.1
397.13510	19.6
398.13861	1.5
414.28760	0.4
415.14618	13.4
416.14825	1.0
601.41431	1.7
602.41681	0.5
689.33752	1.8
707.34692	3.6
708.35443	0.7
999.54779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.166
Annotation	Unknow
Peak:m/z	Relative Intensity
71.23063	0.2
79.95628	0.3
84.57533	0.2
96.95866	0.3
98.19775	0.7
107.01254	0.3
108.02136	0.3
125.48769	0.3
135.00784	0.5
148.01549	0.6
151.00243	0.4
163.00238	1.2
164.01012	0.3
173.52161	0.3
199.03806	0.3
200.04663	0.3
216.04251	0.3
226.02617	0.3
227.03470	1.4
228.04225	0.3
230.28514	0.3
243.02965	6.4
244.03688	1.6
254.02046	1.5
255.02966	12.4
256.03436	1.5
259.06027	0.6
271.02469	26.0
272.03113	4.3
285.03934	0.6
287.05524	1.2
297.04031	0.3
299.01764	0.3
300.02740	38.1
301.02997	2.5
315.05099	100.0
316.05408	8.2
316.08972	0.5
352.06592	0.2
386.10480	0.3
395.00769	76.1
396.01071	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53499	0.4
73.76454	0.2
106.06749	0.3
108.02113	0.2
123.00685	0.2
135.00801	0.4
148.01559	0.6
148.55399	0.2
151.00200	0.7
163.00262	1.0
164.01031	0.2
191.05600	0.3
199.03943	0.4
211.03874	0.3
216.04129	0.5
226.02606	0.5
227.03490	1.2
228.04088	0.2
243.02937	6.3
244.03691	1.9
254.02122	1.1
255.02954	13.6
256.03326	1.2
259.06042	0.9
271.02472	27.8
272.03110	5.4
273.03793	0.3
287.05515	1.7
299.01926	0.6
300.02740	38.3
301.03040	2.3
315.05090	100.0
316.05408	7.2
331.04449	0.3
395.00757	73.0
396.01093	5.7
397.00934	0.4
534.76953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99684	1.1
69.03310	0.3
71.01251	21.0
71.33074	0.4
72.99167	1.5
73.02811	2.6
75.00747	4.5
82.03680	0.2
83.01263	2.5
83.08681	0.2
85.02820	10.1
85.29377	0.2
85.99975	0.5
87.00742	4.0
89.02309	8.1
93.03305	0.5
95.01266	3.5
97.02806	0.5
99.00751	8.1
101.02319	10.1
111.00763	0.5
112.01548	0.3
113.02325	9.1
115.00241	0.5
119.03372	2.8
125.02345	0.4
126.40502	0.3
129.01797	0.2
131.03397	3.9
135.04449	0.3
139.00255	0.7
143.03377	0.7
149.04453	0.2
157.01321	0.4
159.02864	0.6
161.04459	5.5
179.05507	1.3
191.05565	0.3
221.04564	0.4
221.06613	6.6
222.06812	0.3
263.07806	0.6
325.23682	0.2
437.33966	0.4
453.33780	4.6
454.34055	0.6
455.35367	3.8
456.35651	0.4
481.36996	0.5
483.34702	0.3
497.36331	0.5
514.79907	0.3
523.37793	4.6
524.38196	0.9
537.35907	0.9
551.37256	0.8
567.36926	0.7
569.38568	2.0
570.38214	0.4
587.39392	0.5
595.36469	0.3
613.37518	2.8
614.37915	0.3
713.42792	0.4
731.15802	0.2
731.43695	0.9
732.45190	0.3
799.36267	0.3
937.47931	1.1
955.48987	100.0
956.49237	22.2
991.42877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	2.0
70.13974	0.8
70.14384	1.5
71.01253	17.3
72.99197	1.9
73.02488	0.4
73.02811	2.3
75.00748	0.5
78.95815	0.5
81.03346	0.7
83.01261	1.9
83.04911	1.2
85.02821	3.8
87.00758	3.5
89.02316	13.3
89.02834	0.8
95.01287	1.5
96.95905	1.8
97.02835	5.0
98.20465	0.7
99.00781	0.9
101.02323	12.1
106.39046	0.4
111.08035	7.0
113.02341	6.6
119.03394	4.5
121.10113	0.5
125.02334	4.7
125.09625	0.8
127.07585	0.5
131.03391	0.7
137.09645	0.8
139.03909	0.5
141.78261	0.4
143.03426	2.0
151.11189	0.7
153.12700	0.8
161.04449	3.4
165.12819	1.7
169.12234	3.1
171.10205	3.3
179.05533	4.2
179.14320	0.6
179.77238	0.4
181.12294	1.3
183.13951	0.9
185.11694	0.9
191.05533	1.0
195.13853	8.3
196.14473	0.5
197.11765	36.1
198.12109	1.5
199.13367	2.0
205.12248	0.7
205.15843	0.5
207.13852	0.5
209.11818	1.1
209.15468	0.7
211.13342	5.9
217.07076	0.5
221.06624	1.8
223.13359	5.8
225.11250	0.6
225.15094	0.9
227.12854	1.8
228.13701	1.0
233.15424	0.6
235.08214	3.8
245.06406	0.6
247.20604	1.5
253.09238	1.3
256.13193	1.2
263.07574	0.8
263.20114	2.5
265.18146	0.9
273.18637	1.4
275.20251	5.4
276.20758	0.7
277.21582	2.9
287.07703	1.4
289.18143	2.6
291.19669	20.7
292.19992	2.0
293.21231	100.0
294.21558	7.2
305.08722	1.9
307.19250	1.1
309.20709	83.1
310.21100	5.6
317.21371	0.6
323.09937	0.8
327.21512	0.6
333.20880	0.6
337.32849	0.5
379.12381	2.1
383.41510	0.5
397.13504	37.7
398.13928	2.4
415.14569	19.3
416.14908	1.1
585.41809	2.6
595.26807	0.6
667.18079	0.5
689.33868	1.9
691.35114	2.2
707.34363	3.2
921.52344	0.8
947.54492	1.0
983.55865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	988.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	10.5
72.99189	1.3
75.00750	1.0
78.95754	0.7
83.01244	2.1
85.02831	5.8
89.02311	7.0
92.04726	0.6
93.03358	0.6
95.01264	3.1
96.95879	1.9
97.02833	1.4
98.60932	0.6
99.00751	2.4
101.02336	4.5
104.24617	0.6
109.39675	0.7
112.01550	0.9
113.02338	6.6
116.92754	0.8
119.03413	1.2
131.03397	0.7
139.00230	0.8
158.12744	0.7
191.05591	1.8
397.13586	1.0
437.34326	0.8
453.33698	2.4
455.35239	3.5
537.35938	2.1
549.35791	1.2
551.37231	2.1
569.38373	2.1
644.43909	0.7
745.42078	0.9
925.48016	100.0
926.48254	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5893
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76042	0.3
71.20141	1.0
71.30730	0.4
71.31860	0.3
73.35159	0.3
74.20914	0.4
78.95772	28.1
82.43207	0.4
96.96834	2.7
152.99484	40.2
160.74962	0.4
171.00551	12.0
200.27335	0.4
209.11789	1.4
227.03276	2.2
245.04277	55.6
246.04634	1.4
253.21690	25.0
254.22113	2.2
255.23248	0.7
256.23761	0.4
277.21735	0.7
315.05005	0.4
397.13483	1.1
480.30817	0.9
481.25693	100.0
482.26044	10.1
897.45782	0.7
977.40997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	32.4
70.03658	0.4
71.01248	4.7
71.52838	0.5
72.99174	1.3
79.01804	0.9
85.02814	1.6
87.00754	2.1
95.01263	1.7
96.95888	0.5
97.02831	19.8
99.00755	8.0
111.00769	0.7
115.00242	1.8
123.00758	1.0
129.01817	0.7
133.02823	0.3
134.03682	0.7
135.04413	16.2
135.08932	0.3
136.02130	0.3
136.04767	0.4
141.01828	6.6
159.02899	0.7
161.02267	0.4
179.03419	17.9
180.03775	0.7
185.00835	16.6
191.05544	0.9
203.01907	95.1
204.02213	3.2
322.76028	0.3
333.55856	0.3
338.58389	0.3
365.05115	100.0
366.05463	5.6
527.08185	4.0
1011.69037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03307	3.6
71.01256	5.5
71.33331	1.4
78.95789	1.1
81.03314	2.9
83.04913	2.3
85.02822	17.3
87.00751	11.8
93.03335	58.8
94.03655	1.6
95.04869	1.4
96.95893	5.9
99.00745	1.2
101.02331	0.9
105.03327	4.2
107.04887	1.7
108.02050	2.2
111.00815	0.9
111.04400	8.0
111.72929	0.8
117.03331	0.9
121.02812	1.4
123.04400	1.2
124.01533	2.4
125.02319	1.3
127.03900	2.3
129.01828	1.6
132.02049	3.3
133.02855	34.7
134.03687	7.0
135.04419	53.7
136.04732	1.5
137.02341	5.2
139.03885	1.9
149.02351	1.1
150.03123	1.8
151.03926	4.5
155.03357	1.9
160.01561	3.5
161.02341	10.7
163.03902	1.4
173.04472	14.2
173.05974	1.1
177.01848	9.1
178.02544	3.5
179.03433	11.1
185.00726	1.3
191.05537	100.0
192.05878	3.6
194.78746	0.8
208.89767	0.8
209.11798	5.0
211.13472	0.9
215.05501	5.0
297.11423	0.9
299.12961	1.6
308.08893	2.3
325.10678	2.7
351.07288	9.4
352.07852	1.8
371.14993	0.9
398.97137	0.9
607.23584	1.0
688.78864	1.1
771.32440	1.8
789.33264	22.8
790.33392	2.8
807.34509	3.4
963.38165	1.6
981.39661	89.1
982.40002	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	1.2
71.01257	15.9
71.44305	0.5
72.99162	1.9
73.02824	3.0
75.00734	0.6
81.03339	1.0
83.01259	1.8
85.02826	4.1
87.00756	3.8
89.02317	13.6
89.75851	0.4
91.68765	0.4
95.01259	0.7
96.95879	1.2
97.02831	3.4
99.00758	1.6
99.04367	0.4
101.02319	12.9
109.02800	0.5
113.02322	7.8
116.92739	0.8
119.03389	4.3
125.02337	6.0
127.03926	0.5
131.03397	0.7
133.04935	0.7
139.03923	0.7
141.01773	0.6
143.03448	2.3
161.04466	3.1
171.10167	0.4
179.05534	3.0
179.14377	1.0
191.05557	2.5
195.13814	7.9
205.12169	0.5
205.15970	0.5
209.11703	0.6
216.97980	0.6
221.06636	1.3
223.13365	6.9
228.13541	1.0
228.60423	0.4
231.21028	0.6
235.08177	6.6
236.10635	0.5
253.09253	1.7
256.13135	1.2
263.07733	0.9
265.10345	0.5
265.21936	0.5
275.20187	4.8
277.09326	0.4
279.23285	48.6
280.23669	3.1
287.07831	3.0
293.21222	100.0
294.21585	7.3
305.08823	1.7
311.18219	0.4
323.10080	1.0
379.12454	0.5
397.13486	70.4
398.13815	4.0
415.14578	25.2
415.19229	0.4
416.14740	1.2
510.00125	0.5
661.79736	0.5
677.37378	4.1
917.13684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86797	0.9
71.01226	0.3
92.46729	0.4
108.02028	0.7
112.72715	0.3
135.00751	0.3
135.29456	0.3
148.01569	0.8
151.00243	0.8
163.00270	1.2
182.49348	0.4
187.03871	0.3
191.05464	0.4
201.01765	0.3
216.04158	0.5
221.13850	0.3
226.02615	0.4
227.03395	1.2
243.02959	7.6
244.03723	2.1
254.02179	1.0
255.02954	13.8
256.03418	1.6
259.06110	0.5
259.46991	0.3
271.02466	28.8
272.03143	4.8
273.03421	0.5
287.05594	1.5
298.10532	0.3
299.02081	0.7
300.02744	37.6
301.03107	3.2
314.04352	0.3
315.05099	100.0
316.05432	6.9
317.05472	0.6
338.57452	0.4
395.00766	78.5
396.01025	5.9
397.00906	1.1
416.11115	0.5
621.84375	0.3
629.09729	0.4
725.94891	0.4
872.48865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	3.5
71.01256	49.5
71.53252	1.3
72.99173	2.9
73.02825	7.9
75.00740	1.1
81.03330	1.6
83.01256	4.5
85.02808	10.9
85.99963	1.2
87.00753	16.0
89.02319	39.8
93.03337	1.0
95.01260	4.3
96.95874	2.5
97.02828	5.6
99.00758	3.1
101.02325	40.3
111.00785	1.8
113.02335	22.6
114.06950	0.9
115.03933	1.1
116.92753	1.6
119.03390	9.8
125.02338	16.3
131.03392	11.2
143.03348	6.2
149.04434	1.5
161.04472	12.1
179.05539	15.7
184.62332	1.1
185.12070	1.0
191.05525	3.4
203.05489	2.5
209.11781	1.5
211.13277	1.3
221.06598	8.7
235.08205	3.8
249.18550	14.4
250.18913	1.4
253.09341	4.5
263.07843	1.2
272.71051	1.0
287.07706	1.2
291.19467	1.3
305.08966	1.8
323.09726	5.3
341.10831	1.7
365.10880	1.4
377.47607	1.1
383.11899	9.5
397.13437	13.4
415.14597	9.8
485.15213	2.7
541.17511	3.1
545.17578	1.3
559.18768	21.1
560.19073	1.9
577.19873	7.2
721.24042	100.0
722.24329	14.6
739.25214	35.1
739.35675	0.9
740.25513	4.7
809.38348	1.1
911.50061	1.7
971.43262	14.9
972.43616	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	2.2
71.01254	16.1
71.53094	1.4
72.99162	2.2
73.02826	2.6
78.95768	1.9
82.94277	0.8
83.01266	1.8
85.02814	4.1
87.00755	3.4
89.02312	12.8
94.92265	0.8
95.01254	1.4
95.04883	1.3
97.02833	3.2
101.02327	12.1
111.08059	6.2
113.02340	5.8
119.03397	4.0
125.02365	3.4
131.03455	0.9
143.03409	1.3
146.93073	1.0
152.99495	1.6
161.04405	1.3
167.10739	1.2
168.79106	0.8
177.12799	2.1
179.05530	4.4
179.10712	1.5
191.05580	2.8
195.13852	10.8
205.12163	0.9
208.38924	0.9
209.11739	0.9
221.06583	1.3
223.13414	4.7
235.08163	4.3
245.04211	1.0
247.20688	2.0
255.23296	2.7
256.13120	1.1
258.91141	0.8
275.20230	4.9
277.21823	1.8
287.07962	1.0
289.18112	1.2
291.19666	84.2
292.20020	6.8
293.21234	100.0
294.21542	8.1
379.12350	2.7
397.13535	31.5
398.13776	2.5
415.14474	11.3
481.25604	2.6
483.27310	3.2
549.95612	1.0
671.33026	3.1
672.33337	1.0
673.34412	2.2
689.33765	7.3
691.35571	1.2
770.53192	0.9
903.18121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03341	0.7
70.03795	0.3
70.04185	0.3
71.01248	7.0
72.01593	0.1
72.99161	0.8
73.02827	1.0
74.10310	0.1
75.00742	0.2
81.03320	0.2
82.00239	0.1
82.05604	0.1
83.01244	0.7
85.02817	1.7
85.99960	0.2
87.00755	2.0
87.04376	0.2
89.02316	6.5
90.02605	0.1
91.16613	0.1
95.01261	0.6
95.04875	0.3
97.02827	1.0
97.06458	0.2
99.00770	0.6
101.02321	5.2
109.02768	0.2
111.00701	0.1
111.08006	0.2
113.02322	3.0
113.09632	0.4
115.03831	0.1
116.92728	0.2
118.40607	0.1
119.03391	1.4
121.10126	0.2
123.00749	0.1
125.02344	2.1
125.09615	0.1
131.03375	0.2
133.04977	0.2
136.35539	0.2
139.03966	0.1
139.49210	0.1
140.94299	0.1
141.01744	0.2
141.09114	0.2
143.03409	0.9
161.04451	1.3
167.03369	0.2
167.10658	0.3
171.10173	0.5
179.05547	2.0
179.14342	0.7
181.12241	0.2
191.05562	0.2
195.13832	8.0
196.14413	0.6
197.15341	0.1
205.12282	0.8
205.15868	0.5
209.52731	0.2
211.13356	0.5
221.06516	0.8
223.13336	5.5
224.13716	0.4
225.14864	0.3
228.13644	0.9
231.21136	0.6
235.08206	2.0
239.12856	0.2
249.18506	0.2
249.22200	0.3
253.09212	0.5
255.23303	0.1
256.13141	1.1
263.07733	0.3
265.21729	0.5
275.20148	5.4
276.20523	0.4
277.21860	0.2
287.07776	0.5
293.21210	100.0
294.21539	7.9
305.08948	0.6
309.20862	0.3
317.21265	0.3
323.09805	0.5
379.12457	1.0
397.13470	15.5
398.13916	0.9
415.14529	9.6
416.15018	0.7
483.26382	0.1
559.00464	0.1
569.41833	1.3
570.42102	0.3
654.27271	0.3
673.34204	0.9
691.35468	2.3
692.35986	0.4
801.51666	0.2
847.02496	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01741	0.6
68.99677	2.1
69.03324	0.9
70.65337	0.5
70.65678	0.7
71.01253	38.9
72.01577	0.4
72.99187	2.6
73.02819	4.8
75.00745	6.7
83.01262	5.3
85.02818	17.6
85.99963	1.0
86.03138	0.5
87.00747	7.0
87.07997	0.3
89.02318	14.4
93.03320	0.4
95.01267	5.6
96.95859	1.1
97.02823	1.5
99.00753	16.2
101.02322	17.5
111.00773	0.7
112.01508	0.6
113.02332	15.7
115.03904	0.4
119.03396	4.5
125.02322	0.7
125.85038	0.4
129.01817	0.5
131.02470	0.5
131.03398	5.9
132.03688	0.5
139.00226	1.1
143.03412	1.7
149.04489	0.4
157.01326	0.9
159.02861	1.4
161.04471	8.8
167.10329	0.3
179.05544	2.7
185.30405	0.4
191.05496	1.2
221.06598	9.0
263.07712	1.5
409.34811	2.0
453.33530	3.2
455.35025	0.8
479.38995	0.9
523.37811	3.3
524.38281	0.5
567.37103	1.2
595.35828	0.8
613.37341	1.4
911.50305	0.7
937.48511	2.7
938.47937	0.7
955.49030	100.0
956.49396	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6861
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53078	0.4
81.02886	0.5
81.03326	6.3
83.04895	16.3
84.05244	0.4
87.50893	0.3
88.91563	0.3
93.03323	0.7
96.61048	0.2
96.95855	0.4
100.28603	0.3
103.77967	0.3
108.04440	0.6
125.07058	1.0
126.05468	0.4
134.03571	0.4
135.04379	0.4
143.08142	0.4
151.00436	0.3
173.04391	0.5
191.05521	1.3
207.15002	1.3
224.17616	2.5
225.16032	10.1
227.44449	0.3
242.18674	1.0
309.21774	0.9
324.26654	0.6
333.23071	0.6
341.29132	1.2
367.27075	0.9
385.27896	0.3
433.31882	1.4
450.34442	1.2
451.32944	8.5
452.33133	0.9
543.03473	0.3
550.43256	0.7
565.45490	0.4
567.45837	0.6
593.43762	0.6
659.48853	0.3
677.49829	2.4
678.49518	0.6
776.60339	0.4
885.65540	0.8
903.66473	100.0
904.66791	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01753	0.5
68.29569	0.2
68.43929	0.2
68.99675	1.7
69.03307	0.6
70.00021	0.3
71.01253	20.0
71.33568	0.6
72.99178	2.4
73.02807	1.7
75.00745	15.3
83.01252	2.2
85.02820	8.0
85.99975	0.3
87.00745	1.5
88.98695	1.5
89.02316	7.4
95.01262	4.0
96.95900	0.4
97.02847	0.3
99.00759	15.5
101.02320	9.3
111.00695	0.3
112.01517	0.4
113.02332	6.7
115.00253	0.7
119.03381	2.7
129.01852	0.3
131.03374	0.3
135.04349	0.3
139.00249	0.5
149.04507	0.2
157.01360	1.4
161.04494	0.4
163.46538	0.3
177.02005	0.3
185.00899	0.4
191.05496	0.9
234.45367	0.3
250.11804	0.3
437.34372	0.6
453.33743	1.4
455.35168	3.6
456.35522	0.6
497.36575	1.6
498.37234	0.5
518.45148	0.3
523.37885	5.1
524.37994	0.9
551.37128	0.8
552.37195	0.3
569.38446	8.1
570.38654	1.2
587.39404	1.9
588.39380	0.4
613.37372	2.4
614.37543	0.7
659.41528	0.7
731.43530	1.3
732.43842	0.4
743.21179	0.3
775.42499	0.6
793.43774	7.4
794.44214	1.5
955.49030	100.0
956.49365	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.491
Annotation	Unknow
Peak:m/z	Relative Intensity
67.35904	1.6
69.03345	2.3
70.13465	5.4
71.01258	18.7
71.04886	2.7
72.99168	2.8
73.02806	4.9
83.01250	1.6
83.72868	1.6
85.02794	3.3
87.00759	5.9
89.02310	6.4
97.00125	1.7
97.02840	10.4
97.06422	1.8
98.19802	2.3
99.00756	18.9
101.02318	10.5
109.06469	2.3
113.02336	6.1
116.92738	5.1
125.02338	5.3
125.09615	3.8
136.05177	2.0
142.02631	2.4
145.10185	1.6
163.11238	10.6
181.12271	19.7
191.05595	2.2
199.13394	3.3
207.10205	58.7
208.10527	2.8
223.13280	1.9
225.11269	82.7
226.11580	4.2
243.12357	29.5
277.21713	47.9
317.16031	3.6
370.14633	1.8
397.13513	10.2
488.67679	1.6
605.24475	27.4
606.24988	2.1
623.25531	26.2
624.26208	1.9
883.46954	100.0
884.47412	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
67.35548	3.4
71.01266	27.4
71.53580	5.1
83.01270	7.5
85.02845	6.3
87.00740	9.9
89.02318	26.3
97.02834	4.9
101.02299	24.9
102.47261	3.8
113.02323	12.8
113.09601	10.3
116.92776	4.4
119.03358	8.1
125.02364	9.2
125.11452	4.4
135.30965	3.6
143.03326	3.9
161.04506	5.2
179.05489	6.3
209.11777	6.8
235.08273	12.0
255.23245	54.4
256.23621	19.0
277.21689	4.8
293.21158	43.6
294.21655	17.2
305.08972	6.2
397.13470	100.0
398.13971	34.0
415.14682	30.5
416.14743	9.3
647.68884	4.4
654.38007	5.2
687.21533	4.5
811.34705	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01259	34.4
71.52829	27.1
89.02302	23.6
116.92750	40.4
125.73775	24.5
151.33144	20.4
176.61275	24.2
191.05533	30.8
209.11792	100.0
277.21729	69.4
278.22086	29.7
287.75790	24.8
289.18130	43.9
290.07361	27.3
298.37860	22.5
397.13727	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.61
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	1.0
70.10202	0.8
71.01252	15.2
72.01578	0.2
72.99158	1.5
73.02821	2.0
75.00727	0.4
78.95778	0.2
81.03310	0.6
81.81342	0.2
83.01243	1.4
83.04901	0.3
85.02820	3.6
85.99966	0.3
87.00738	3.5
89.02318	12.1
93.03333	0.2
94.75786	0.2
95.01250	1.1
97.02820	2.7
97.06456	0.6
99.00767	0.8
101.02320	10.5
103.03857	0.2
109.02919	0.2
111.00744	0.3
111.04403	0.6
113.02332	5.9
113.08938	0.2
113.09602	1.6
115.03911	0.4
119.03392	3.4
124.01540	0.3
125.02335	5.7
127.03848	0.2
131.03380	0.7
133.04953	0.5
139.03838	0.3
141.01767	0.3
143.03406	2.3
159.51765	0.2
161.04471	3.0
169.04982	0.4
177.12697	0.3
179.05531	2.7
179.14360	0.6
181.12228	0.6
191.05466	0.4
195.13832	14.8
196.14188	1.0
217.07079	0.3
221.06660	1.0
235.08192	5.4
245.06667	0.3
251.23808	0.3
253.09181	0.9
255.23267	37.2
256.23572	2.3
263.07468	0.4
277.09308	0.4
277.21698	13.4
278.22037	1.4
287.07700	1.7
295.22769	100.0
296.23129	8.9
296.94720	0.2
305.08786	2.6
319.77332	0.2
323.09906	0.9
328.79227	0.2
379.12350	0.5
397.13480	61.7
398.13785	4.3
415.14548	18.8
416.14719	1.5
589.56677	0.2
653.37555	4.6
654.38025	0.8
786.38800	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99682	1.9
69.03333	1.9
71.01253	41.6
72.99176	4.2
73.02817	5.9
75.00761	8.9
75.01120	1.9
75.16820	1.1
83.01261	6.3
85.02822	20.2
87.00739	6.2
89.02310	14.1
95.01251	6.4
96.95866	4.4
97.02831	1.6
98.20638	2.9
99.00764	15.8
101.02322	18.2
113.02331	16.4
119.03400	4.3
131.03392	5.7
159.02861	2.2
161.04459	9.4
167.37990	1.4
174.88879	2.6
179.05534	3.0
191.05446	3.0
203.77983	1.3
207.10320	1.5
209.11737	3.7
221.06667	8.3
223.13507	1.4
309.20737	2.4
397.13892	2.1
453.33948	2.8
521.36224	3.6
935.46643	2.8
953.47443	100.0
954.47839	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32848	17.3
71.01254	20.9
73.02805	2.2
85.02823	6.1
87.00753	5.4
89.02321	9.1
96.95932	2.2
97.02828	9.5
97.06508	2.6
97.23499	2.0
99.00751	17.8
101.02348	12.4
109.06437	11.9
109.23725	1.8
113.02323	7.3
113.79951	2.1
114.24496	2.0
116.92751	2.9
119.03394	3.0
125.02346	4.8
125.09645	3.4
142.02652	2.8
163.11143	10.3
168.76428	2.0
168.87466	1.9
181.12303	18.2
191.60675	2.3
207.10208	55.5
208.10611	2.6
209.11754	4.6
225.11250	71.6
226.11578	5.1
243.12415	19.2
255.23257	62.9
256.23544	4.0
263.07758	2.4
379.12183	3.8
397.13623	17.1
412.59610	2.2
415.14713	3.5
446.45471	2.6
605.24396	19.8
606.25220	2.7
623.25330	9.6
861.48602	100.0
862.48737	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01751	0.9
68.99690	1.8
69.03324	0.8
69.16302	0.3
69.27496	2.6
69.27909	0.7
71.01254	21.3
72.99181	3.3
73.02813	1.0
75.00748	2.9
78.95776	2.0
83.01261	3.7
85.02828	10.3
87.00732	1.1
89.02325	12.5
93.03317	0.6
95.01270	6.6
96.95890	9.8
96.96810	1.8
97.02815	1.4
97.71580	0.3
98.19744	0.5
99.00760	4.1
101.02322	8.0
109.02796	0.5
111.00750	0.4
112.01545	1.7
113.02335	13.3
119.03400	2.8
121.02854	0.4
131.03369	0.5
139.00256	0.9
157.01303	1.3
163.59491	0.3
191.05461	1.0
209.11887	0.3
437.34302	1.0
453.33698	3.5
454.34094	0.4
455.35275	5.9
456.35678	0.8
523.38080	1.0
537.35687	2.0
538.36493	0.4
549.35858	2.3
551.37476	3.1
552.37628	0.6
569.38586	3.3
587.39886	0.6
613.37476	0.5
683.42346	0.4
745.42047	0.9
793.43176	0.7
809.33795	0.4
862.79083	0.4
925.48022	100.0
926.48370	19.4
934.20038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
65.53242	21.7
71.53566	34.2
116.92724	100.0
149.62047	22.7
196.70151	24.4
354.59109	24.3
481.37488	28.2
653.73993	25.9
894.24036	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01245	10.7
71.53191	6.1
75.57581	5.1
78.95827	4.7
89.02301	6.3
99.70229	5.1
99.92416	6.8
116.92747	100.0
129.02119	4.1
209.11751	13.2
247.86856	4.8
269.17477	16.4
276.99551	5.1
277.21649	18.6
289.17984	5.7
397.13184	14.2
415.14294	5.6
573.62158	5.2
829.78601	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01764	4.0
69.03326	2.1
71.01254	8.3
73.02821	1.3
75.56678	0.7
75.93169	0.5
77.78867	0.6
81.03342	1.2
83.01237	0.6
83.04883	1.2
85.02816	4.5
87.00768	6.0
87.01236	1.2
89.02326	1.4
93.03335	31.8
94.03626	0.7
95.01248	0.8
96.95888	2.6
99.00752	0.8
101.02351	3.0
106.79442	0.6
108.02056	2.7
109.02856	1.3
111.00694	1.0
111.04391	4.1
111.48730	0.7
113.02310	3.0
121.02841	2.3
122.03636	1.1
122.81285	0.6
123.00732	0.9
124.01549	7.2
125.02354	3.7
126.03125	2.4
127.03904	1.6
129.01816	1.1
133.02841	4.8
134.03638	14.3
135.04414	100.0
136.04797	2.9
137.02348	2.4
139.03960	0.9
146.05714	0.7
150.03116	4.9
151.03909	13.8
155.03424	0.7
160.01559	1.4
161.02368	2.5
161.04453	1.3
162.03052	0.8
163.03850	0.8
173.04480	9.0
177.01872	1.5
178.02702	1.0
179.03418	24.3
180.03981	1.9
191.05547	24.5
194.02145	0.7
209.11858	0.9
229.08572	0.7
257.08130	4.2
271.01004	0.6
275.09262	1.5
290.07907	0.9
297.58069	0.7
300.54410	0.7
306.07474	1.6
307.08234	8.7
308.08984	21.7
309.09473	1.0
323.07663	1.2
351.07193	1.7
352.07971	51.3
353.08414	3.8
381.22992	0.6
399.23715	3.4
399.28287	0.7
441.24789	3.9
449.14529	50.9
450.14752	5.8
463.94629	0.8
715.77222	0.7
825.83350	0.7
845.76361	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29020	0.3
69.29421	1.6
71.01253	7.8
96.95876	0.3
101.06002	0.2
116.92736	0.3
127.07558	1.1
135.04475	0.2
148.05125	0.3
151.07559	0.7
163.11267	0.2
164.08328	1.0
177.09132	3.7
178.09401	0.3
190.09872	0.3
192.11478	7.0
193.12051	0.8
205.10347	0.2
205.12263	3.4
206.12712	0.2
206.68716	0.2
207.13818	1.9
217.08691	0.4
218.09447	2.5
220.14638	38.8
221.15408	100.0
222.15738	7.2
235.13367	1.9
236.10498	91.5
237.10884	6.6
249.18530	0.4
253.14391	0.3
293.17593	58.5
294.17920	5.0
397.13644	0.6
649.24420	0.2
773.05176	0.2
937.96204	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
68.26836	1.1
69.03323	2.8
71.01257	19.9
71.54299	1.7
72.99179	1.6
73.02808	3.6
75.00757	1.4
78.95779	1.7
80.02560	1.8
81.03316	3.1
83.01258	2.7
83.04884	6.3
85.02809	5.6
87.00748	4.7
88.98685	2.2
89.02320	17.6
93.03323	2.5
95.04894	1.6
96.95896	1.8
97.02835	3.8
99.00747	1.7
101.02329	13.4
104.61275	1.0
109.06442	1.5
111.04395	1.0
111.08033	5.2
113.02322	8.4
119.03374	3.4
125.02347	5.5
129.53418	1.1
135.08009	1.0
137.09578	1.1
143.03365	2.1
161.04436	1.7
163.11171	4.9
165.12759	3.7
169.12283	3.0
171.10130	6.9
179.05460	3.6
181.12267	2.6
183.13719	1.5
191.05510	4.4
197.11758	26.6
207.10199	2.2
209.11768	100.0
210.12077	5.6
211.13313	4.6
221.06651	2.2
225.11263	4.9
227.12842	14.7
235.08141	4.5
251.16452	1.5
253.09195	2.0
275.20096	1.8
287.07602	1.8
291.19650	17.8
292.20029	1.4
293.21265	6.8
305.08615	1.9
309.20703	75.6
310.21027	5.2
379.12350	2.7
397.13474	41.2
398.13800	3.0
415.14615	15.3
589.25476	1.1
607.26184	2.4
660.22186	1.2
707.32635	1.2
772.24054	1.2
917.45721	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	3.1
71.01254	100.0
71.08624	3.8
72.99168	2.7
73.02813	3.6
76.64053	1.7
78.95794	2.5
83.01273	2.8
84.69821	1.8
85.02828	7.9
87.00758	7.3
89.02322	16.6
95.01279	3.4
97.02819	7.4
99.00751	5.9
101.02314	18.8
109.06470	6.7
113.02319	9.3
119.03394	6.6
125.02388	8.6
125.09600	4.1
127.11171	4.7
131.03401	2.1
134.25151	1.6
135.07985	2.1
143.03363	3.5
161.04480	4.7
163.11186	6.3
171.10178	62.1
172.10506	2.5
179.05527	7.4
181.12341	3.8
185.11603	1.9
199.09712	17.4
199.13226	2.3
201.11249	28.6
207.10199	25.5
209.11819	4.9
210.12088	1.9
221.06616	4.7
225.11281	22.4
235.08195	5.8
243.12334	3.2
253.09357	1.9
277.21719	62.8
278.22079	5.2
305.08838	2.6
379.12405	6.8
397.13440	30.2
398.13766	2.7
415.14636	10.0
455.81628	1.7
540.35706	2.3
605.24945	2.8
623.26263	4.2
754.00311	1.9
756.00586	2.0
857.44141	2.5
858.45135	2.2
883.47186	13.2
884.47369	4.4
901.47534	3.3
919.49133	15.8
920.48853	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.491
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74520	1.1
69.03307	1.9
71.01255	100.0
72.99193	2.5
73.02823	5.1
78.95762	2.8
83.01251	3.9
83.04882	2.5
85.02828	4.3
87.00759	5.5
89.02322	19.9
95.01293	1.7
96.95899	1.9
97.02835	4.7
99.00750	2.2
101.02308	16.5
109.02860	1.5
109.06469	5.1
111.04384	1.6
113.02305	11.4
113.88592	1.3
116.92718	3.1
117.58694	1.2
119.03409	4.7
125.02331	5.8
125.09628	3.1
128.69374	1.3
143.03380	4.2
155.10640	1.7
161.04480	4.0
161.09676	1.6
163.11183	4.0
171.08769	2.9
171.10188	48.6
171.11667	3.2
172.10559	2.2
177.09106	1.3
179.05498	4.6
181.12248	2.3
191.05522	4.4
197.11810	1.7
199.09682	11.8
199.13194	1.7
201.11261	15.2
207.10185	19.1
209.11781	4.1
221.06664	1.7
225.11301	15.5
235.08104	6.6
243.12303	1.9
277.21707	69.0
278.22025	5.1
305.09045	2.1
379.12411	3.7
397.13538	39.0
398.13806	4.3
415.14761	9.5
605.23871	1.7
623.25732	2.4
857.46722	2.5
883.47052	10.6
884.47614	4.5
901.48523	3.8
919.49274	18.4
920.49780	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
66.88721	6.7
71.01241	21.1
71.52745	11.7
71.53188	10.2
78.95757	11.7
84.27166	6.9
89.02313	12.3
96.95886	27.6
101.02289	8.7
113.02318	8.3
116.92751	8.4
183.94920	8.5
191.05508	19.5
200.78995	6.9
201.11295	50.5
209.11720	19.3
225.11307	15.2
243.12180	9.9
277.21609	13.9
293.21298	8.3
338.04163	7.5
397.13379	9.4
486.01807	9.0
668.73608	8.2
730.85162	9.1
873.70721	10.7
919.48529	13.0
920.49310	100.0
934.92224	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99684	3.0
69.03327	1.2
69.98077	2.8
71.00858	0.9
71.01256	18.9
72.99179	2.9
73.02810	2.7
75.00742	4.3
78.32043	0.8
83.01253	2.4
85.02824	12.4
87.00772	1.4
89.01910	0.8
89.02325	9.1
95.01274	6.8
96.95895	1.7
97.02827	1.5
99.00737	6.4
101.02332	2.5
103.03896	0.8
107.37279	0.7
111.00744	0.9
112.01550	1.3
113.02322	11.3
116.92751	3.3
132.58011	0.8
139.00247	1.8
157.01360	1.4
190.87099	0.9
191.05515	1.6
197.11778	1.0
209.11737	1.2
222.25552	0.8
306.65952	0.9
309.20642	1.7
337.15338	0.8
407.32669	0.9
437.34109	1.5
446.20905	0.8
453.33557	7.1
455.35376	7.6
456.35263	1.1
513.73907	0.9
523.37885	2.6
525.25232	0.9
526.72638	1.0
537.35852	3.2
549.36060	1.2
551.37695	4.1
569.38495	2.9
620.40271	0.9
909.48523	100.0
910.48944	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03828	0.3
69.51896	0.1
71.01237	0.1
71.24831	0.2
73.02818	0.1
79.05383	0.2
87.00765	0.1
89.03844	0.6
93.03346	0.5
95.04899	0.2
101.02293	0.1
105.03335	0.7
107.04913	0.2
112.98681	0.2
123.04416	0.8
133.02826	1.1
135.04401	0.5
151.03912	2.7
153.01826	0.7
161.02342	11.7
162.02713	0.5
165.05544	0.1
176.04729	0.3
177.01723	0.2
177.05533	0.2
178.02658	0.5
179.03412	61.7
180.03752	2.7
191.05510	0.5
192.04288	0.2
193.04910	0.9
194.05771	50.1
195.06100	2.2
207.06555	0.1
208.07465	0.2
209.08124	100.0
210.08458	4.8
293.24634	0.1
353.12350	0.4
371.13522	0.3
413.14505	19.7
414.14902	2.0
525.88501	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03838	0.5
70.93089	0.4
71.01248	0.2
79.05425	0.2
79.95632	0.2
80.05746	0.2
85.02815	0.3
87.00734	0.3
89.03848	0.8
93.03337	0.7
95.04884	0.4
96.95902	0.2
97.02863	0.2
105.03326	0.8
107.04917	0.3
110.51431	0.1
112.98732	0.1
123.04407	1.0
133.02852	1.4
135.04399	0.6
137.02237	0.1
151.02678	0.3
151.03903	3.3
153.01828	0.7
157.46996	0.2
161.02347	11.8
162.02701	0.5
163.04041	0.2
175.03920	0.3
176.04680	0.4
177.01805	0.3
177.05493	0.3
178.02670	0.8
179.03418	67.5
180.03755	2.6
191.05571	1.6
192.04330	0.2
193.04985	1.1
194.05774	54.8
195.06071	2.3
205.58257	0.2
207.06537	0.4
208.07365	0.6
209.08131	100.0
210.08458	4.6
244.82475	0.2
251.09303	0.2
253.85480	0.2
297.80374	0.2
303.60034	0.2
353.12439	2.9
354.12973	0.3
371.13467	1.3
413.14505	24.7
414.14813	2.2
478.63757	0.2
559.46716	0.2
835.24554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84650	0.4
65.00211	0.6
71.53416	0.6
81.55939	0.5
96.95908	0.5
107.01292	0.6
124.13449	0.5
151.00276	3.3
163.00284	1.3
178.99765	2.3
190.02716	0.8
191.05525	1.7
201.58067	0.5
216.04195	0.4
222.18094	0.5
226.02704	3.1
227.03333	1.3
243.02974	8.5
244.03383	0.6
254.02225	3.5
255.02943	3.5
271.02472	37.3
272.02933	3.3
299.01917	1.2
300.02731	48.1
301.03421	9.9
302.04007	0.7
343.04529	1.2
391.50546	0.5
462.08243	0.5
463.08813	100.0
464.09100	10.1
485.69812	0.5
547.39209	0.5
785.33972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71667	4.8
71.01256	1.2
72.61721	0.6
75.88204	0.7
78.95774	34.8
96.96824	2.9
116.92713	1.0
118.78067	0.6
152.99487	52.9
153.99742	1.0
171.00543	15.0
187.04192	0.6
223.13353	1.2
227.03278	2.4
245.04277	59.4
246.04681	1.7
253.21687	24.2
254.22006	2.1
280.86145	0.7
397.13672	1.3
433.23499	2.5
481.25723	100.0
482.26068	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53684	0.5
84.86256	0.4
107.01248	0.4
108.02029	0.7
135.00793	0.5
139.66138	0.3
148.01529	0.7
151.00275	0.8
163.00262	1.2
199.03870	0.3
211.04051	0.4
211.69940	0.4
216.04112	0.6
227.03464	1.1
243.02959	9.1
243.31259	0.4
244.03709	2.3
254.02211	1.2
255.00252	0.8
255.02957	15.9
256.03476	1.4
259.06082	1.0
271.02472	30.6
272.03094	4.2
272.15533	0.4
287.05649	1.6
299.01996	1.1
300.02740	39.4
301.03012	2.5
315.05093	100.0
316.05408	5.2
395.00754	74.2
396.01059	5.0
481.00266	0.4
648.11462	0.4
787.47870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03822	1.2
67.01762	10.0
69.03333	3.1
70.55283	1.6
71.01257	3.9
73.29009	0.5
81.03331	2.1
83.04909	1.2
85.02827	2.0
87.00752	13.4
89.03839	0.9
91.05395	0.4
93.03334	71.1
93.91929	0.5
94.03667	2.2
95.04948	0.6
96.95884	1.6
97.02826	0.5
99.00748	1.6
99.04386	0.7
101.02324	0.6
104.59032	0.5
105.03337	1.2
109.02824	0.9
111.03727	0.9
111.04413	9.2
113.02321	1.2
115.03872	0.5
123.04398	1.4
125.02248	0.5
129.01785	1.5
133.02831	2.9
134.03641	5.8
135.04446	5.0
135.43353	0.4
137.02394	0.5
143.03375	0.7
151.03926	2.7
153.01822	0.9
155.03394	2.4
160.01582	2.1
161.02354	10.4
162.03102	2.1
173.04472	31.6
174.04797	1.3
177.01921	1.1
178.02667	0.9
179.03415	56.4
180.03664	2.3
187.07733	0.6
191.05537	16.9
192.05928	0.9
193.05077	0.8
194.05769	52.0
195.06094	2.6
203.01863	0.5
209.08133	100.0
210.08499	6.1
230.13615	0.6
231.10190	3.0
253.06282	0.5
257.08105	1.5
266.07013	0.6
275.09244	5.2
280.08652	0.5
307.08456	0.5
308.09082	0.7
351.07196	0.8
352.08047	1.2
353.12140	1.1
371.13409	0.8
413.14523	25.0
414.14886	3.0
449.14508	85.5
450.14850	11.1
693.80035	0.5
712.13293	0.5
799.64111	0.7
831.30725	2.0
839.87891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	9.6
69.03326	3.4
71.01257	2.7
71.10738	1.5
71.11127	0.6
71.55856	0.7
80.55614	0.8
81.03331	2.2
83.04881	1.5
85.02824	2.0
87.00747	11.6
93.03334	73.7
94.03655	2.0
96.95898	0.9
99.00751	1.6
99.04383	1.4
100.44537	0.6
105.03357	1.3
108.94920	0.7
111.04388	9.0
113.02338	1.3
114.81644	0.8
115.03848	0.8
121.43695	0.6
123.04451	0.7
123.12424	0.6
129.01816	1.0
133.02869	3.2
134.03629	4.3
135.04425	4.0
148.02542	0.7
151.03896	2.4
155.03407	2.1
160.01556	2.7
161.02330	8.5
162.03117	2.0
163.03926	1.4
173.04459	30.1
174.04816	0.8
177.01761	0.7
178.02654	1.1
178.06274	1.7
179.03416	57.0
180.03743	2.7
191.05539	23.5
193.04973	1.4
193.08607	3.0
194.05768	46.5
195.06046	2.1
209.08131	100.0
210.08481	4.5
231.10295	4.1
231.12218	0.7
257.08127	1.4
270.44742	0.6
275.09232	7.6
299.02036	1.2
351.07108	1.5
352.08051	0.8
367.04279	0.7
413.14529	24.3
414.14600	1.2
443.25378	0.8
449.14505	84.9
450.14914	8.7
451.14108	1.0
617.43774	0.8
831.30786	1.1
863.32983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.6486
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01752	0.3
69.03326	0.6
71.01270	0.3
71.04878	0.2
71.52891	0.2
72.69479	0.2
76.44377	0.1
81.03327	0.8
83.04899	2.6
84.02037	0.2
84.70822	0.1
85.02829	0.4
93.03409	0.2
97.02845	0.3
97.06486	0.2
99.08096	0.1
117.72975	0.2
125.09631	1.5
127.11172	2.2
134.03574	0.2
135.04390	0.2
141.01830	0.3
153.12787	0.2
155.14336	0.6
156.13498	0.2
165.12788	0.4
165.56294	0.2
167.14319	1.6
171.10205	2.2
183.13837	1.2
185.00864	0.5
187.07536	0.2
191.05457	0.3
193.12236	0.5
199.13356	0.3
203.01900	0.2
209.11752	2.1
211.13338	8.2
212.13731	0.4
224.17625	0.4
225.16042	2.7
226.16614	0.2
227.12871	0.2
229.14404	100.0
230.14752	5.2
231.10292	0.2
275.09329	0.5
302.00998	0.2
331.65570	0.2
367.27167	0.3
370.00500	0.2
450.34409	0.4
451.32782	1.7
461.11050	0.4
461.23767	0.1
550.43262	0.3
659.48730	0.5
677.49689	32.6
678.50000	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	2.8
71.01252	22.0
71.04893	2.7
71.09061	2.7
72.99178	3.6
73.02816	4.5
79.95615	1.8
80.96393	2.6
81.03318	1.6
83.01290	1.4
85.02818	5.3
87.00742	4.9
88.98682	2.0
89.02312	14.1
97.02824	6.4
97.06488	2.3
99.00767	10.6
101.02328	12.5
109.06468	4.1
113.02316	5.4
118.94341	1.3
119.03400	2.2
119.39130	1.4
123.07993	1.7
125.02332	4.0
125.09590	6.8
135.08031	1.4
136.62608	1.5
161.04524	2.8
163.11179	4.2
171.10168	17.4
181.12285	9.5
191.05467	2.6
197.11714	1.9
199.09715	1.5
199.13318	7.1
201.11304	6.2
207.10205	27.1
209.11778	1.6
215.12721	2.1
225.11275	41.5
226.11661	1.6
227.65804	1.5
235.08163	3.7
243.12239	8.9
253.09190	1.7
277.21716	49.6
278.22025	4.3
305.09064	1.5
323.10175	1.5
329.39883	1.4
370.50983	1.5
379.12262	3.2
397.13406	17.7
398.13660	1.5
415.14578	4.0
605.24792	5.2
623.25500	2.5
883.47119	12.9
901.47949	100.0
902.48267	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
65.30970	0.6
69.03319	1.0
70.64117	0.7
70.64442	1.2
71.01253	16.7
72.99181	1.7
73.02814	1.9
75.00734	0.5
80.02557	0.7
81.03342	1.9
83.01262	1.4
83.04898	6.3
84.02029	1.3
85.02817	4.1
87.00764	3.5
89.02316	11.4
93.03326	1.6
95.01264	1.6
95.04917	0.6
96.95875	1.5
97.02831	2.1
99.00754	0.8
101.02323	11.1
109.02817	0.6
109.06441	0.8
111.04367	0.9
111.08029	0.7
113.02327	7.1
119.03351	3.0
119.97065	0.5
125.02330	4.9
125.05919	1.0
126.40433	0.5
135.04416	0.8
135.08032	0.8
143.03391	3.0
161.04544	2.7
163.11226	5.6
165.12743	3.0
171.10069	0.7
172.49194	0.5
179.05516	4.4
181.12236	1.1
183.10225	0.6
183.13777	1.4
185.04523	0.6
191.05579	2.8
191.10625	0.7
195.13788	5.5
209.11768	100.0
210.12122	5.8
211.13329	2.6
217.06975	0.5
221.06538	1.2
223.13348	3.9
224.13805	0.6
227.12863	12.1
228.13335	1.0
235.08173	4.9
235.17073	1.6
244.55580	0.6
251.13039	0.6
253.09222	0.7
254.18918	0.5
275.20148	7.5
287.07669	1.9
291.19699	0.7
293.21219	89.7
294.21552	7.9
305.08792	1.7
309.20712	1.2
323.09821	1.3
379.12512	3.6
397.13480	40.6
398.13889	2.6
415.14584	13.4
416.14764	1.2
522.30829	0.7
589.25146	0.8
607.26086	2.7
692.34607	0.8
747.02045	0.6
901.44598	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	2.6
69.25364	5.2
69.25799	8.1
71.01248	29.9
72.99170	4.3
73.02807	4.3
74.55408	1.2
75.00748	6.5
80.19351	1.1
80.96407	1.9
83.01265	3.6
85.02805	6.3
87.00741	8.3
88.98689	2.5
89.02319	23.2
93.03329	2.4
95.01260	2.0
95.04879	2.1
97.02828	5.6
98.66793	1.2
99.00762	1.8
100.10155	1.4
101.02327	16.8
109.06464	4.6
110.03554	1.3
111.04425	1.3
113.02334	11.7
119.03387	4.6
125.02352	9.2
125.09570	1.6
127.11182	2.5
128.46591	1.5
134.62653	1.4
139.03870	1.7
140.58821	1.4
143.03409	4.6
161.04442	5.0
163.11194	5.1
171.10172	100.0
172.10539	2.9
179.05539	6.8
179.10744	1.6
185.11789	2.0
187.95403	1.5
189.09087	2.2
191.05460	3.2
197.11749	2.4
201.11249	7.4
202.11554	1.3
207.10205	12.9
209.11725	3.3
211.13197	1.4
215.12798	1.8
216.13387	1.5
217.07051	2.6
221.06625	2.3
225.11261	45.9
226.11546	2.7
235.08144	7.2
241.10936	1.6
243.12335	9.7
277.21704	72.3
278.22046	4.2
287.07825	2.6
293.21393	3.3
305.08734	2.0
323.09708	3.3
333.10303	1.3
367.93738	1.4
368.43228	1.3
379.12354	18.8
380.12479	2.0
397.13477	56.2
398.13977	3.9
415.14682	10.6
546.37683	1.5
551.23547	5.2
569.24628	4.9
605.24689	4.2
623.25336	9.7
675.35272	2.1
883.46973	7.8
884.46539	1.7
901.44885	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
68.24916	0.9
69.03305	1.3
71.01253	7.2
71.53350	1.2
73.02821	2.4
75.00799	0.9
79.95611	9.9
80.37243	0.8
80.96394	5.5
83.01276	1.0
85.02820	4.7
87.00737	1.3
89.02316	1.8
95.95133	1.6
96.95888	100.0
97.02824	1.5
99.00762	1.2
101.02325	5.0
101.09853	0.8
103.00237	3.9
113.02336	3.6
125.02352	0.8
138.96936	1.1
143.03380	1.0
164.98541	6.6
171.10303	1.1
180.98096	1.3
191.05566	3.5
209.11871	1.0
223.23996	0.8
225.00830	1.3
241.00145	2.7
245.41811	0.9
551.28949	4.9
593.29919	4.5
615.37732	2.9
633.38751	2.5
654.35938	1.0
664.45636	1.0
679.52197	1.0
693.40625	1.9
694.40479	1.1
731.36053	1.4
735.41479	1.1
773.36401	13.8
774.36774	2.9
777.40808	1.3
815.37372	17.9
816.37372	3.2
817.35986	4.7
859.36316	20.5
860.36853	4.9
885.34369	1.1
903.35162	23.6
904.36139	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03848	0.6
67.01760	11.6
68.02088	0.4
69.03328	3.8
70.00786	1.3
71.00893	0.4
71.01256	3.9
73.02801	0.5
81.03332	2.8
83.01224	0.3
83.04908	2.1
85.02823	1.8
87.00751	15.8
88.01106	0.3
93.03335	86.3
94.03671	3.6
95.01261	0.5
95.90934	0.3
96.95887	1.2
97.02797	0.4
98.12890	0.3
99.00745	1.6
99.04372	1.4
101.02281	0.6
105.03333	0.9
109.02845	0.9
111.04405	10.8
112.04749	0.3
113.02329	1.7
113.57076	0.2
115.03911	0.7
117.03362	0.3
123.04347	0.4
124.01469	0.3
124.20206	0.3
125.02328	0.4
127.03885	0.5
129.01839	1.8
132.02095	0.4
133.02869	2.6
134.03632	5.4
135.04420	6.0
136.04744	0.4
137.02348	0.5
143.03372	0.8
145.02893	0.3
149.02261	0.3
151.03854	0.4
153.01787	0.4
155.03407	2.2
160.01599	1.1
161.02332	0.4
162.03145	1.3
173.04469	36.6
174.04793	2.0
177.01778	0.4
178.02710	0.4
179.03433	0.9
180.03995	0.3
183.68575	0.3
187.07578	0.6
191.05539	13.1
192.05838	0.6
203.01759	0.3
231.10231	3.1
242.27870	0.3
257.08112	0.9
275.09268	5.3
276.09644	0.8
308.09009	0.9
351.07153	0.7
352.08057	1.3
353.08334	0.4
449.14505	100.0
450.14859	15.9
451.15192	2.7
659.38733	0.3
823.79584	0.4
899.31592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60619	0.6
69.03341	4.7
71.00893	1.2
71.01257	13.6
71.04878	0.7
72.99175	3.0
73.02824	1.7
74.44183	0.6
75.00739	1.8
75.81500	0.7
78.95753	0.7
80.96397	0.9
83.01222	1.8
83.60414	0.7
85.02824	2.4
87.00745	2.9
88.98670	2.9
89.02312	8.1
95.01254	1.2
97.02826	2.9
98.19744	1.2
99.00745	2.4
101.02322	8.2
113.02355	4.0
119.03381	1.7
120.80047	0.7
123.08012	1.2
125.02328	2.3
125.09602	2.8
143.03383	1.0
151.11185	2.9
153.12689	0.8
161.04482	0.8
161.09639	2.4
169.12195	1.4
179.10693	5.2
191.05600	0.7
193.28519	0.6
197.11755	32.6
198.12123	1.6
207.10268	1.0
209.11736	0.9
221.06628	0.8
223.09712	0.9
229.48885	0.9
235.08211	1.1
241.10777	1.7
277.21719	31.5
278.22049	3.1
293.21094	0.8
293.29388	0.7
323.31229	0.7
397.13489	3.0
415.14368	0.9
577.75012	0.8
899.46399	100.0
900.46753	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20853	0.5
68.99705	0.7
69.03317	4.6
71.01253	14.4
71.04868	1.6
72.99162	2.6
73.02824	2.9
75.56781	0.5
83.01235	2.1
83.04876	0.7
85.02841	3.2
87.00743	3.2
88.98669	0.9
89.02315	10.6
95.01241	1.0
97.02823	2.6
97.06473	0.8
99.00742	1.5
101.02322	8.5
105.01810	1.5
111.04379	0.8
113.02332	4.1
119.03388	2.2
121.02835	0.6
123.08018	1.1
125.02313	2.2
125.09582	1.6
131.03401	0.7
136.85823	0.6
143.03407	1.2
151.11195	2.3
153.12750	1.5
161.04425	1.6
161.09659	3.1
179.05505	0.7
179.10681	4.7
191.05530	1.1
195.10182	0.7
197.11768	57.3
198.12120	2.8
205.08582	1.1
209.11771	0.8
221.06532	2.4
223.09744	1.4
223.13136	0.8
235.08159	0.8
241.10747	5.7
277.21713	21.1
278.22043	2.2
279.23340	1.0
295.22769	0.8
323.09689	0.7
326.59665	0.7
341.10907	1.0
344.21796	0.7
378.17169	0.6
397.13580	4.5
415.14426	0.8
421.25558	0.7
447.70642	0.6
621.24200	0.9
639.25580	0.8
830.30627	0.6
881.45258	1.5
899.46454	100.0
900.46802	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01763	8.9
69.03328	3.4
69.20834	0.4
69.34056	0.8
69.34453	3.1
71.01257	3.0
71.04890	0.4
78.95765	0.3
79.84930	0.3
81.03326	2.5
83.04886	1.9
85.02816	1.9
87.00753	13.2
93.03335	72.6
94.03654	1.6
96.95876	1.0
99.00750	1.4
99.04397	1.1
101.02303	0.6
106.60313	0.3
109.02827	0.6
110.85776	0.3
111.04401	9.4
113.02329	1.2
125.02334	0.5
127.03882	0.5
128.85027	0.3
129.01825	1.7
133.02856	2.0
134.03619	4.5
135.04424	3.4
137.02359	0.7
149.23997	0.4
151.00246	0.9
153.01828	0.5
154.35741	0.4
155.03401	1.6
161.02345	1.0
162.03114	1.3
173.04472	30.2
174.04808	1.4
179.03427	0.9
180.69977	0.4
191.05540	16.0
192.05844	0.5
231.10229	2.9
257.08398	0.5
275.09238	4.5
308.08643	0.4
334.56586	0.4
351.07635	0.8
351.12268	0.7
352.07941	0.7
449.14511	100.0
450.14825	10.0
452.47690	0.4
463.10748	0.5
536.92529	0.4
581.17444	0.5
705.21619	0.8
800.21466	0.6
813.74457	0.4
879.28314	0.5
897.28040	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01763	8.9
69.03328	3.4
69.20834	0.4
69.34056	0.8
69.34453	3.1
71.01257	3.0
71.04890	0.4
78.95765	0.3
79.84930	0.3
81.03326	2.5
83.04886	1.9
85.02816	1.9
87.00753	13.2
93.03335	72.6
94.03654	1.6
96.95876	1.0
99.00750	1.4
99.04397	1.1
101.02303	0.6
106.60313	0.3
109.02827	0.6
110.85776	0.3
111.04401	9.4
113.02329	1.2
125.02334	0.5
127.03882	0.5
128.85027	0.3
129.01825	1.7
133.02856	2.0
134.03619	4.5
135.04424	3.4
137.02359	0.7
149.23997	0.4
151.00246	0.9
153.01828	0.5
154.35741	0.4
155.03401	1.6
161.02345	1.0
162.03114	1.3
173.04472	30.2
174.04808	1.4
179.03427	0.9
180.69977	0.4
191.05540	16.0
192.05844	0.5
231.10229	2.9
257.08398	0.5
275.09238	4.5
308.08643	0.4
334.56586	0.4
351.07635	0.8
351.12268	0.7
352.07941	0.7
449.14511	100.0
450.14825	10.0
452.47690	0.4
463.10748	0.5
536.92529	0.4
581.17444	0.5
705.21619	0.8
800.21466	0.6
813.74457	0.4
879.28314	0.5
897.28040	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86462	0.3
69.03304	3.5
71.01258	14.9
71.04910	0.7
71.53452	0.6
72.99168	1.6
73.02813	2.4
75.00739	0.5
79.23367	0.3
81.03328	0.8
83.01253	1.9
83.04897	0.6
85.02828	3.5
87.00749	4.4
88.98689	0.6
89.01772	0.6
89.02317	12.1
93.03329	0.5
95.01276	1.1
95.04889	0.6
97.02827	2.1
97.90123	0.3
99.00768	1.0
99.04432	0.4
101.02324	11.6
101.29103	0.3
109.02894	0.4
109.06490	0.6
111.04381	0.5
111.08023	0.4
113.02338	6.1
117.35028	0.3
119.03408	2.5
125.02335	3.8
125.09677	0.5
131.03380	0.9
141.01883	0.6
143.03380	1.7
149.09615	0.6
150.52765	0.3
161.04451	2.9
167.10692	2.7
171.10156	0.8
177.12764	0.7
179.05513	4.2
179.10725	0.9
179.14317	2.7
191.05524	0.6
195.13847	15.0
196.14276	1.3
205.12276	7.1
205.15903	0.4
211.13403	0.6
221.06612	1.5
223.13350	66.8
224.13718	4.3
225.14844	0.7
228.13715	0.8
235.08211	3.9
253.09279	1.1
256.13132	1.0
263.07831	0.6
265.21594	0.4
275.20096	4.8
275.22864	0.5
287.07733	1.0
293.21225	100.0
294.21555	9.0
305.08728	1.2
317.21350	0.5
323.09799	1.3
379.12405	2.7
397.13507	32.7
398.13916	2.5
415.14587	11.8
416.14828	0.9
499.34131	0.7
561.71265	0.4
603.26428	3.6
621.27649	9.0
622.28015	1.4
673.34283	1.4
691.35223	2.0
692.35608	0.6
897.47870	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
63.70361	0.2
65.03851	0.3
69.03338	0.3
71.01259	0.6
71.53627	0.2
85.02843	0.7
87.00768	0.6
89.03850	1.0
93.03326	2.3
95.04919	0.2
96.95930	0.3
97.02830	0.2
97.70117	0.2
99.83221	0.2
105.03339	1.1
107.04926	0.4
110.40495	0.2
117.03351	0.2
123.04416	1.0
133.02866	1.1
134.03712	0.3
134.12338	0.2
135.04424	4.0
137.02229	0.2
149.02348	0.3
151.03906	2.8
153.01807	0.6
161.02344	12.3
162.02673	0.4
163.03914	30.2
164.04182	1.2
173.04442	0.8
175.03889	0.2
176.04663	0.4
177.01860	0.6
178.02791	2.3
178.04617	0.3
178.06270	24.6
179.03410	65.7
180.03740	3.0
191.05531	2.4
193.05002	2.2
193.08621	36.4
194.05769	54.3
194.08861	1.8
195.06128	2.5
207.06567	0.4
209.08124	100.0
210.06572	0.3
210.08459	5.1
353.12390	0.4
371.13409	0.3
413.14499	19.1
414.14767	1.4
449.14554	1.2
450.14044	0.2
472.15195	0.2
792.79321	0.2
827.90363	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	5.1
63.14638	0.6
67.67539	0.6
69.03309	0.9
71.01254	16.6
71.08408	0.7
72.99171	1.5
73.02803	2.5
73.90748	0.6
77.39382	0.6
78.26032	0.5
78.45705	0.6
78.95772	2.9
83.01270	2.1
85.02807	3.4
87.00748	4.8
89.02319	13.5
95.01248	0.8
95.05912	0.7
96.95911	4.8
96.96828	1.2
97.02821	3.3
97.12314	0.6
99.00778	1.0
101.02319	12.4
111.04355	0.7
113.02336	6.9
119.03397	3.6
125.02335	5.7
127.11177	1.9
128.05067	0.7
143.03397	2.1
152.99509	3.1
153.09102	0.9
161.04424	3.3
171.00606	1.1
171.10184	100.0
172.10522	4.2
177.05405	0.7
179.05508	2.9
185.62790	0.6
196.59639	0.7
198.87373	0.8
209.11790	2.6
213.11482	0.7
217.07152	1.2
221.06648	1.2
233.28271	0.6
235.08197	6.0
245.04237	3.1
253.09428	0.9
253.21606	0.8
274.95877	0.7
277.21725	59.5
278.22006	5.8
279.23279	1.1
287.07748	2.5
305.08719	2.1
323.09781	1.4
379.12460	15.0
380.12796	1.2
397.13486	43.2
398.13821	2.9
415.14703	7.1
481.25735	5.8
551.23566	2.9
569.24585	3.7
657.34949	1.0
675.36011	1.7
889.48199	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	4.3
71.01257	0.8
72.99162	0.1
75.00754	0.3
77.79438	0.1
78.95774	0.7
79.95611	3.0
79.96085	0.2
85.02822	0.4
89.02322	0.2
95.01249	0.2
96.95887	100.0
97.95810	0.3
99.00747	0.4
101.02319	0.3
113.02299	0.1
113.92477	0.1
114.93301	0.4
116.92740	0.2
377.63907	0.1
388.59103	0.1
569.38531	0.1
613.37787	0.2
686.01392	0.2
774.74469	0.1
793.43829	4.5
794.43848	1.0
831.39130	0.2
891.36835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92728	0.6
67.01764	0.7
68.99671	2.2
69.03313	0.8
71.01254	16.3
71.52557	0.7
71.53060	0.8
72.99165	2.7
73.02827	1.1
75.00741	3.0
78.95776	0.8
83.01252	2.7
84.85795	0.6
85.02824	11.2
87.00755	1.0
88.98645	1.1
89.02316	10.7
93.03317	0.7
95.01264	6.0
96.95880	0.8
97.02839	1.5
99.00748	5.5
101.02305	1.8
112.01534	1.2
113.02340	15.0
116.92723	2.4
131.03410	0.8
139.00227	2.0
152.74843	0.6
157.01305	2.5
171.10229	0.8
191.05511	2.8
209.11792	0.7
211.13326	1.4
273.98294	0.7
279.58801	0.7
287.56183	0.8
299.59268	0.8
437.34448	1.2
453.33582	4.8
455.35281	8.9
456.35431	0.8
464.78842	0.8
497.36191	1.2
537.35767	2.3
549.35779	2.2
551.37494	4.3
569.38361	2.0
587.39526	0.8
745.41553	1.0
747.86060	0.8
763.42578	2.0
895.46942	100.0
896.47290	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4639
Annotation	Nostophycin
Peak:m/z	Relative Intensity
61.98703	41.2
65.39137	1.7
67.01765	1.9
69.03313	2.6
71.01255	18.8
71.53361	2.3
73.02830	2.8
73.24739	1.5
73.55643	1.7
75.00739	3.1
83.01270	3.1
83.04851	2.1
85.02818	5.2
87.00756	4.6
89.02303	9.8
93.03336	7.1
96.95961	1.8
97.02843	3.5
101.02322	11.3
113.02332	7.9
119.03416	1.9
125.02314	4.7
125.09605	3.5
125.86691	1.8
139.11118	2.2
141.12695	2.1
161.04431	2.0
167.10745	1.9
171.10165	3.9
179.05525	2.4
185.11749	61.1
186.12070	2.6
191.05515	6.0
196.63031	1.6
209.11734	7.8
211.13412	3.0
221.06589	2.6
227.12822	3.6
229.10796	3.2
277.21667	22.5
278.22055	2.4
279.23218	2.6
295.22839	2.8
360.63605	2.1
397.13522	8.7
404.77640	1.8
415.14502	3.1
886.93982	2.8
887.46490	100.0
888.46747	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	10.9
69.03329	1.4
71.01250	19.2
71.53771	0.7
72.99178	1.7
73.02834	3.1
78.95777	3.7
81.03332	1.0
83.01254	1.8
85.02824	3.3
87.00733	4.7
89.02317	14.1
93.03320	0.7
95.01268	1.2
96.95897	8.7
97.02807	3.1
101.02321	15.7
113.02334	8.5
119.03378	3.2
125.02345	8.9
125.09627	0.7
127.11176	2.5
143.03394	2.4
152.99487	2.5
161.04445	4.3
171.10178	100.0
172.10512	4.4
179.04016	0.6
179.05519	3.9
191.05537	0.9
217.07089	1.3
221.06561	1.1
235.08250	6.1
241.04753	0.7
245.04303	2.3
253.09215	1.1
253.21648	1.1
259.08237	1.0
277.21710	69.0
278.22095	6.0
287.07742	2.8
305.08810	3.0
319.22705	0.8
323.09497	0.8
379.12424	18.0
380.12885	1.5
397.13474	48.9
398.13718	3.2
415.14539	10.0
416.14673	0.8
481.25735	5.3
551.23383	3.2
569.24396	2.2
657.35114	1.6
675.35925	3.1
815.53046	0.8
889.47668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	1.9
68.99683	0.1
69.03330	1.0
70.28136	0.5
70.28542	0.3
70.74963	0.2
71.01253	13.5
71.40896	0.1
72.99174	1.1
73.02814	1.9
75.00748	0.5
79.95621	0.3
80.02551	0.8
81.03324	1.8
83.01250	1.7
83.04896	5.5
84.02036	0.9
85.02820	3.0
87.00752	3.4
89.02316	10.9
91.03908	0.2
92.20261	0.2
93.03331	0.2
95.01263	1.2
95.04900	0.7
97.02829	2.2
97.06441	0.3
97.49245	0.1
99.00754	0.7
101.02319	10.6
102.02663	0.2
105.21220	0.2
106.04044	0.2
107.03333	0.2
109.02816	0.3
109.06467	0.5
111.00756	0.2
111.04394	0.5
113.02329	6.2
114.02663	0.2
119.03380	3.1
121.02863	0.2
124.01563	0.2
125.02345	5.0
125.05965	0.4
125.09576	0.2
127.03946	0.2
131.03404	0.5
133.04964	0.3
134.89240	0.2
135.08049	0.5
138.55220	0.1
139.03915	0.3
141.01830	0.4
141.05360	0.1
143.03407	2.2
145.96706	0.2
149.04442	0.5
155.03436	0.2
161.04469	3.0
163.11197	3.9
164.11484	0.2
165.12762	2.7
167.03407	0.5
169.04997	0.2
179.05524	3.8
180.05943	0.2
181.12259	0.5
185.04405	0.2
191.05533	0.3
191.10678	0.9
199.06009	0.4
199.13358	0.3
207.10202	0.6
209.11768	100.0
210.12112	5.9
211.13344	0.3
217.07053	0.9
221.06564	1.5
223.13275	0.2
225.11263	0.9
226.11571	0.4
227.12834	11.6
228.13177	0.8
233.11835	0.2
235.08188	4.9
236.08464	0.2
245.06615	0.3
251.12955	0.9
253.09262	0.9
259.08261	0.4
263.07645	0.4
275.20163	0.3
277.21716	42.5
278.22064	3.9
287.07675	1.7
288.08154	0.2
299.14172	0.2
301.09372	0.2
305.08835	1.4
323.09869	1.1
361.11472	0.2
379.12451	5.5
380.12692	0.5
397.13480	32.1
398.13861	2.3
415.14572	8.1
416.14999	0.6
474.44943	0.2
589.25177	0.4
590.50525	0.2
607.26031	1.4
608.26178	0.2
625.26752	0.3
657.34814	0.2
675.35706	0.2
867.46252	0.3
885.47870	1.1
886.47644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	3.8
64.51553	0.2
68.99687	0.4
69.03326	1.2
71.01252	16.9
71.04929	0.2
72.99187	1.8
73.02822	2.3
75.00739	0.7
78.95767	0.2
80.02549	1.0
80.63319	0.2
80.96391	0.5
81.03320	1.7
83.01249	2.0
83.04900	5.9
84.02044	1.0
85.02817	4.1
87.00749	4.4
88.98676	3.8
89.01759	0.6
89.02321	12.5
93.03344	0.7
95.01253	1.3
95.04906	0.8
97.02843	2.9
98.20638	0.6
99.00738	1.0
99.04419	0.4
101.02325	11.9
102.02686	0.4
109.02803	0.4
109.06476	0.4
111.04383	0.5
113.02338	6.6
113.87638	0.3
115.03839	0.4
119.03391	3.8
123.00754	0.3
124.01531	0.4
125.02329	5.3
125.05930	0.3
127.03933	0.4
131.03406	0.5
133.04938	0.3
134.38193	0.2
135.08055	0.8
139.03957	0.3
141.01828	0.5
143.03397	2.3
145.04988	0.3
149.04460	0.3
153.52533	0.3
161.04477	3.4
163.11198	4.0
164.11475	0.3
165.12756	2.5
179.05525	3.9
181.08589	0.4
181.12273	0.7
191.05547	0.7
191.10739	0.9
199.06181	0.5
199.13196	0.4
207.10176	0.8
209.11771	100.0
210.12140	5.4
216.84340	0.3
217.07170	0.7
219.04982	0.3
221.06590	1.3
225.11256	0.4
227.12839	12.5
227.54648	0.3
228.13167	0.7
233.22632	0.3
235.08209	5.1
236.08397	0.4
251.12823	0.5
253.09248	1.1
263.07764	0.5
277.21716	52.1
278.22070	4.0
287.07819	1.4
291.23340	0.4
305.08795	1.8
319.22726	0.3
323.09814	1.0
361.11755	0.3
379.12433	6.3
397.13489	37.8
398.13788	2.2
415.14572	8.4
416.14917	0.8
589.24963	0.4
607.26428	1.1
608.27753	0.3
625.27606	0.3
675.36346	0.3
885.47467	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98676	2.9
69.03310	3.0
69.44098	1.5
69.44401	13.6
69.69617	1.6
71.01252	100.0
72.99179	4.4
73.02822	24.6
75.00745	2.7
83.01253	12.0
83.04870	2.4
83.69422	1.5
83.96719	1.5
85.02824	47.8
87.00741	6.9
89.02309	22.8
93.03315	3.1
94.54177	1.6
95.01257	7.5
96.95881	6.9
97.02810	2.8
98.19818	3.5
99.00753	12.7
101.02321	49.2
102.17717	1.7
104.45373	1.6
113.02334	39.6
119.03400	8.7
129.01848	1.7
131.03447	1.5
143.03397	3.8
159.02893	5.6
161.04456	33.2
173.04382	2.2
179.05501	5.9
191.05508	5.1
220.68385	1.5
226.01759	1.9
276.39127	2.0
315.18161	35.9
316.18738	1.8
357.19147	15.0
381.22858	7.1
399.23840	29.4
400.24420	3.5
434.13528	1.9
441.24905	38.1
442.25528	2.9
567.93451	1.8
728.38721	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	1.7
69.03316	0.7
70.91399	0.6
71.01252	14.1
72.99171	1.2
73.02814	2.3
75.00709	0.2
80.02554	1.1
80.67989	0.2
81.03320	1.5
83.01273	1.7
83.04897	5.2
84.02046	0.6
85.02821	3.5
87.00753	3.4
89.02319	12.5
90.02682	0.2
91.03892	0.3
93.03332	0.4
95.01264	0.7
95.04901	0.5
97.02826	2.4
99.00759	0.8
99.04369	0.4
99.90439	0.2
101.02325	10.4
102.02645	0.3
108.80506	0.3
109.02850	0.3
111.00769	0.5
111.04401	0.3
113.02334	6.6
115.03840	0.4
119.03389	3.0
121.02840	0.5
125.02337	5.7
125.05976	0.6
126.02646	0.2
127.03867	0.3
131.03386	0.7
133.04951	0.4
135.08049	0.5
136.56154	0.2
139.03915	0.6
141.01820	0.4
143.03409	2.4
147.11664	0.3
149.04509	0.4
161.04472	3.4
163.11192	4.2
164.11499	0.2
165.12753	2.4
167.03362	0.4
179.04013	0.4
179.05525	3.5
181.12212	0.5
191.05511	0.3
191.10663	0.9
193.93759	0.2
199.06059	0.5
199.13174	0.2
209.11771	100.0
210.12105	5.1
217.07152	0.8
221.06595	1.1
227.12846	11.2
228.13289	0.5
233.22758	0.3
235.08189	4.6
236.08473	0.3
251.12857	0.6
253.09232	0.8
259.08267	0.3
263.07483	0.3
269.06497	0.3
277.21722	44.7
278.22104	4.3
287.07663	1.4
291.23309	0.2
305.08875	1.7
315.92664	0.3
323.09760	0.8
379.12463	5.8
380.12936	0.4
397.13492	32.4
398.13846	2.6
415.08963	0.5
415.14569	8.2
416.14966	0.8
589.24933	0.4
607.26239	0.9
614.35193	0.2
675.36066	0.4
793.86938	0.3
885.48651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96094	2.7
71.01242	10.0
73.02823	1.5
78.98460	9.1
79.95605	21.6
80.96389	100.0
85.02834	4.9
87.00741	3.9
94.97961	23.6
96.95901	2.6
97.02806	1.4
101.02330	3.2
106.97977	4.1
122.97472	5.2
125.02323	4.7
127.03874	1.3
134.97505	7.6
136.99094	1.9
148.99057	9.3
152.98553	8.4
164.98550	16.1
206.99626	4.9
225.00687	28.7
226.01041	1.3
292.17352	1.0
509.34814	1.0
537.27179	2.2
709.37842	2.4
731.88599	1.2
879.51337	98.2
880.51648	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	0.8
65.60896	0.2
71.01261	1.1
71.52962	0.3
71.64352	0.1
75.00749	0.6
85.02821	0.6
88.98679	100.0
89.02316	0.4
89.99037	0.7
96.95874	0.2
99.00792	0.4
101.02343	0.3
113.02316	0.4
113.55819	0.2
115.36722	0.2
119.03300	0.2
119.93585	0.2
191.05487	0.4
275.87979	0.2
453.34082	0.2
512.25867	0.2
523.30853	0.2
587.39514	0.2
613.36914	0.3
616.15613	0.2
793.43756	8.4
794.44031	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	37.2
69.03339	2.5
71.01250	31.0
71.08337	2.0
71.08652	2.8
72.99180	4.6
73.02825	4.5
74.88725	1.8
75.00773	1.8
78.95823	1.8
80.96390	4.1
81.03347	3.7
83.01247	4.0
83.04924	2.4
85.02813	9.1
87.00751	7.0
88.98692	9.1
89.02312	29.3
95.01292	2.6
97.02835	13.9
99.00746	3.5
99.83817	1.7
99.94145	1.8
101.02322	24.6
103.63022	1.8
109.06471	30.7
111.00765	2.7
113.02347	10.1
119.03389	6.0
125.02371	9.1
135.08035	3.3
143.03418	3.7
161.04453	5.0
161.09644	3.5
163.11163	19.6
179.05579	5.7
181.12207	3.4
189.09152	2.2
201.11256	5.1
202.11600	2.1
207.10205	100.0
208.10611	4.5
209.11749	8.4
210.12155	2.8
221.06581	3.5
225.11270	47.2
225.33269	1.9
226.11668	2.9
235.08180	9.2
240.40639	2.1
255.23225	3.4
259.08365	2.3
277.21710	75.6
278.22067	6.8
287.07776	2.6
305.08633	2.4
379.12460	6.8
397.13474	59.1
398.13742	8.2
415.14468	17.5
416.15149	2.1
525.63202	2.0
605.24097	3.0
623.25543	4.8
883.46906	61.2
884.47015	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
68.56010	0.2
70.13881	0.5
71.01255	0.3
75.00755	0.2
80.96400	0.4
85.02858	0.2
87.00789	0.2
93.03343	0.2
101.02327	0.2
147.88858	0.1
161.04361	0.1
191.05583	0.5
209.11722	0.2
211.13348	0.2
211.15331	0.2
213.11337	0.3
221.11902	0.2
236.25369	0.1
239.13029	0.2
253.09299	0.3
277.21713	0.6
327.74902	0.1
362.95944	0.2
397.13403	0.3
458.94366	0.2
618.73804	0.1
755.10559	0.1
870.47717	0.6
871.47198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98419	0.2
63.49883	0.1
66.96359	0.1
69.03306	0.1
71.01252	0.3
87.00774	0.1
89.02344	0.1
95.62535	0.1
96.95913	0.3
98.19814	0.2
101.02336	0.1
125.02274	0.1
137.02411	0.1
159.63918	0.1
161.02243	0.1
171.10107	0.1
182.55530	0.1
191.05586	0.2
209.11789	0.4
218.04131	0.1
253.09503	0.1
254.75084	0.1
265.18170	0.1
314.78964	0.1
327.21820	0.1
397.13699	0.1
561.20038	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44118	1.5
80.16843	0.2
81.10646	0.2
91.29739	0.2
107.01303	0.3
108.02071	0.5
118.86885	0.2
135.00755	0.2
148.01561	0.5
151.00241	0.6
163.00269	0.5
164.01070	0.3
174.85779	0.2
184.05153	0.3
199.03983	0.3
203.03265	0.2
203.90977	0.2
211.03972	0.2
216.04140	0.3
226.02702	0.5
227.03471	1.0
228.04181	0.4
229.23186	0.2
243.02948	6.0
244.03648	1.5
254.02097	1.2
255.02937	10.6
256.03397	1.0
259.06079	0.8
263.85944	0.2
271.02457	23.6
272.03088	4.1
287.05591	1.2
299.01968	0.4
300.02731	31.5
301.03061	2.8
315.05084	100.0
316.05405	8.2
395.00742	99.3
396.01044	9.4
550.38550	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18980	0.3
70.35673	0.9
79.95634	0.3
87.91283	0.3
108.02026	0.5
125.46055	0.3
135.00780	0.4
148.01538	0.6
151.00238	0.5
163.00266	1.0
199.03841	0.4
216.04271	0.5
216.10249	0.3
226.02628	0.5
227.03401	1.4
227.42259	0.3
228.04242	0.5
230.83324	0.3
243.02988	6.2
244.03651	1.8
254.02170	1.4
255.02966	11.5
256.03470	1.2
259.06021	0.7
261.95233	0.3
271.02469	24.8
272.03149	4.4
280.80576	0.3
287.05707	1.8
299.01846	0.4
300.02737	36.1
301.03006	2.6
315.05096	100.0
316.05423	8.2
395.00757	77.1
396.01080	6.5
692.52576	0.3
737.95447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	1.5
69.03322	4.5
70.13958	0.9
70.14368	2.0
71.01247	12.1
71.04877	1.4
71.54365	0.5
72.99187	1.5
73.02806	1.8
75.00741	0.7
83.01243	0.8
85.02823	3.3
87.00753	4.0
87.45554	0.7
89.02320	8.2
91.64944	0.6
94.29123	0.7
96.95914	0.9
97.02803	2.0
97.06438	1.0
99.00749	1.0
101.02326	9.0
109.02882	0.6
111.04404	1.2
113.02324	4.5
119.03384	1.8
121.02821	1.0
121.05724	0.7
123.08030	0.8
125.02312	2.1
132.89426	0.6
143.03246	0.8
151.11183	1.4
153.12752	1.1
160.28458	0.6
161.04463	1.3
161.09592	2.2
171.10236	0.7
179.10713	4.5
191.05502	1.3
195.13850	0.6
197.11765	60.1
198.12065	2.6
209.11754	1.2
210.58768	0.7
221.06557	2.2
223.09680	1.7
235.08168	1.1
241.10780	4.6
255.23251	26.6
256.23550	2.3
293.21188	1.2
313.61572	0.7
396.06241	0.7
397.13272	1.8
415.14575	0.8
639.24719	0.8
877.47968	100.0
878.48407	27.1
878.62122	0.6
903.39252	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	2.1
69.03330	4.9
69.57130	2.4
69.57542	2.2
71.01247	13.9
71.04887	1.4
72.99158	1.3
73.02805	1.2
83.01248	1.8
85.02826	4.1
87.00758	2.9
89.02315	10.6
94.90528	0.7
95.04919	0.6
97.02809	2.3
98.19799	1.4
101.02313	10.0
113.02318	3.6
116.92747	0.8
119.03374	2.7
123.04411	0.7
123.07945	1.5
125.02324	2.2
125.09601	2.7
143.03456	0.9
151.11189	2.3
153.12744	1.5
161.04427	0.9
161.09616	2.6
179.10690	5.1
187.62164	0.8
191.05574	1.2
197.11758	38.3
198.12100	2.0
209.11752	0.9
221.06635	1.6
223.09639	1.1
235.08176	0.7
241.10730	2.8
255.23262	45.2
256.23648	4.0
260.37354	0.8
397.13602	4.5
481.29492	0.7
621.23901	1.1
711.14160	0.9
877.47949	100.0
878.48273	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94389	1.2
61.98706	26.4
69.03338	2.5
70.68373	1.8
70.68718	2.9
71.01259	19.0
72.99178	2.4
73.02818	3.8
80.96379	2.7
81.03319	2.2
83.01244	3.2
83.04877	8.1
85.02820	6.3
87.00754	6.4
89.02313	13.9
94.97077	1.5
95.01257	3.5
95.04910	2.5
97.02831	4.2
97.06461	4.4
99.00757	2.1
101.02322	15.7
109.02789	1.3
109.06472	1.6
110.96467	1.6
111.00742	1.3
111.08025	6.1
113.02319	8.5
116.92741	7.3
119.03365	3.9
123.04375	1.7
125.02340	6.8
125.09636	3.2
129.80986	1.4
135.08017	2.7
143.03419	3.1
143.07059	2.1
154.99739	4.8
161.04439	6.1
163.07544	1.6
163.11217	7.7
165.12701	3.6
168.31996	1.2
168.35756	1.2
169.08618	8.2
171.10144	1.5
173.00809	6.1
179.05534	2.9
181.08546	1.8
181.12248	2.8
183.10188	1.9
185.11769	2.6
191.05533	3.0
191.14264	2.6
197.11749	17.1
207.10112	2.6
209.11774	100.0
210.12044	7.1
211.13298	4.2
215.40788	1.5
217.15886	6.1
217.83493	1.5
227.12802	2.1
235.08194	8.2
245.19087	5.2
253.09268	20.6
259.08063	1.8
261.14880	6.7
263.16461	4.7
263.20102	3.7
277.21725	45.9
278.21933	5.0
279.15952	7.7
280.16415	1.7
281.17557	12.9
289.18112	22.9
290.18347	4.3
291.19632	9.0
292.20032	2.3
297.01965	1.3
305.08719	2.6
307.19159	23.1
308.19495	3.2
309.20724	23.3
310.21252	4.3
379.12427	6.8
396.22760	1.4
397.13538	25.6
398.13937	2.7
415.14520	6.5
543.27893	1.8
545.29657	1.7
547.80481	1.5
868.47015	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	3.7
69.56648	5.0
69.57056	2.3
71.01254	14.1
71.65043	1.0
72.99169	1.8
78.92169	1.0
78.95770	1.2
80.96375	2.4
83.01266	2.2
85.02820	3.1
87.00764	5.9
88.98677	3.3
89.02307	15.0
97.02847	3.0
101.02313	12.9
113.02345	7.1
119.03391	2.7
125.02332	7.7
127.11177	2.1
143.03360	2.7
161.04422	4.6
171.10176	100.0
172.10497	4.9
179.05469	2.3
189.32619	1.2
191.05615	1.4
213.11237	1.1
217.06807	1.1
221.06493	1.6
235.08141	6.2
255.23270	55.1
255.25960	2.8
256.23627	3.4
287.07574	1.9
305.08743	2.5
319.70856	1.1
323.09702	1.4
350.08875	1.1
379.12463	21.6
397.08405	2.5
397.13486	39.1
397.18613	2.3
398.13806	3.2
415.14444	8.3
551.23230	4.0
569.24481	5.3
578.78076	1.3
610.77875	1.3
635.35498	2.6
653.37415	3.2
867.49603	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99171	2.4
61.98702	5.0
66.55972	1.4
71.01259	20.5
72.99198	1.8
73.02817	3.5
75.00762	1.7
78.45247	1.4
78.95801	1.5
80.96387	2.6
83.01260	2.6
85.02843	5.5
87.00761	7.1
88.98680	13.0
89.02316	23.4
95.01209	1.8
97.02849	3.7
101.02317	14.0
113.02341	6.6
119.03411	3.6
125.02320	9.1
127.11180	2.0
135.64780	1.2
143.03433	2.5
161.04472	4.2
165.80406	1.5
171.10185	100.0
172.10558	4.7
179.05568	4.9
185.04247	1.3
207.53894	1.6
217.07204	1.4
229.86504	1.5
235.08170	7.0
253.09300	1.8
255.23273	79.0
256.23511	6.3
287.07977	1.6
305.08517	2.0
379.12451	18.8
397.13474	43.6
397.18600	2.6
398.13693	3.2
415.14664	7.3
551.23157	1.7
569.24487	2.1
625.37152	1.4
635.36395	3.9
653.37634	5.9
711.21088	1.4
793.54102	3.4
867.48413	2.0
900.87695	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	6.1
69.03332	3.4
71.01248	11.8
71.53328	2.5
78.95794	2.3
81.03329	4.2
83.01266	5.2
83.04905	6.5
85.02825	5.0
87.00747	2.5
89.02310	6.7
93.96785	2.0
94.24245	2.3
95.04906	6.0
97.02821	9.2
97.06461	16.4
101.02333	11.2
109.06471	3.6
113.02337	5.0
119.03371	2.5
119.08544	2.7
121.06496	5.4
123.04391	4.8
123.08013	4.6
125.09608	9.8
130.76199	2.1
133.06487	2.6
135.08035	8.1
137.09631	10.2
139.07513	3.1
142.02580	3.1
151.08600	2.0
153.09102	2.7
157.18713	2.2
161.04471	4.4
163.07558	9.7
163.11180	15.9
165.09148	2.7
165.12723	3.2
166.72290	2.2
181.08606	4.8
181.12254	3.9
185.11737	13.4
191.05516	4.2
191.10683	3.2
191.14336	9.9
199.84985	2.7
207.10239	5.9
209.08348	2.8
209.11745	36.4
210.12097	6.9
217.15935	29.4
225.11246	5.3
227.12738	2.8
234.75986	2.5
235.08168	7.3
237.11285	5.2
243.13799	5.2
245.19092	18.7
253.09251	25.8
256.23694	4.4
257.15533	2.4
261.14905	33.0
263.20123	4.1
271.16992	3.0
277.21677	2.3
279.15964	39.3
282.56052	2.5
289.18088	100.0
290.18408	9.4
291.19440	2.8
307.19128	77.0
308.19470	8.3
397.13748	3.4
426.73483	2.6
461.61392	2.3
492.08743	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98683	3.0
63.96102	2.1
69.03308	1.2
71.01257	11.0
73.02818	1.9
78.98462	7.4
79.95602	23.2
80.96390	100.0
81.03307	1.4
81.28178	0.8
82.95928	0.9
83.01244	1.0
85.02808	3.4
85.89808	1.1
87.00741	3.7
94.97958	21.0
96.95860	1.5
97.02825	1.9
98.19785	1.9
99.00755	1.3
101.02297	3.1
106.97948	4.0
115.91921	1.1
122.23555	0.8
122.97472	5.4
125.02322	3.4
134.97485	7.1
136.99037	1.8
148.99054	7.7
152.98563	7.7
158.16150	0.8
164.98546	14.6
166.36157	0.8
206.99721	4.9
215.59686	1.0
225.00702	25.6
255.23253	1.0
265.39197	0.8
283.04858	2.2
537.27417	2.3
546.89600	0.8
609.25415	1.2
703.89435	1.0
865.49774	94.2
866.50073	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	47.0
62.61517	3.7
67.52193	3.4
68.32784	3.7
69.03335	6.1
71.01257	25.2
79.95618	6.7
80.77351	3.7
80.95985	4.5
80.96387	24.6
81.03345	3.9
83.01239	4.9
83.04892	7.3
85.02824	7.8
87.00726	7.9
89.02311	12.0
94.97967	6.3
95.04862	7.0
95.77501	4.1
97.02841	13.7
97.06475	11.7
97.19193	3.9
99.00793	4.2
101.02330	16.4
111.08006	24.7
113.02305	8.6
116.92736	4.6
119.93195	4.0
123.08013	5.3
125.09602	10.8
135.08096	6.0
137.09587	12.9
161.04395	7.4
163.07515	5.8
163.11160	18.4
164.98517	5.1
165.12715	6.7
169.08615	31.9
169.12202	4.5
171.10216	9.0
175.11087	4.8
181.08592	8.2
183.10129	5.6
185.11711	5.2
191.05473	6.0
191.14362	7.5
197.11780	78.3
207.10083	5.4
209.11774	34.2
211.13269	9.6
217.15916	25.7
219.17459	5.2
225.00735	8.9
235.08307	6.2
235.17067	5.2
237.11282	9.2
243.13937	5.3
245.19016	19.2
249.18620	4.3
253.09253	63.7
261.14948	38.2
263.16513	16.2
263.19870	6.1
277.21536	6.3
279.16010	39.7
281.17615	49.1
289.18088	91.7
290.18488	8.3
291.19693	43.7
307.19131	76.7
308.19534	9.6
309.20706	100.0
310.21066	11.8
397.13239	5.2
807.45544	6.8
827.05298	4.9
849.54138	4.5
868.47058	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62791	0.9
70.50777	0.2
73.18926	0.2
73.34142	0.2
75.22289	0.2
79.95598	0.3
83.79741	0.2
98.19846	0.3
103.52576	0.2
107.01311	0.3
108.02050	0.8
112.28702	0.2
135.00749	0.5
148.01541	0.4
151.00258	0.6
154.92424	0.2
161.77577	0.2
163.00238	1.1
164.00974	0.3
174.02950	0.2
189.44194	0.2
199.03815	0.2
200.04634	0.3
202.02576	0.2
216.04169	0.4
226.02623	0.5
227.03487	1.1
228.04198	0.5
229.64946	0.2
243.02943	6.3
244.03595	1.9
246.04645	0.2
254.02202	1.4
255.02957	12.9
256.03412	1.1
259.06097	0.8
271.02466	25.1
272.03110	4.5
287.05554	1.5
299.01913	0.3
300.02737	36.1
301.03116	3.1
315.05090	100.0
316.05408	8.1
395.00754	66.4
395.11508	0.6
396.01031	5.5
397.00861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	0.6
69.03334	1.1
71.01256	15.3
71.53241	0.4
72.99166	1.4
73.02821	2.7
80.02553	1.3
81.03339	2.0
83.01253	1.9
83.04900	5.2
84.02056	0.9
85.02829	4.1
85.99973	0.3
87.00748	4.3
89.02321	13.0
95.01263	1.3
95.04907	1.0
97.02829	2.5
99.00781	0.8
101.02321	11.1
105.07990	0.3
109.06474	0.5
111.00758	0.4
111.04414	0.6
113.02334	6.0
116.94519	0.3
119.03394	3.7
125.02336	6.2
125.06013	0.5
127.03956	0.3
131.03450	0.6
132.42389	0.3
133.04964	0.4
135.08046	0.6
137.02409	0.3
139.03900	0.5
141.01808	0.4
143.03384	2.4
149.04480	0.3
161.04480	3.0
163.11186	4.1
165.12759	2.4
167.03436	0.4
179.05507	3.4
181.12209	0.4
191.05511	0.5
191.10739	0.6
194.03316	0.3
199.05980	0.3
209.11774	100.0
210.12119	4.9
217.07108	0.8
221.06609	1.1
227.12842	12.8
228.13235	0.6
235.08226	5.0
251.12869	0.7
253.09283	0.7
255.23274	48.6
256.23651	4.0
259.08292	0.5
263.07761	0.6
269.24750	0.6
287.07690	1.8
305.08856	1.6
323.09821	1.0
379.12466	7.9
380.12936	0.6
397.13486	35.3
398.13919	2.7
415.14560	7.7
415.19916	0.6
416.14850	0.3
427.18317	0.3
497.08923	0.3
589.25018	0.4
602.11884	0.3
607.26514	1.3
635.36829	0.3
653.37341	1.2
653.47400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93795	0.3
61.98708	1.9
68.75346	0.2
69.03317	1.2
69.66956	1.7
71.01250	13.9
71.04883	0.3
72.01577	0.3
72.92231	0.3
72.99183	1.1
73.02814	2.2
75.00762	0.4
77.22242	0.3
80.02554	1.4
81.03342	1.8
83.01254	1.9
83.04892	5.4
84.02031	0.9
85.02813	3.5
87.00747	3.8
89.02315	11.9
95.01257	1.2
95.04887	0.7
97.02818	2.4
98.20530	0.3
99.00751	0.6
99.04395	0.4
101.02319	10.3
111.00742	0.3
113.02332	5.6
114.02619	0.3
119.03367	3.6
121.02832	0.4
125.02332	5.2
125.05983	0.5
128.67834	0.3
131.03362	0.5
135.08063	0.8
139.03877	0.3
143.03387	2.5
147.11754	0.3
149.04439	0.3
161.04451	2.6
163.11220	3.4
165.12764	3.1
167.03494	0.4
173.25513	0.2
179.05536	4.2
181.12286	0.7
184.19919	0.3
191.05484	0.4
191.10643	0.7
199.06085	0.4
207.10214	0.4
209.11763	100.0
210.12099	4.8
217.07082	0.9
221.06619	1.3
225.11362	0.4
227.12843	12.4
228.13283	0.6
235.08174	4.1
251.12906	0.8
253.09215	0.8
255.23260	41.6
256.23672	2.8
259.08273	0.4
263.07867	0.4
269.24866	0.3
287.07736	1.7
305.08704	2.3
321.55475	0.4
323.09879	1.2
334.11032	0.3
369.60651	0.4
379.12427	7.6
380.12659	0.4
397.13464	31.4
398.13834	2.2
403.73901	0.3
415.14566	7.1
416.14880	0.4
418.14120	0.4
513.59393	0.4
589.25049	0.8
607.26007	1.3
653.37976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	2.5
64.21493	0.3
64.93839	0.3
69.03333	1.0
69.81862	1.1
69.82273	0.7
71.01254	17.2
72.99162	2.0
73.02814	2.4
75.00717	0.4
78.95825	0.3
80.02557	0.9
80.96400	0.9
81.03319	2.1
83.01252	1.7
83.04898	4.7
83.05373	0.4
84.02063	0.9
85.02824	4.0
87.00755	4.4
89.02318	13.7
93.03381	0.5
95.01280	1.0
95.04926	0.7
96.52595	0.3
97.02833	3.3
97.05592	0.4
99.00790	1.3
101.02323	11.8
109.06483	0.6
111.04401	0.9
113.02325	6.6
119.03396	3.5
125.02338	6.4
125.05978	0.6
131.03387	0.4
135.08092	0.7
139.03915	0.8
141.01833	0.3
143.03403	2.2
161.04483	3.3
163.11186	3.7
165.12732	1.9
167.03410	0.4
179.05531	3.2
181.12262	0.4
191.10696	1.1
199.05827	0.3
207.10185	0.9
209.11774	100.0
210.12093	6.2
217.07190	0.7
221.06609	1.3
225.11412	0.5
227.12836	12.6
228.13286	0.4
235.08215	5.4
251.13091	0.3
253.09268	1.3
255.23274	53.4
256.23636	4.3
259.71527	0.3
263.07736	0.8
269.25037	0.4
287.07742	1.3
305.08777	2.1
323.09799	1.1
379.12433	8.0
397.13498	39.3
398.13843	3.4
415.14590	7.7
416.14764	0.6
589.25476	0.7
607.26550	0.8
635.36371	0.5
653.37915	1.8
863.48914	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66505	0.2
60.96318	0.2
61.98703	100.0
62.03887	0.2
62.98394	0.3
63.99135	0.6
64.13502	0.2
71.53587	0.2
78.95786	0.3
79.74867	0.2
87.92507	0.3
116.92738	1.8
120.92142	0.2
191.05646	0.3
196.09233	0.3
339.18088	0.3
397.13770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30052	0.3
61.98702	100.0
62.62528	0.3
69.03320	0.4
71.01257	0.6
71.53999	0.4
72.33850	0.3
78.95778	0.4
134.65404	0.3
172.38034	0.3
196.10529	0.3
197.11798	0.7
240.88867	0.4
252.54790	0.3
253.09433	0.4
265.24051	0.5
277.21594	1.7
278.22144	0.5
293.21390	0.5
336.19086	0.4
365.99612	0.4
397.13373	0.5
458.62735	0.3
855.44568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56326	0.3
61.98702	100.0
67.55813	0.4
71.01261	0.7
71.53041	0.4
76.19273	0.3
77.51803	0.3
78.95766	0.3
85.02849	0.9
96.95915	1.2
101.02326	0.5
113.02299	0.4
116.92753	0.8
156.16679	0.4
161.04364	0.3
171.10150	1.6
178.98878	0.4
183.13831	0.4
197.11790	0.8
211.13368	0.8
235.08270	0.4
249.18542	2.7
250.18948	0.4
253.09277	1.6
268.80948	0.4
277.21817	1.1
291.19467	0.5
293.21149	0.8
309.20819	1.5
327.21762	4.2
328.22232	0.3
341.23868	0.4
343.25040	0.5
384.35504	0.4
397.13873	0.6
400.47556	0.4
629.53058	0.3
742.07715	0.4
759.89752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
64.47091	0.1
68.99690	0.4
69.60245	0.2
71.01252	8.3
71.53059	0.3
72.99187	0.5
73.02835	0.5
75.00745	3.6
83.01244	0.9
84.73433	0.2
85.02824	3.7
87.00746	0.8
89.02321	2.7
95.01267	1.5
96.35302	0.2
96.95891	1.0
97.02822	0.3
99.00755	4.7
101.02321	3.8
103.27333	0.2
105.80605	0.2
112.01559	0.2
113.02335	3.0
116.92726	0.2
119.03401	1.1
119.61983	0.2
139.67903	0.2
141.53435	0.2
157.01321	0.6
163.11098	0.2
191.05528	0.4
205.25032	0.2
209.11807	0.3
236.43750	0.2
259.52817	0.2
291.19238	0.2
309.20715	0.3
314.34296	0.2
341.23349	0.3
437.34351	0.2
453.33649	1.7
454.34067	0.3
455.35339	1.9
460.04633	0.2
471.69629	0.2
497.35965	0.2
523.38007	0.7
537.35559	0.7
551.37292	0.3
567.36224	0.2
569.38416	1.7
587.39362	0.5
613.37317	2.0
614.37549	0.4
731.43707	0.3
793.43738	54.4
794.44122	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
69.35196	0.3
69.35596	1.0
71.01276	0.2
77.35540	0.1
80.33400	0.1
80.96413	0.2
93.97674	0.1
96.95913	0.3
101.02337	0.2
116.92765	0.3
153.01682	0.1
175.63820	0.2
197.11830	0.3
249.18770	0.1
251.20044	0.2
277.21561	0.3
278.22092	0.2
309.80438	0.2
397.13632	0.3
597.88171	0.2
857.44568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
62.47283	1.7
63.02250	7.2
65.00191	6.4
69.03296	1.8
71.53416	3.4
75.07127	1.5
78.43182	1.7
83.01263	7.1
95.01250	2.8
96.95931	2.1
98.24384	1.7
107.01264	15.6
109.02867	1.8
124.01559	7.5
125.02307	2.3
151.00276	47.3
152.01057	18.6
153.01756	1.9
169.01312	9.4
175.03925	3.7
178.99786	66.3
180.00153	2.5
191.05510	2.6
192.00566	2.3
193.01332	9.0
198.03224	1.7
199.03937	2.5
203.03535	3.0
209.54958	1.6
211.03928	1.7
215.03426	2.4
226.02611	4.5
227.03438	5.7
228.03906	1.9
239.03375	2.4
242.02368	1.9
253.01428	2.2
254.02141	12.2
255.03024	8.1
271.02405	6.6
281.01077	2.4
285.04037	3.7
375.87909	1.7
378.12210	2.2
389.02982	5.0
407.03793	5.3
419.07895	10.9
421.05969	2.4
423.06894	2.4
435.07150	7.0
544.34991	1.8
597.06903	5.5
615.07434	16.9
616.08160	2.2
687.64716	2.5
695.03156	2.0
733.44464	1.9
777.13043	100.0
778.13373	22.4
857.08417	11.1
858.08667	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	1.7
69.03318	1.1
69.96367	1.4
71.01250	13.5
71.04862	0.2
72.99177	1.0
73.02811	2.0
75.00777	0.4
80.02555	1.5
81.03335	1.8
83.01253	2.2
83.04893	5.2
84.02042	0.6
85.02827	3.0
87.00749	2.7
89.02316	10.1
89.24528	0.3
93.03383	0.3
95.01241	1.5
95.04915	0.6
97.02831	1.7
97.06465	0.3
98.20547	0.3
99.00740	0.9
99.04362	0.4
101.02319	9.6
109.06484	0.6
111.00814	0.3
111.09039	0.3
113.02323	6.5
116.92696	0.5
119.03391	2.9
124.01563	0.3
125.02332	4.9
125.05934	0.7
125.09595	0.4
127.03838	0.3
131.03400	1.1
134.88094	0.3
135.08081	0.8
139.03957	0.4
141.01761	0.3
143.03401	1.6
147.11705	0.3
149.04366	0.4
161.04463	3.0
163.11205	3.9
165.12764	2.4
171.10129	0.4
179.05519	3.1
181.08620	1.0
181.12228	0.8
185.04543	0.3
191.05518	0.5
191.10667	0.9
199.06061	0.6
199.09666	0.7
205.19388	0.3
207.10216	0.5
209.11761	100.0
210.12097	6.0
211.13368	0.3
217.07164	0.6
221.06615	1.1
225.11298	0.5
227.12839	10.9
228.13112	0.5
235.08182	4.4
245.06657	0.4
249.18565	36.8
250.18858	3.1
251.12828	0.5
253.09306	1.3
277.21683	0.9
287.07767	1.1
305.08658	1.5
323.09717	0.8
379.12457	4.5
380.12677	0.4
397.13477	29.2
398.13956	2.1
415.14563	7.8
416.14902	0.7
544.43005	0.3
607.25989	1.2
857.44476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	16.9
61.98702	38.6
68.34489	1.6
71.01241	6.0
71.54063	1.7
75.70806	1.9
78.95769	2.0
85.02831	2.1
89.02320	4.6
95.04930	2.1
97.02791	1.9
97.06451	6.5
101.02322	7.2
113.02271	2.4
116.92719	2.9
135.08055	3.4
137.09576	1.6
149.09607	1.9
152.99516	2.0
153.29883	1.7
163.07504	2.3
163.11165	5.2
171.10168	4.9
181.08630	3.7
181.12248	2.4
195.13844	11.0
209.11729	2.1
210.82092	1.9
217.15903	12.8
223.13315	5.9
235.08284	2.6
243.13910	2.6
249.18518	3.0
253.09270	22.6
261.14938	22.0
262.15173	2.2
265.18066	2.9
275.20197	9.9
279.16046	22.1
292.33835	1.7
293.21222	100.0
294.21445	7.8
307.19067	2.1
343.95255	1.9
355.94925	2.1
493.48438	2.0
536.34125	1.8
791.45868	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.1
60.99182	0.3
67.01759	1.8
68.69781	0.2
69.03319	0.9
71.01248	1.2
71.33829	0.3
73.02810	0.3
81.03323	0.6
83.04900	0.3
85.02829	0.8
87.00761	2.0
88.43606	0.3
93.03333	9.5
94.03644	0.3
96.95888	1.1
97.42990	0.3
99.00762	0.3
99.04395	0.2
101.02316	0.4
102.32973	0.3
108.02051	0.7
109.02820	0.5
111.00783	0.4
111.04376	1.1
113.02319	0.3
121.02847	1.0
122.03655	0.4
124.01569	2.4
125.02332	1.2
126.03114	0.4
129.01758	0.3
133.02852	1.4
133.06491	0.7
134.03644	4.0
135.04413	31.3
136.04836	1.0
137.02348	0.9
149.09621	100.0
150.03136	1.6
150.09958	4.7
151.03911	4.6
155.03378	0.3
160.01573	0.4
161.02376	0.9
163.03854	0.2
173.04460	2.8
178.02640	0.4
179.03419	7.2
180.04051	0.4
181.04942	0.2
185.00845	0.4
191.03775	0.3
191.05536	6.6
192.05894	0.3
203.05603	0.3
217.64693	0.2
257.08060	1.3
275.09262	0.7
290.07996	0.5
307.08200	3.0
308.08997	6.4
309.09335	0.5
323.07660	0.3
351.07272	0.4
352.07980	14.7
353.08243	1.3
353.16046	1.8
449.14529	12.3
450.14795	1.7
516.78949	0.3
629.72449	0.2
783.82495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96090	1.9
69.03322	1.8
71.01254	9.3
71.33475	1.9
73.02818	2.6
78.98457	7.2
79.95605	18.6
80.96390	100.0
82.95964	1.7
85.02815	3.8
87.00736	3.3
93.76102	0.9
94.97965	22.6
96.95898	1.9
97.02847	1.7
101.02325	3.7
106.97984	4.7
122.97459	3.7
125.02318	4.2
127.03906	1.6
134.97459	6.8
136.99017	1.7
148.99045	7.7
152.98549	8.9
164.98529	14.1
188.98439	1.0
196.65570	1.0
206.99619	3.2
225.00691	25.8
226.01160	1.4
255.23193	1.7
283.04947	1.5
364.21487	1.2
373.22025	1.0
537.27209	2.0
591.24982	2.3
847.48700	98.2
848.49060	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	44.6
60.01582	0.7
60.99181	2.4
61.98708	0.5
67.01763	5.3
69.03331	2.2
71.01253	9.0
71.53780	0.5
73.02815	1.7
79.69590	0.4
80.26563	0.4
81.03342	1.3
83.01229	0.6
83.04893	0.9
85.02822	4.2
87.00752	8.7
89.02310	1.3
93.03336	33.2
94.03673	0.8
95.01279	0.9
95.99477	0.4
96.95846	1.9
97.02840	1.1
97.06485	1.1
99.00755	2.0
101.02325	3.5
108.02058	3.4
109.02848	1.8
111.00726	0.8
111.04396	3.5
113.02327	2.6
121.02825	2.5
122.03625	1.2
124.01560	7.3
125.02350	3.3
126.03128	2.7
127.03900	0.9
129.01796	1.5
132.02048	0.7
133.02858	3.9
134.03636	14.0
135.04416	100.0
136.04691	3.8
137.02351	2.0
139.03958	0.5
143.03406	0.7
146.05754	0.4
149.02365	0.5
150.03120	5.2
151.03917	15.5
152.04245	0.8
155.03380	0.7
159.02893	0.5
160.01593	1.0
161.02379	2.9
161.04463	1.6
162.03157	0.5
163.03896	0.8
165.67622	0.5
167.03410	0.7
173.04457	9.2
177.01878	1.1
178.02539	1.0
179.03418	24.3
180.03973	2.8
186.73357	0.4
187.07593	0.7
189.05560	0.5
191.05534	26.4
192.05887	1.0
194.02144	0.9
197.11781	0.6
200.01175	0.8
202.00792	0.4
209.11803	1.3
215.05463	0.6
221.04622	0.5
225.11290	0.7
227.12820	0.6
229.72318	0.4
231.10185	0.7
233.71397	0.5
243.32408	0.4
257.08188	6.1
258.08426	0.4
275.09161	2.4
289.07065	0.6
290.07993	2.1
306.07352	1.0
307.08243	9.3
308.09003	26.2
309.09369	1.6
313.45642	0.5
315.18106	4.3
316.18661	0.6
323.07733	1.7
351.07031	2.0
352.07986	49.4
353.08325	5.3
357.19266	0.9
449.14511	42.5
450.14801	4.5
493.07516	0.5
523.12500	1.2
627.28815	0.6
650.35699	0.5
825.72589	0.5
851.37909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	18.3
61.98714	8.9
69.03322	1.5
71.01259	14.2
71.52761	1.3
72.99166	1.2
73.02811	2.3
75.00735	1.4
83.04886	1.9
85.02828	4.3
87.00758	2.8
89.02315	10.5
97.06459	10.8
101.02315	10.3
113.02305	4.7
114.90601	1.5
116.92741	10.9
119.03369	2.0
123.08044	7.5
125.02312	2.1
125.09617	69.5
126.09936	3.0
136.63272	1.6
143.03407	1.4
155.17943	1.2
163.14380	1.2
169.08603	2.1
171.10199	1.6
187.09680	35.2
188.09982	1.8
191.05473	3.8
209.11841	1.9
235.05415	1.1
235.08179	2.1
249.18556	1.9
253.09297	2.1
277.21738	28.3
278.22125	2.4
371.11734	1.3
397.13559	6.5
399.03262	1.3
415.14551	2.1
477.23358	1.3
567.23071	1.6
845.45386	100.0
846.45508	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.49
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	29.3
59.98058	1.3
61.98700	10.4
69.03343	3.1
71.01250	27.0
72.99134	2.9
73.02817	4.7
81.03345	1.8
83.01234	4.6
85.02822	7.0
87.00737	7.4
88.98670	2.1
89.02312	24.6
95.01225	1.8
96.46006	1.3
97.02818	5.7
99.00747	3.2
99.94070	1.3
101.02325	24.5
111.04397	1.7
113.02320	11.1
116.92744	3.8
119.03355	6.1
125.02351	7.2
131.03424	1.4
143.03357	5.0
161.04469	4.9
169.01266	4.0
169.12259	26.2
179.05574	5.3
183.10236	2.2
191.05579	6.9
209.11671	2.3
226.73506	1.4
229.31926	1.8
235.08150	9.8
238.62848	1.5
248.83022	1.3
249.18466	1.6
253.09238	5.0
263.07620	2.2
275.60312	1.4
277.21710	68.4
278.22083	5.2
287.07660	4.3
291.19510	3.9
299.18591	1.7
305.08716	5.2
323.09494	1.7
397.13474	100.0
398.13940	8.1
415.14554	35.8
416.14459	2.2
714.56482	1.7
845.42834	2.6
871.30035	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.4
61.98701	12.8
64.23721	1.1
69.03300	1.7
71.01247	12.4
73.02817	1.7
83.04889	1.7
85.02814	3.3
87.00755	3.1
89.02316	10.8
95.04829	1.3
97.02819	1.4
97.06472	15.5
101.02330	8.3
103.60257	1.1
113.02324	3.0
116.92754	2.9
117.21405	1.2
119.03347	2.2
123.08038	9.0
125.02362	2.2
125.09614	95.6
126.09907	1.7
143.10695	1.6
169.01390	1.2
169.08615	2.3
171.10164	1.3
187.09689	69.4
188.10037	4.3
191.05533	17.3
209.11760	1.3
221.06625	4.8
253.09216	1.2
261.13239	1.4
277.21768	10.9
293.65909	1.1
295.07867	1.1
397.13507	1.7
567.22852	2.9
585.23932	7.1
845.45367	100.0
846.45618	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91489	1.1
69.61969	8.9
96.95876	1.6
98.20581	2.5
116.59447	1.0
136.46620	1.1
163.00247	1.3
204.89122	1.3
227.03366	1.4
243.02982	7.1
244.03571	2.7
255.02937	13.0
271.02481	22.3
272.03116	5.0
287.05533	2.8
300.02719	34.3
301.02838	2.0
315.05087	100.0
316.05417	7.6
395.00751	63.7
395.04727	1.0
396.00800	5.3
593.09546	1.7
780.33466	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85017	0.9
71.53288	0.9
76.93156	0.7
86.87601	0.7
226.02643	0.8
227.03223	0.9
233.81525	0.8
243.02974	6.7
244.03561	1.4
247.40276	0.8
255.03006	10.8
256.03470	1.5
269.61975	0.8
271.02460	20.5
272.03210	4.1
287.05756	2.0
299.01993	0.8
300.02747	33.9
301.03064	2.2
315.05099	100.0
316.05502	6.2
395.00760	75.5
396.01065	7.9
560.11127	0.9
795.88855	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.2
63.02278	1.4
65.00191	2.8
69.24984	0.2
69.25317	2.2
83.01257	2.0
93.03333	1.0
107.01263	6.8
109.02815	1.4
121.02835	6.7
121.03681	0.4
122.03167	0.3
125.02370	0.4
129.31776	0.2
133.92886	0.2
139.03937	0.4
149.02351	0.9
151.00272	27.7
152.00639	0.8
163.00270	1.4
163.03972	0.2
164.01041	0.4
165.76256	0.2
169.01323	1.9
175.03856	0.2
178.99773	13.0
180.00159	0.5
183.04420	0.3
185.39119	0.2
187.03880	0.5
191.05550	0.3
193.01372	0.7
196.00043	0.3
201.05505	0.4
211.03975	0.7
215.03384	0.2
224.94232	0.2
227.03488	0.4
229.04987	0.9
239.03453	0.4
240.04199	0.3
243.03040	0.3
245.04478	1.3
255.02859	1.3
257.04544	0.7
271.02530	0.6
273.03998	1.7
283.02426	0.5
299.02026	0.8
300.02692	0.5
301.03513	100.0
302.03870	6.6
380.99207	31.7
381.99600	2.1
458.94925	0.2
832.60315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	9.4
61.11837	0.5
61.98686	1.6
67.01785	0.6
69.03322	3.8
70.27958	2.1
71.01251	8.9
71.04885	0.9
72.99174	0.7
73.02812	1.6
80.96408	0.9
81.03296	1.1
83.01237	1.1
83.04886	2.3
84.02044	3.8
85.02819	2.5
87.00735	1.7
89.02311	6.3
93.03320	1.0
93.06989	0.8
94.97923	0.5
95.01247	0.8
95.04887	2.0
96.95879	1.1
97.02831	3.8
97.06461	12.9
99.00739	0.5
99.04375	1.4
101.02323	7.0
109.06446	1.8
111.08037	5.8
113.02360	3.7
116.92754	1.3
119.03367	2.0
119.08566	1.0
121.02912	0.6
121.10114	0.9
123.08012	1.1
125.05999	1.0
125.09632	2.7
127.07532	0.9
127.11151	0.6
133.02852	0.5
135.08046	1.2
137.09631	3.1
141.01758	0.6
141.09111	0.7
143.03415	0.9
143.07028	3.7
149.09630	0.6
151.07628	0.7
153.09108	1.2
155.10687	1.9
161.04454	4.1
163.11134	0.8
165.09106	2.2
165.12715	2.7
167.10651	0.6
169.08626	9.5
169.12204	1.2
170.08963	0.8
171.10187	18.0
171.11661	1.1
175.11128	0.7
177.12793	0.9
179.05547	2.0
179.10683	0.7
181.08705	1.3
181.12282	0.7
183.10158	5.1
183.13818	1.2
191.05548	3.3
193.08568	0.7
193.12286	10.2
194.12640	0.7
194.90063	0.5
197.11768	20.6
198.12152	0.7
199.09688	1.1
199.13301	1.2
209.11742	1.9
211.13347	6.7
212.13559	0.6
215.12851	1.8
219.17497	2.2
221.11809	1.5
223.13306	0.7
225.11424	0.8
225.14926	13.8
226.15134	1.0
227.12843	1.0
235.08220	3.7
235.10332	0.6
235.17009	0.8
237.14815	0.8
239.12941	0.7
243.15971	6.7
245.15401	0.9
247.20567	1.1
253.09254	46.1
254.09657	2.4
263.16510	9.7
263.19638	0.7
265.17993	0.7
273.18491	0.8
279.23245	0.8
281.17578	33.8
282.17941	2.2
289.18127	1.0
291.19638	13.3
292.19977	1.2
293.21191	1.2
295.19238	1.5
305.21182	0.6
307.19238	0.9
309.20682	36.0
309.65228	0.5
310.21149	4.0
313.16574	1.2
313.20203	22.0
314.20633	2.5
323.22299	1.5
327.21750	1.9
341.23306	100.0
342.23657	9.0
357.22977	0.8
545.29761	1.0
549.28949	0.6
577.32324	3.6
605.40509	6.6
606.40991	1.4
841.50220	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	17.0
61.98706	7.6
69.03309	2.2
69.85804	1.3
70.17210	5.0
71.01259	7.9
73.02824	1.7
78.95757	1.5
80.96404	2.0
89.02324	6.0
89.03901	1.2
92.00143	1.2
93.35411	1.6
101.02330	5.0
111.08030	7.2
113.02327	1.9
143.03368	1.6
161.04539	1.5
169.12247	3.9
171.10184	5.8
179.05475	1.7
197.11766	47.6
198.12135	2.5
199.13362	3.3
209.15424	4.5
211.13289	6.9
223.16948	2.5
225.14960	5.3
227.12943	1.6
235.08195	4.2
246.20328	1.4
249.18570	100.0
250.18982	9.6
251.16574	4.2
253.09267	24.0
254.09561	1.8
263.20151	2.3
273.18576	4.2
277.21710	16.2
281.17688	2.0
291.19675	30.5
292.20013	3.0
309.20703	63.3
310.20993	5.1
323.22293	1.4
341.23343	7.5
394.97549	1.4
460.84399	1.4
527.28314	1.3
545.29474	3.6
560.48688	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	7.1
61.98703	100.0
68.99697	0.7
69.03336	0.6
69.97936	0.8
69.98345	1.3
71.01254	8.9
72.99184	1.1
73.02832	1.0
73.41763	0.3
75.00739	4.3
78.95777	0.5
79.95606	0.4
83.01276	0.9
85.02820	4.8
87.00765	0.8
89.02317	3.2
95.01270	1.4
96.95892	4.8
96.96870	0.6
99.00760	5.5
101.02319	4.0
104.71174	0.4
112.01568	0.4
113.02342	3.9
115.00201	0.4
119.03396	0.7
119.78979	0.4
146.80994	0.3
149.11295	0.4
157.01370	0.5
171.10184	0.8
171.50458	0.4
191.05556	2.2
204.67097	0.3
207.10237	0.4
209.11845	0.8
253.09152	0.5
327.21652	0.5
437.30728	1.8
439.32291	2.1
481.33032	0.5
507.35117	0.6
521.32758	0.8
553.35278	2.0
554.35736	0.6
571.36261	0.7
597.34363	2.5
777.40613	64.9
778.40900	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98398	0.2
69.95948	0.6
78.95779	0.2
79.63219	0.1
82.85349	0.1
99.92477	0.2
116.92744	1.5
135.01918	0.1
152.99478	0.1
194.46527	0.1
277.21753	0.2
294.21674	0.1
389.43729	0.1
541.66937	0.1
677.86060	0.1
840.45288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	0.4
59.01254	9.2
61.98707	0.2
68.99695	0.2
69.03324	0.9
71.01253	8.6
71.04890	0.3
71.54510	0.3
72.99171	0.8
73.02813	1.2
75.00747	0.4
79.95618	0.2
80.02544	0.9
81.03324	1.4
83.01238	1.0
83.04898	5.9
84.02023	1.2
85.02833	2.1
87.00740	2.0
89.02318	6.7
93.03320	0.8
95.01261	0.7
95.04906	0.7
96.95884	2.9
97.02827	1.5
97.06454	0.3
99.00752	0.8
101.02320	6.3
107.13840	0.2
109.02836	0.3
109.06492	0.4
111.00790	0.2
111.04380	0.2
111.89401	0.2
113.02332	3.8
119.03396	2.0
122.47049	0.2
125.02351	2.7
125.05963	0.5
125.09641	0.3
126.81363	0.2
126.97035	0.2
131.03378	0.5
133.04994	0.3
135.04442	0.2
135.08049	0.7
139.03912	0.3
143.03416	1.6
149.04460	0.3
161.04482	1.5
161.09744	0.2
163.11198	4.5
164.11497	0.2
165.12759	2.6
171.10150	1.0
178.00012	0.2
179.05531	2.1
181.12256	0.5
191.05553	1.4
191.10756	1.0
199.13290	0.5
207.10194	0.3
209.11769	100.0
210.12125	6.0
211.13504	0.3
217.07100	0.3
221.06557	1.0
223.13414	0.3
227.12839	15.0
228.13193	1.0
235.08206	2.2
247.13329	0.8
251.12825	0.3
253.09303	0.2
259.08078	0.4
263.07693	0.3
265.14359	0.4
287.07706	0.6
305.08820	0.8
323.09851	0.6
379.12482	2.3
380.12381	0.2
397.13498	16.7
398.13931	1.5
415.14581	5.6
416.14847	0.6
589.24536	0.3
607.26074	0.9
749.36481	0.3
753.43634	0.2
773.36322	0.3
791.36346	0.2
799.37683	0.6
801.75244	0.2
817.37982	0.6
818.38977	0.3
835.38483	0.7
836.36761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	34.6
71.01247	3.9
73.49478	0.8
81.03313	1.7
83.01273	2.4
83.04893	1.3
85.02808	1.1
89.02317	4.5
95.04903	1.9
97.02805	1.5
97.06464	2.5
101.02322	4.5
106.04058	1.0
109.06503	1.1
111.04380	1.2
113.02346	3.0
119.03365	1.1
119.08441	0.9
123.04401	2.5
125.02368	0.9
125.09625	3.0
137.09598	2.2
141.12793	1.0
161.04431	1.9
163.11192	5.6
185.11720	4.8
191.14339	7.9
207.10318	2.2
209.11752	11.8
217.15695	1.2
225.11201	2.5
235.08269	1.8
237.11313	4.1
245.19090	12.2
247.03491	1.1
247.17003	1.0
249.18567	100.0
250.18912	8.7
253.09224	17.2
254.09589	1.0
263.20212	4.8
271.17041	1.9
277.21667	1.6
289.18088	80.6
290.18405	5.2
307.19138	61.4
308.19583	6.3
445.21033	1.1
480.16339	1.0
525.26740	2.6
543.28107	2.1
705.07874	1.0
775.46466	1.0
785.59229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00452	1.9
59.01253	48.9
61.88243	1.4
61.98700	52.1
69.03328	1.5
71.01250	51.6
71.53547	1.4
71.53950	2.3
72.73460	1.8
72.99171	5.4
73.02826	11.7
75.00732	2.1
78.95776	2.6
83.01254	9.6
85.02821	15.9
85.99966	1.8
87.00748	17.2
89.02312	44.6
93.03328	2.2
95.01264	6.0
96.95890	9.9
96.96841	1.8
97.02814	7.1
99.00748	3.6
101.02325	44.2
109.02786	1.6
111.00802	1.8
113.02325	26.4
119.03407	9.7
125.02338	19.4
127.03831	1.8
131.03389	7.4
143.03375	7.3
161.04469	17.1
179.05519	12.7
191.05527	8.4
203.05679	2.0
209.11789	5.3
221.06601	5.8
235.08202	6.4
253.09235	10.6
263.07593	2.4
277.21674	29.6
305.08740	2.2
323.09653	5.2
383.12021	2.4
397.08383	3.1
397.13483	45.5
398.13876	2.7
415.14581	16.6
416.14902	1.8
436.81784	1.8
559.18781	100.0
560.19049	10.2
577.19873	36.2
578.20074	4.8
837.40765	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	0.4
59.01249	8.0
61.98707	0.2
65.08649	0.1
65.24046	0.1
69.03324	0.6
70.93244	0.2
70.93575	0.3
71.01254	8.1
71.04916	0.2
72.99181	0.8
73.02812	1.4
75.00750	0.3
79.95615	0.3
80.02546	1.3
81.02869	0.3
81.03319	1.6
83.01257	0.8
83.04896	5.2
84.02040	0.9
85.02818	2.2
87.00742	1.8
89.02316	6.5
91.03882	0.2
93.03345	0.6
95.01278	0.9
95.04884	0.6
96.95902	2.5
97.02817	1.3
97.07372	0.2
98.95453	0.4
99.00768	0.6
101.02319	6.1
102.02647	0.2
106.21599	0.2
109.06459	0.4
111.04413	0.3
113.02332	3.8
115.03915	0.2
119.03396	1.8
123.08013	0.2
125.02331	2.8
125.05958	0.4
125.09583	0.2
127.03886	0.2
133.04971	0.3
135.04454	0.3
135.08051	0.6
139.03871	0.3
141.01836	0.3
143.03384	0.9
147.11673	0.2
149.04503	0.2
151.03964	0.2
161.04482	1.6
163.11205	4.2
164.11554	0.2
165.12759	2.7
167.03383	0.3
171.10156	1.1
179.05527	2.4
181.12283	0.4
191.05519	1.1
191.10709	1.0
197.11810	0.2
199.13258	0.5
209.11769	100.0
210.12115	6.0
217.07133	0.2
221.06570	0.9
223.13295	0.2
225.11176	0.2
227.12839	14.9
228.13138	0.9
229.14316	0.2
235.08154	2.1
236.08508	0.2
247.13367	0.9
251.12968	0.4
253.09280	0.5
263.07675	0.4
265.14493	0.5
287.07690	0.7
305.08868	1.0
323.09830	0.5
379.12476	2.1
397.13498	18.0
398.13797	1.8
401.23636	0.3
415.14560	5.7
416.14767	0.4
419.24347	0.3
437.25366	0.2
564.35260	0.2
589.25000	0.2
607.26233	0.9
625.26648	0.2
749.34973	0.6
784.36481	0.2
791.36792	0.7
799.37866	0.6
817.38220	0.3
835.36487	1.1
836.36603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.8
61.01096	0.3
69.03336	1.3
69.46098	2.6
71.01253	2.9
72.99184	0.6
73.02821	0.9
78.95769	0.4
79.95607	9.0
79.96082	0.4
80.96392	3.6
83.01271	1.0
85.02800	2.0
87.00738	0.7
89.02300	0.8
93.03334	1.2
95.95101	1.0
96.95889	100.0
97.02840	1.1
99.00742	0.6
101.02335	2.4
103.00258	5.5
108.14063	0.3
113.02336	1.2
120.95908	0.4
122.97414	0.4
125.02343	0.4
132.55382	0.3
134.03619	0.4
135.04404	0.6
138.96968	1.1
141.01846	0.4
143.03470	0.3
150.96964	0.6
152.98534	1.5
164.98518	3.4
169.95958	0.3
180.98042	1.2
185.00810	0.4
186.99107	0.4
191.05603	2.9
198.99036	0.6
203.01859	0.4
207.10188	1.3
209.11736	1.7
222.99200	0.4
225.11296	1.0
225.44925	0.4
229.15866	0.3
241.00214	3.7
246.09451	0.4
256.99728	0.8
275.09152	0.8
285.03989	0.6
327.09390	0.5
371.15240	0.5
397.13898	0.6
449.14670	0.5
537.27240	1.1
567.28424	5.1
568.29022	0.8
575.17474	0.5
579.28192	0.4
609.29718	1.7
610.29584	0.5
649.38293	1.0
709.40509	0.6
717.33722	0.9
747.34747	27.9
748.35004	5.9
789.35748	18.6
790.36279	3.6
815.34692	1.1
833.34796	32.7
834.35382	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	26.3
61.98687	1.2
69.03338	4.2
69.36255	5.0
69.36675	2.1
71.01249	23.1
71.01618	1.5
72.99187	2.9
73.02832	3.9
73.35644	0.9
75.00774	1.0
78.95777	5.8
79.95634	1.5
80.02557	2.8
81.03315	5.4
83.01266	2.6
83.04892	8.5
84.02030	1.6
85.02823	5.6
87.00749	7.1
88.98695	1.0
89.02322	15.6
91.23122	0.9
93.03350	2.7
95.01272	1.8
95.04908	1.5
96.95887	13.3
96.96868	1.3
97.02831	13.9
97.06464	1.0
99.00755	4.1
101.02317	13.7
107.04926	2.3
109.02837	1.7
109.05722	1.4
109.06470	24.5
109.07178	1.6
110.03628	1.6
111.04399	1.5
111.38193	0.9
113.02310	8.2
119.03373	4.4
121.06499	2.8
123.04401	0.9
125.02363	4.8
125.05974	1.3
125.09626	3.5
129.01840	1.5
131.31329	0.8
133.02887	1.1
134.03621	2.3
135.04425	1.8
135.08011	5.8
136.05193	1.1
141.01854	2.5
142.02606	3.0
143.03410	2.1
152.99574	1.4
161.04504	3.4
161.09653	1.2
163.11188	20.1
164.11568	1.0
165.12796	2.7
171.10196	4.4
179.03482	1.0
179.05539	4.1
179.10735	1.3
181.12227	6.3
185.00854	2.3
185.11827	1.0
191.05576	5.0
191.10753	1.2
203.01958	1.6
207.10199	72.6
208.10510	4.7
209.11763	100.0
210.12123	5.4
217.12328	1.9
221.06674	2.3
221.11890	1.3
225.11270	40.2
226.11690	2.6
227.12820	15.1
228.13327	0.9
231.10185	2.1
235.08276	3.9
235.13370	1.5
241.01073	1.5
243.12585	1.2
249.11331	1.1
253.09406	1.1
255.23300	3.8
263.07721	1.3
263.12946	2.6
275.09235	3.6
279.23376	3.5
299.14862	0.9
373.24197	1.0
379.12564	3.2
395.94449	0.9
397.13434	28.5
397.18576	1.5
398.13794	2.1
399.21786	4.0
415.14618	8.6
416.15152	1.3
417.22797	6.6
435.23990	1.3
491.26788	1.1
605.24622	5.6
623.25555	7.5
624.25751	1.2
747.34961	2.3
789.36169	2.5
797.35883	13.5
798.36652	2.5
815.37122	20.5
816.37701	5.1
833.38123	35.1
833.52386	5.4
834.38367	7.6
834.52588	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	9.2
69.03329	0.9
69.60392	1.2
69.60821	1.3
71.01250	2.8
72.99171	0.5
73.02821	0.7
79.95611	8.3
80.96384	3.4
83.01234	0.5
85.02824	1.9
87.00754	0.4
89.02325	1.3
90.68687	0.3
95.95111	1.3
96.95890	100.0
97.02802	0.4
99.00709	0.5
101.02325	2.0
103.00246	4.5
113.02335	1.2
122.97425	0.4
135.04355	0.5
138.97002	2.2
141.01886	0.4
143.03442	0.4
152.98535	1.6
164.98582	4.2
180.98070	1.5
183.10474	0.4
191.05557	2.1
198.99182	0.4
209.11880	0.6
217.61189	0.5
241.00168	3.5
256.99649	0.6
565.27142	1.1
647.36536	1.1
665.37964	0.8
707.38354	1.0
745.33221	31.1
746.33441	5.0
787.34235	16.0
788.34540	2.5
813.32043	0.8
831.33331	27.4
832.33716	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	6.2
61.98694	2.6
69.03302	0.9
70.75179	1.4
70.75514	0.8
71.01248	3.0
78.95777	69.7
78.98460	2.4
79.95605	8.4
80.96393	27.2
85.02834	1.0
87.00747	1.6
92.92694	1.3
94.97971	4.8
96.95885	0.9
96.96847	15.9
96.97489	0.9
97.02837	1.3
106.97980	0.8
116.97124	1.4
122.97490	4.3
125.02363	0.9
134.97475	1.9
141.01590	7.2
143.99026	1.1
148.06300	0.7
148.99033	1.9
152.99503	19.1
164.98524	3.6
172.97020	0.6
206.99748	1.3
223.00108	6.7
223.02031	1.3
225.00758	4.5
239.06140	0.7
241.01143	29.6
242.01610	1.4
244.76357	0.7
255.23271	49.8
256.23669	3.7
259.02191	2.2
277.21729	32.8
278.21997	3.1
279.23154	0.8
297.03809	2.2
305.02328	2.0
391.22464	7.6
530.94421	0.8
553.27808	6.6
554.28235	0.8
571.28424	0.8
575.25958	1.1
831.50055	100.0
832.50354	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02026	0.2
63.02264	1.6
65.00191	3.3
69.75127	1.0
83.01250	2.7
91.01794	0.2
93.03326	0.6
103.60227	0.2
107.01266	8.2
108.01591	0.3
109.02828	1.4
117.57729	0.2
121.02833	8.1
122.03230	0.2
125.02303	0.3
139.03918	0.4
148.01535	0.2
149.02325	1.1
151.00266	32.3
152.00639	0.8
159.04317	0.2
161.02335	0.4
163.00291	1.6
163.03888	0.5
164.01045	0.5
164.28418	0.2
167.04791	0.2
169.01337	1.8
175.03951	0.3
178.99770	15.2
180.00130	0.5
183.69589	0.2
185.05991	0.2
185.50449	0.2
187.03918	0.4
190.99690	0.2
191.05542	0.4
193.01309	0.7
201.05521	0.7
203.03468	0.2
205.04964	0.3
211.03947	1.1
227.03423	0.8
229.04950	1.1
230.02072	0.2
239.03413	0.2
243.02864	0.3
245.04506	1.6
255.02936	1.6
256.03528	0.4
257.04517	0.6
271.02545	0.4
273.03973	2.0
283.02496	0.6
299.01898	1.0
300.02698	0.5
301.03500	100.0
302.03839	6.9
302.07285	0.3
306.25848	0.2
342.00757	0.2
371.78107	0.2
380.99185	33.1
381.99554	2.1
844.43903	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	33.0
61.60413	2.1
61.98688	11.9
69.03330	13.0
71.01255	29.0
71.04903	4.6
71.53392	2.4
73.02811	7.6
75.38316	2.4
75.43044	2.0
81.03312	4.7
83.01287	4.7
83.04877	7.2
84.02039	2.5
85.02827	20.3
87.00752	8.0
89.02306	14.5
93.03320	3.9
95.01259	3.2
95.04915	6.9
96.95905	3.4
97.02821	8.0
97.06466	21.7
99.07966	3.2
101.02327	25.7
102.05482	4.3
109.02820	2.5
109.06499	13.2
111.04446	2.9
111.08018	12.8
113.02359	12.3
119.03384	3.8
119.27716	2.0
121.06504	2.7
123.04374	4.1
123.08018	7.7
125.05962	5.7
125.09593	8.7
127.11166	4.2
135.04454	2.5
135.08006	4.9
137.09595	10.1
143.03371	3.0
143.07019	28.0
145.04970	3.1
150.19228	2.3
151.07530	4.6
151.11143	6.1
153.09024	3.9
155.06931	2.5
155.10667	10.2
161.04453	14.2
163.07582	4.7
163.11200	9.9
165.12718	9.3
165.37924	1.9
167.10727	3.6
169.08589	8.1
169.12236	6.1
171.10196	27.9
178.45195	1.7
179.05530	3.2
181.08545	7.7
181.12238	6.9
183.10155	16.5
183.13773	4.9
185.11703	9.1
191.05537	9.0
191.10583	2.6
191.14301	7.5
191.58173	2.2
193.12172	3.2
195.10146	3.5
197.11775	40.5
198.12093	3.1
199.09665	4.2
199.13263	4.3
201.11192	6.3
207.10190	5.5
209.11761	39.0
211.13335	27.0
212.13953	2.4
217.15851	6.2
221.11752	3.4
225.11305	4.6
227.12788	7.3
229.14343	8.8
235.08162	24.5
235.16983	6.9
237.11324	4.5
245.19040	12.5
253.09258	100.0
253.11919	4.8
254.09615	4.2
261.14917	6.9
262.14948	2.5
263.16400	4.7
263.20178	12.1
265.18079	2.7
271.17081	2.2
277.21695	3.8
279.16006	17.2
280.16382	4.3
281.17474	15.2
289.18069	82.5
290.18481	5.3
291.19650	21.0
293.21213	9.0
297.17047	35.9
298.17484	2.2
299.18628	69.2
300.19016	6.1
307.19131	79.7
308.19415	9.5
309.20682	74.2
310.21164	6.9
325.20145	15.9
326.20621	2.3
327.21716	83.5
328.22034	8.7
445.20605	7.5
488.98566	3.0
543.27808	7.9
545.29675	3.4
563.30658	5.2
589.36969	3.3
635.38824	2.6
727.38641	7.7
791.92609	2.5
812.51025	2.9
825.45972	7.6
826.48413	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00988	0.9
59.01250	9.1
61.98697	3.9
66.13723	0.6
66.35846	0.6
69.03318	2.8
71.01260	6.4
74.66714	0.6
76.14289	0.6
78.95776	0.7
83.04893	1.7
84.02036	2.0
85.02816	1.1
87.00761	0.7
89.02318	4.8
92.76699	0.6
92.78387	0.5
95.04903	0.9
96.95889	1.6
97.02828	1.4
97.06469	9.7
98.71821	0.5
99.00744	0.9
101.02297	4.4
111.82481	0.6
113.02341	2.9
113.05930	0.6
113.09573	0.6
119.03365	1.2
125.09616	2.3
137.09651	1.1
149.09639	1.1
151.11171	0.7
153.09210	0.8
161.04471	2.4
163.11169	0.7
165.12704	0.6
167.10687	13.5
171.10193	10.5
177.09024	0.7
179.05583	1.0
179.59909	0.7
183.13757	0.6
184.64917	0.6
185.11845	1.0
191.05547	1.6
191.61769	0.7
193.12276	12.7
195.10228	3.7
197.11787	1.3
203.18002	1.1
211.13348	3.4
221.11852	0.8
225.14902	17.2
226.15222	1.3
235.08165	2.1
243.16005	8.8
247.17068	4.3
253.09271	25.8
253.14363	1.0
254.09697	1.4
265.18076	78.7
266.18463	5.9
289.18063	0.9
291.19745	2.5
293.21338	0.7
305.21109	0.9
309.20786	1.3
323.22247	1.8
341.23309	100.0
342.23660	9.8
435.03183	0.7
501.27264	1.7
570.76715	0.7
577.32306	5.2
578.33014	1.0
589.41156	8.5
590.41632	1.4
654.21118	0.7
666.90253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	20.5
60.52209	2.1
61.98709	3.3
71.01234	4.0
71.44917	2.3
78.95776	3.8
89.02293	3.3
101.02299	4.1
101.50468	2.0
113.02338	2.4
121.10120	3.9
130.86781	1.9
152.99484	2.3
171.10196	25.2
183.13890	4.0
235.08063	1.7
235.16927	10.0
236.44778	2.1
249.18555	100.0
250.18918	8.1
253.09244	14.5
275.20132	52.0
276.20557	4.6
289.58047	2.0
293.21198	62.2
294.21472	4.7
337.72171	2.1
351.88675	2.3
444.60165	2.2
585.27155	3.2
655.61304	1.9
821.45758	2.9
822.47473	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	11.0
61.98692	7.5
67.50256	1.6
70.44382	3.9
71.01239	4.4
71.03280	1.5
73.85928	1.5
77.04587	1.7
78.95786	3.0
89.02343	2.6
98.19950	1.8
101.02328	3.2
128.09589	1.7
152.99507	2.0
161.04594	1.7
195.13882	9.5
223.13229	3.9
235.08279	4.0
249.18559	88.3
250.18829	7.8
253.09254	22.6
265.18106	4.0
275.20129	15.1
277.21811	10.0
293.21222	100.0
294.21524	8.1
301.59628	1.6
350.44763	1.5
400.83585	1.8
519.77429	1.6
548.34595	1.6
585.27014	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	75.1
61.98700	100.0
64.70191	2.1
69.03329	5.1
71.01254	31.8
71.53593	2.7
72.99155	3.0
73.02805	6.0
78.95792	2.7
83.01279	3.4
85.02814	13.6
87.00775	4.6
89.02328	9.6
95.01262	4.8
96.95885	21.2
97.02837	3.9
99.00756	3.7
101.02324	15.2
111.00758	2.3
113.02325	17.4
116.92751	4.8
124.01546	2.1
125.02324	7.7
135.04419	2.2
143.03413	4.4
154.12283	2.1
159.02963	2.9
161.04549	3.1
166.18486	2.3
171.10144	2.3
176.69405	1.9
191.05537	7.9
209.11798	2.6
298.20746	2.0
400.51111	2.0
400.56824	2.3
471.32999	5.9
489.34146	5.1
531.65118	2.1
615.37524	22.8
616.37408	2.9
633.38501	48.5
634.38910	8.4
651.39246	12.5
652.40765	2.3
675.39380	12.7
693.40771	19.7
694.40564	2.5
735.41486	3.2
823.37244	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	0.6
59.01250	18.7
61.98688	0.9
66.40480	0.3
66.56555	0.3
67.01760	0.4
68.99683	1.2
69.03316	0.5
69.32732	3.3
71.01252	20.9
72.99177	2.3
73.02814	1.8
75.00746	6.9
75.39292	0.4
82.14631	0.3
83.01266	3.2
85.02818	9.7
85.62293	0.4
85.99963	0.4
87.00748	1.5
89.02314	6.9
92.91545	0.3
93.03329	0.4
94.93527	0.3
95.01257	3.7
96.95877	1.7
99.00754	18.3
100.01058	0.4
101.02324	6.9
101.02908	0.3
112.01495	0.5
113.02338	7.7
115.00250	0.6
119.03371	1.6
128.93893	0.3
135.04427	0.3
139.00281	0.7
157.01334	1.1
163.06934	0.4
173.04530	0.6
191.05490	0.7
229.76318	0.3
439.32440	1.4
441.33810	2.3
442.33984	0.7
483.31326	1.6
485.32874	1.2
509.36374	0.7
523.34241	1.3
527.33832	0.6
553.35413	3.0
554.36334	0.6
555.37024	2.0
556.37445	0.5
567.33002	0.4
573.38019	0.5
574.37805	0.4
599.35944	4.9
600.36572	1.2
617.36084	0.5
625.33783	0.6
643.35089	2.3
644.35089	0.5
732.03815	0.4
761.41113	0.7
823.41235	100.0
824.41522	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01585	0.8
61.98702	17.9
65.64666	0.7
69.03311	1.0
71.01251	3.7
71.53398	1.5
73.02842	0.8
75.00734	1.1
80.96400	2.4
83.04876	0.7
83.39310	0.7
85.02827	1.0
87.00749	0.9
88.98676	1.5
89.02308	1.9
97.02857	2.3
101.02354	2.2
109.06512	0.8
113.02331	1.6
119.03406	0.8
125.02383	0.9
125.09609	1.1
133.88937	0.7
135.08032	0.7
139.86861	0.7
140.74608	0.7
141.01601	57.2
142.05081	1.0
151.62630	0.7
168.22896	0.7
191.05577	1.9
192.28477	0.9
193.32347	0.7
197.11807	1.5
209.11780	2.4
235.08173	1.6
274.67624	0.8
277.21713	6.1
359.21912	5.0
397.13535	13.3
415.14645	3.2
419.11868	2.7
425.92996	0.8
437.12781	4.2
528.16882	0.8
697.34631	1.7
720.21375	0.8
817.51929	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	15.9
61.98703	19.0
67.01763	1.0
69.03309	1.0
71.01255	7.2
72.99172	1.2
73.02815	1.1
75.00733	2.3
79.95594	9.2
80.96395	4.7
83.01250	1.5
83.04899	2.0
85.02850	4.1
87.00738	2.3
89.02341	4.4
93.03328	4.8
96.95886	100.0
97.02823	1.2
99.00769	0.9
101.02314	6.5
103.00236	4.6
111.04379	1.2
113.02305	2.2
116.92747	1.0
119.03387	1.0
125.02359	1.7
133.02858	1.0
135.04385	1.6
138.96994	1.5
143.03394	1.0
152.98552	1.6
161.04402	0.8
161.15826	0.6
163.11142	1.4
164.98555	3.3
171.10219	1.3
173.04504	1.6
177.01773	0.7
179.03366	1.1
179.05582	1.0
180.98035	1.3
181.08595	2.1
185.00902	0.8
191.05525	8.4
209.11751	20.4
210.12135	2.1
211.13345	17.9
212.13744	1.0
227.12811	3.4
241.00116	4.6
245.50601	0.7
341.23383	1.1
379.12589	1.5
397.13568	8.7
415.14566	2.5
523.29504	1.2
553.30573	10.0
592.27222	0.8
595.31732	3.9
733.36810	26.8
734.36700	4.1
775.37878	15.2
775.51666	1.0
776.37885	3.2
801.36230	1.8
819.36719	40.2
820.37451	7.7
830.98303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.9
69.03321	1.7
71.01242	6.1
71.11234	2.1
77.11124	1.0
82.85538	1.0
85.02818	2.0
89.02316	4.8
89.38885	0.9
89.55124	1.0
94.02866	1.2
96.95915	2.7
101.02332	1.8
119.03447	1.2
120.04441	1.7
122.06017	8.0
135.04402	1.1
146.02365	3.3
146.05980	1.1
147.03156	1.6
148.03923	3.0
172.07596	2.0
173.03444	1.8
174.01871	3.4
175.02605	2.3
176.03476	6.5
191.05524	4.7
199.08742	1.3
202.03709	1.2
206.04536	4.2
208.06192	3.0
210.07764	1.5
211.05147	1.6
212.05727	1.7
212.09340	1.4
213.06546	5.1
221.61678	1.0
222.07889	1.2
223.05136	1.8
223.08711	2.8
224.05850	3.6
225.06647	21.7
225.10222	1.5
226.07416	11.8
227.04778	2.1
227.08168	14.7
227.11765	1.6
235.08725	1.3
238.07448	8.9
239.08174	13.6
240.08910	9.0
241.09784	7.1
251.04498	1.9
251.08038	4.9
252.05379	13.9
252.08897	3.9
253.06160	34.1
253.09549	6.4
254.06689	4.2
254.10396	2.1
255.07683	5.3
264.05432	2.2
265.06183	10.1
265.09827	2.4
266.06973	33.7
266.10498	4.8
267.07697	30.1
267.11353	9.4
268.08441	10.3
268.12048	3.0
269.09222	3.7
273.08810	1.5
277.09921	2.0
279.07739	15.6
280.08508	25.9
281.09195	10.3
282.10074	1.7
284.07944	3.3
285.08755	12.8
287.10312	1.8
293.09372	7.5
294.10089	19.3
295.10840	61.5
296.11517	9.5
297.08759	1.7
298.09561	14.9
299.10333	29.4
300.11096	16.9
301.11566	2.3
308.08228	1.2
321.08762	3.7
322.09634	3.1
327.13376	2.8
337.08411	1.4
338.09024	4.4
339.09741	11.9
340.10687	9.7
341.11340	1.2
362.15222	6.0
371.12299	1.7
374.11450	2.7
388.12988	9.2
389.13684	3.5
390.14450	3.4
402.14572	1.8
406.14255	2.9
416.16132	5.0
417.16910	4.6
418.17584	3.1
420.15683	9.4
421.16385	9.6
422.17407	2.6
448.18848	4.9
460.15039	4.0
461.15952	3.3
462.16776	4.4
492.17972	5.1
493.18332	3.6
494.19019	1.3
497.88452	1.1
535.19165	1.5
594.21783	1.3
613.23206	1.2
614.23096	5.5
622.23590	1.5
666.23193	4.1
667.24030	11.1
668.24017	1.7
698.26300	2.6
717.27747	5.9
718.28522	1.4
745.30811	11.0
746.32422	2.1
749.30328	52.1
750.30634	8.7
777.33582	14.4
778.34430	2.3
789.29810	100.0
790.30090	24.1
803.31439	2.1
821.32581	47.0
822.32428	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.3
59.01250	2.5
63.96104	2.2
69.03321	1.1
70.75529	0.7
71.01250	9.6
72.99210	0.4
73.02814	2.4
74.37926	0.3
78.81089	0.3
78.98460	7.6
79.95605	16.1
80.96390	100.0
81.03326	0.9
81.96322	0.3
83.01235	0.9
85.02817	4.0
87.00765	3.7
93.97191	0.6
94.97960	23.2
95.01303	0.5
96.95891	1.1
97.02826	2.0
98.72627	0.3
99.00760	0.5
99.04420	0.5
101.02316	3.1
106.97964	3.5
113.02319	0.6
122.97462	3.8
125.02329	3.2
127.03896	1.2
134.97479	6.4
136.99054	1.7
141.01588	1.2
148.97937	0.6
148.99042	6.6
152.98537	7.0
164.98541	13.1
167.00082	0.4
178.55128	0.3
184.62674	0.3
188.98595	0.5
206.99608	2.8
223.01944	0.4
225.00688	17.6
226.00957	0.8
251.90581	0.3
255.23344	1.8
275.38202	0.3
277.21622	1.6
293.21320	0.3
305.02457	0.3
325.12051	0.3
393.86923	0.4
537.27478	1.9
538.27612	0.5
559.25903	1.0
815.49799	98.5
816.50146	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01222	6.1
63.55158	4.6
64.17231	5.4
70.59658	5.3
71.01243	8.8
71.08960	9.6
78.98473	8.4
79.95604	13.4
80.96388	100.0
85.02790	5.3
94.97965	24.0
96.09059	5.7
97.02780	4.8
125.02373	5.4
134.97522	6.2
148.99065	10.3
152.98557	9.2
161.99870	5.3
164.98526	10.8
194.04753	6.4
216.81815	5.3
225.00719	21.2
358.38947	5.2
370.57260	5.7
815.49774	78.2
816.50104	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01579	1.2
61.98701	31.8
62.17614	0.7
69.03310	1.1
71.01254	4.3
71.53689	0.7
73.02795	0.8
75.00738	1.2
79.16621	0.8
79.95618	1.2
80.96378	3.5
81.30887	0.8
85.02821	0.9
87.00743	1.1
88.98678	0.9
89.02300	2.4
94.97953	1.3
95.01263	1.0
96.99191	2.1
97.02803	2.9
101.02291	2.1
111.78358	0.8
113.02339	1.6
125.02338	0.9
134.97469	0.8
141.01605	62.1
142.02077	0.8
142.04927	1.4
209.11737	1.3
235.08025	0.9
254.91135	0.9
277.21783	6.7
305.08594	1.0
359.22037	4.7
383.15060	0.8
397.13434	13.0
398.13895	1.6
415.14633	2.6
419.11572	2.8
437.12564	3.5
697.33752	2.8
817.50513	2.3
834.20410	0.9
841.06879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
59.01249	8.5
70.02670	0.6
70.44899	2.1
71.01254	5.6
72.99163	0.8
81.76783	0.6
85.02822	2.6
89.02316	4.0
96.95878	1.5
101.02321	2.2
103.62067	0.6
107.08521	0.9
109.06467	0.8
111.04405	1.3
113.02329	3.2
119.03387	0.7
133.10138	1.6
135.08052	3.0
153.09117	66.1
154.09486	3.0
179.05493	1.0
191.05511	2.1
195.10124	0.9
197.08127	100.0
198.08415	4.6
249.65244	0.7
290.67773	0.7
334.00583	0.8
359.13440	29.5
360.13873	2.8
386.88263	0.8
460.75598	0.7
747.32977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45888	0.5
57.03305	1.5
58.47103	0.5
59.01249	6.4
61.98697	3.2
69.03313	1.6
71.01254	5.8
71.04898	0.6
71.13335	0.4
73.02809	1.0
75.00737	1.0
80.91619	0.4
83.01285	0.6
85.02806	5.2
87.00762	2.7
89.02315	4.4
95.04886	0.8
96.95870	1.8
97.02773	1.0
97.06460	2.6
99.08016	0.9
101.02337	4.9
106.33971	0.5
113.02350	3.3
113.09675	0.6
114.87776	0.4
117.79497	0.5
119.03357	1.4
122.08134	0.5
125.05978	1.4
137.09592	1.4
143.07027	10.2
143.90326	0.5
145.04936	1.1
149.09581	0.9
155.10698	1.3
161.04430	2.6
171.10191	1.8
179.05479	0.9
179.14240	0.6
183.10152	3.3
191.05589	0.6
195.13847	8.1
196.14449	0.6
201.11282	2.2
209.11670	0.6
211.13348	1.0
223.13339	5.3
227.17720	0.5
228.13564	0.7
235.08192	9.1
253.09256	38.8
254.09534	1.5
256.13129	1.0
263.16470	1.7
265.18134	0.7
275.20151	7.1
281.17554	1.3
293.21219	100.0
294.21552	6.9
299.18619	33.2
299.23633	0.9
300.18967	2.2
318.19073	0.5
327.21780	1.0
492.21777	1.2
529.30133	2.9
535.27814	1.2
575.39716	2.1
631.38434	3.9
766.37177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.7
58.00446	1.5
59.01250	8.5
61.98696	3.2
64.91685	0.6
69.03315	2.4
69.25986	5.5
71.01249	8.6
73.02823	1.3
78.95775	0.8
83.01264	0.9
83.04903	1.4
85.02818	8.9
85.30003	0.5
87.00758	1.5
89.02318	4.1
91.27937	0.5
93.03345	0.7
95.01256	0.6
95.04896	1.5
96.95884	1.4
97.02818	2.2
97.06457	4.7
101.02325	4.8
109.06461	0.7
113.02345	3.6
119.03326	1.1
119.08539	0.8
121.02840	1.0
125.09624	2.0
127.11179	1.9
137.09615	3.0
149.09608	0.8
151.11174	0.8
155.10666	1.6
155.23065	0.5
161.04477	2.2
163.11182	0.7
165.12788	1.0
167.10690	15.8
167.14378	0.5
168.11029	0.8
171.10178	23.1
172.10535	1.3
177.09164	1.4
177.12698	1.1
179.05521	1.5
181.12320	0.6
182.10190	0.6
183.13884	3.5
185.11740	1.6
191.05537	1.0
193.12195	1.0
195.10226	3.7
195.13757	0.5
197.11726	1.2
199.13284	0.7
200.10463	0.6
201.11182	1.0
203.18015	1.1
207.10272	1.3
209.11774	4.5
210.14009	0.5
211.13330	19.3
212.13652	1.7
212.30621	0.5
215.12729	0.5
220.99573	0.6
221.11720	3.9
229.14365	12.4
229.16473	0.9
230.14851	0.8
235.08211	4.5
239.12827	2.3
245.19215	0.8
247.16994	4.4
248.17300	0.7
253.09264	32.1
254.09604	1.1
265.18076	90.1
266.18408	8.4
287.38223	0.5
289.18039	1.0
291.19638	6.5
293.21118	1.2
309.20697	13.7
310.21136	0.7
327.21756	100.0
328.22049	9.2
328.25589	0.9
402.60959	0.6
501.27112	1.8
545.29706	2.1
547.20020	0.6
563.30682	8.6
564.30969	1.2
575.39459	5.8
576.40021	1.1
804.54419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.0
61.34131	0.5
61.98693	1.6
69.03326	0.9
71.01251	5.5
71.53733	1.0
73.02821	0.8
75.48619	0.5
78.95781	1.2
81.03387	0.5
83.01247	1.1
83.04877	0.7
84.02042	6.8
85.02807	1.8
87.00741	1.1
89.02331	4.4
97.02831	1.7
97.06472	5.2
99.04402	1.7
101.02332	4.2
113.02324	2.4
119.03375	1.3
125.09612	1.7
127.11028	0.7
137.09604	1.4
141.80795	0.5
143.03407	0.9
143.07036	2.0
152.99496	0.9
161.04466	1.9
165.12753	1.0
171.10181	15.0
172.10490	0.8
177.12749	0.8
179.05508	0.8
183.13797	5.5
193.12270	6.8
197.11736	0.6
205.19606	0.6
211.13322	3.6
221.11902	0.6
225.14877	11.9
226.15184	0.9
231.17480	0.7
233.15323	0.6
235.08118	4.4
243.15979	5.4
249.18570	79.9
250.18939	6.2
251.16582	0.6
253.09280	20.5
253.14479	0.8
254.09546	0.7
265.18112	0.9
273.18829	0.6
277.21722	2.2
291.19614	3.0
294.18661	0.6
305.21344	0.9
323.22287	4.8
341.23303	100.0
342.19946	0.8
342.23688	9.5
381.22321	0.5
555.47351	0.6
559.31543	0.8
573.41742	5.5
574.42133	1.0
577.32227	2.3
665.54419	0.6
731.19476	0.5
809.47369	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.4
58.00467	1.3
59.01250	11.4
61.98712	5.2
64.06978	0.5
69.03304	2.7
70.05913	2.5
71.01250	8.5
72.99146	0.8
73.02847	2.7
77.43826	0.5
78.95769	1.0
79.95596	0.6
83.01257	1.1
83.04902	1.6
85.02827	2.4
87.00742	1.4
89.02320	6.8
93.06956	0.8
95.01280	0.8
95.04887	1.5
96.95887	2.5
96.96857	0.7
97.02798	1.3
97.06478	1.4
101.02328	8.1
109.06474	1.7
111.04366	0.6
111.08039	19.5
113.02346	4.6
113.83524	0.5
119.03374	2.0
121.10110	0.7
123.08057	1.3
124.34003	0.6
125.02345	0.7
125.05998	0.9
125.09605	4.7
127.07559	2.4
131.03418	0.7
137.09616	1.8
139.11153	0.9
141.09071	1.9
143.03424	1.1
143.07051	0.8
147.15176	0.6
151.07524	2.6
153.09097	1.6
153.12752	1.4
155.10701	1.2
161.04466	5.1
163.11195	1.0
165.12747	2.1
169.08620	29.4
169.12251	6.8
170.08949	1.5
171.06299	0.7
171.10185	5.5
179.05518	1.5
181.12283	2.2
183.10144	6.1
183.13824	0.9
191.05441	0.7
197.11772	68.2
198.12073	3.8
199.09735	0.9
199.13300	4.1
209.11790	1.6
211.13361	9.9
211.66948	0.6
212.13676	0.9
219.17564	1.4
227.12856	2.6
235.08202	4.9
235.16911	2.0
237.14912	1.7
245.15466	0.7
247.20671	1.1
253.09273	46.4
254.09689	1.5
263.16531	12.3
263.20087	4.7
264.16830	1.3
265.18076	2.4
266.18347	0.8
273.18674	1.3
278.12299	0.6
281.17587	60.1
282.15356	0.7
282.17926	4.3
291.19666	28.1
292.20013	2.2
293.21109	1.3
309.20709	100.0
310.21027	9.6
325.20401	0.6
433.20941	1.0
527.28790	0.8
545.29718	3.1
573.37848	3.2
631.49091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.4
59.01240	16.4
59.77061	2.1
61.98705	27.6
64.74950	2.0
69.03307	6.4
69.34278	4.8
69.34686	13.2
71.01254	12.2
78.95770	4.2
83.04877	2.8
85.02822	2.5
87.00739	2.4
89.02309	4.8
93.06978	2.3
96.95880	5.9
96.96846	3.6
97.02850	3.3
97.06474	5.0
98.20561	5.3
99.00689	2.6
101.02296	6.7
109.06487	2.2
111.08067	15.6
113.02311	4.0
125.09671	2.5
137.09615	3.0
137.20166	2.4
139.11137	3.5
143.07077	3.3
147.21245	2.1
151.11194	2.7
153.09097	3.2
161.04428	3.1
169.08566	12.3
169.12283	6.2
171.10181	8.7
183.10168	5.7
183.13690	2.7
191.05424	2.6
197.11771	62.6
198.11998	4.3
199.09683	2.8
199.13385	3.8
211.13312	12.4
219.17465	5.4
227.12773	3.3
235.08153	6.2
235.17093	2.5
249.18526	3.1
253.09259	53.1
263.16510	17.5
263.20157	3.5
265.17999	3.8
279.23276	12.4
281.14432	3.4
281.17554	61.4
282.18011	5.1
291.19659	43.9
292.19785	2.3
295.22568	2.8
309.20700	100.0
309.24298	4.9
310.21048	12.1
368.99112	2.3
416.34769	2.0
430.03708	2.2
504.31000	7.4
545.29254	4.2
573.38092	2.7
663.51599	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80916	0.9
57.03321	1.5
57.15049	0.8
58.00448	1.0
59.01246	17.3
60.52845	0.8
61.71169	0.8
61.98702	30.9
68.18000	0.9
68.99671	1.4
69.03310	1.6
70.68280	1.4
70.68603	1.4
71.01250	21.1
72.99176	2.5
73.02827	2.9
75.00737	10.3
83.01250	3.2
85.02819	20.2
87.00755	3.2
89.02310	8.0
93.03345	1.2
95.01247	4.6
96.95882	6.9
97.02813	1.0
99.00755	17.8
101.02328	7.9
112.01534	1.2
113.02334	13.0
116.92725	2.4
119.03371	2.2
157.01334	2.1
182.60068	0.9
191.05537	3.0
209.11604	1.2
230.48424	1.0
266.00745	0.9
293.64465	0.9
376.64212	0.9
439.31979	1.5
471.35095	5.3
472.35358	1.4
477.22473	0.9
553.35461	1.2
567.36816	0.9
585.37866	2.5
603.38916	1.4
629.37195	2.9
655.35120	1.1
809.43317	100.0
810.28381	1.3
810.43652	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.1
59.01250	12.0
61.77538	0.6
61.98711	3.6
69.03333	3.4
70.68721	1.5
71.01254	8.3
72.99162	1.1
73.02797	2.1
78.95756	1.9
81.03316	0.8
83.01227	0.7
83.04898	0.9
85.02814	3.4
87.00745	2.7
89.02296	6.1
93.06974	1.1
95.01241	1.1
95.04911	0.7
96.95885	6.3
96.96832	1.4
97.02816	4.1
97.06469	1.8
97.45627	0.7
101.02326	9.2
107.04940	0.7
109.06466	1.8
110.03577	0.9
111.08038	16.0
113.02323	3.8
116.92695	0.8
119.03365	1.6
123.08024	2.0
125.05933	0.9
125.09616	5.7
127.07546	1.7
127.11236	1.0
131.03400	1.8
137.09604	2.9
138.82114	0.7
139.11195	0.8
141.09102	1.8
143.03363	0.8
143.07001	1.2
145.29208	0.7
149.09708	1.2
151.07550	2.8
151.11154	1.1
153.09116	2.0
153.12741	1.4
155.10634	1.2
159.14896	0.6
161.04449	4.9
163.07462	0.8
163.11145	1.7
165.12749	2.8
167.10739	1.0
169.08607	30.3
169.12262	6.0
170.08945	0.8
171.10155	6.4
179.05557	1.9
181.12254	2.0
183.10223	4.4
183.13852	1.3
185.11694	0.9
191.05554	1.4
193.12219	1.2
195.13879	1.1
197.11768	54.4
198.12117	2.9
199.09663	2.2
199.13300	2.7
209.11719	1.0
209.15384	0.8
211.13298	8.5
219.17473	2.4
227.12804	3.3
235.08211	5.3
235.16910	2.1
237.14944	1.0
247.20576	3.6
249.15103	1.1
251.16464	0.7
253.09267	40.7
254.09599	1.3
263.16510	14.8
263.20071	3.3
264.16751	1.1
265.18051	2.4
273.18604	2.4
281.17557	50.7
282.17917	3.8
291.19656	36.7
292.20090	3.3
293.21146	7.1
297.16998	1.6
299.18323	0.8
309.20700	100.0
310.21033	8.8
311.91769	0.7
399.54855	0.7
433.20886	1.1
517.26483	0.8
530.39685	0.7
545.29895	2.6
564.34033	0.7
573.37549	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.0
58.00463	3.4
59.01249	62.2
60.01583	0.7
61.98702	11.5
65.14364	0.5
68.99686	1.1
69.03327	3.7
70.40128	1.5
71.01253	63.6
72.01600	0.7
72.99178	4.5
73.02818	11.6
75.00755	0.9
81.03323	2.3
83.01253	10.4
83.04900	0.9
85.02819	15.9
85.99960	1.5
87.00749	17.8
88.01089	0.7
89.02316	45.9
90.02631	0.8
91.03876	0.6
93.03333	0.6
95.01259	5.7
96.95898	1.2
97.02824	6.6
99.00769	2.3
99.04403	1.1
101.02323	49.3
102.02676	0.9
109.02838	0.6
111.00761	1.3
111.04400	1.0
112.20487	0.5
113.02330	30.2
114.02646	0.7
115.03908	1.0
116.92760	0.8
119.03387	9.7
121.02842	0.7
125.02328	17.6
129.01831	0.5
131.03401	8.2
133.04959	1.1
139.03871	0.9
141.01848	0.9
143.03389	7.6
145.04956	1.3
149.04454	0.8
151.03922	0.7
161.04465	16.1
162.04831	0.5
167.03406	0.7
169.04948	0.7
179.05539	13.7
180.05766	0.8
191.05569	0.9
203.05560	2.1
209.11720	0.7
221.06624	6.6
235.08173	7.2
245.06483	1.3
249.18564	31.0
250.18953	2.4
253.09283	10.9
254.09789	0.6
263.07742	2.1
268.85107	0.5
287.07718	1.1
305.08820	2.2
323.09863	4.0
365.10864	1.0
379.12292	2.1
383.11932	2.0
397.13474	49.1
398.13797	4.7
408.44022	0.5
415.14551	21.0
416.14874	2.0
421.64468	0.5
425.13025	1.1
439.14532	1.6
485.15182	2.2
541.18005	0.7
541.59619	0.6
559.18756	100.0
560.19147	12.7
577.19812	33.2
578.20032	4.5
647.32715	1.2
809.38788	4.0
810.39368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.9
65.00180	0.5
69.03316	0.7
70.55572	1.0
70.55930	1.3
71.01258	1.7
81.03338	0.9
85.02840	0.9
87.38586	0.5
91.01788	0.8
93.03335	1.6
96.95892	5.4
99.36691	0.6
101.02350	1.2
108.02056	4.7
109.02840	100.0
110.03178	2.3
117.03378	0.7
119.04922	29.3
120.05246	1.0
121.02850	0.9
133.06502	4.4
134.87617	0.7
135.04420	3.6
137.02353	0.7
145.02829	3.0
153.01843	91.1
154.02199	2.6
155.10696	3.3
161.04669	0.8
161.05965	8.4
162.06320	0.7
163.03928	16.1
164.04329	0.8
177.01796	0.9
179.03429	2.5
181.08606	0.9
187.03964	0.8
191.05551	3.8
195.02866	0.9
199.09715	4.0
205.05003	21.6
206.05376	1.1
209.11742	1.1
241.10767	1.3
283.11877	1.7
343.13870	4.2
363.52698	0.6
489.17569	0.7
507.18744	8.7
508.19003	1.3
549.19775	6.4
550.20374	1.2
591.20502	1.9
633.22540	0.7
641.20868	0.8
651.23395	1.2
781.20172	0.7
805.26227	2.5
806.25708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.2
62.01731	2.8
65.70387	2.6
78.95775	76.0
79.95576	3.8
80.96372	8.3
84.02044	7.8
96.96835	6.7
97.06459	10.3
98.19814	5.2
99.04407	3.2
106.36028	2.5
114.33198	2.2
143.78041	2.5
147.13931	2.7
150.49089	2.6
152.99484	94.7
171.00571	11.4
171.10202	26.2
193.12338	14.7
197.44022	2.6
199.09691	3.4
209.11594	2.7
211.13278	5.3
225.14906	27.4
227.03302	6.9
243.15981	13.4
253.21712	26.4
255.23262	5.9
272.23111	2.7
291.19635	4.3
341.23282	45.0
342.23679	5.7
477.22592	6.2
551.26263	8.0
569.18365	4.8
569.27368	100.0
570.27478	14.4
805.48615	96.3
806.49652	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.4
59.01255	3.2
61.98707	1.9
71.01252	3.2
73.02840	0.5
78.95762	1.0
85.02832	0.7
87.00764	0.6
89.02318	1.9
98.20638	0.8
101.02338	2.3
107.56672	0.4
111.08038	0.5
113.02355	1.2
130.50642	0.4
133.61209	0.4
152.99481	0.9
161.04460	0.9
171.10164	0.6
179.05481	0.5
179.14320	0.8
195.13834	9.6
196.14478	0.8
205.12291	0.9
211.13388	0.6
217.16895	0.5
223.13329	5.8
228.13548	1.0
235.08182	0.9
253.09258	15.4
256.13086	1.4
275.20184	6.0
276.20642	1.0
293.21231	100.0
294.21579	9.5
492.21744	0.7
529.29980	0.7
569.42072	1.5
805.44067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20198	0.3
61.98701	100.0
85.37260	0.5
116.23444	0.3
123.29299	0.3
126.08314	0.4
157.89227	0.4
200.73058	0.4
222.95544	0.3
225.28461	0.3
282.87833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.5
58.00458	4.2
59.01252	58.4
61.98703	34.2
69.03335	2.5
70.21844	0.9
71.01254	61.0
72.01572	1.3
72.99178	5.8
73.02818	10.4
75.00771	1.8
79.60365	0.9
81.03333	1.9
83.01256	9.2
85.02821	15.4
85.99957	1.7
87.00752	18.4
89.02318	42.4
93.03336	1.2
95.01257	5.1
96.95903	5.0
97.02847	5.9
99.00758	4.7
101.02322	46.3
109.02811	1.2
113.02335	31.1
116.92727	1.7
119.03384	9.6
125.02346	15.1
131.03378	4.0
133.04910	1.0
135.56407	1.0
139.03874	1.2
143.03413	8.0
153.46396	1.0
158.13121	1.1
161.04478	13.6
179.05544	12.3
181.08623	1.5
191.05519	2.7
203.05458	2.0
209.11819	1.4
210.34885	1.0
221.06653	5.9
235.08171	6.9
249.18573	26.7
250.18884	3.7
253.09305	12.8
263.07678	1.4
287.07657	1.4
291.19629	4.7
299.18695	1.3
305.08780	2.0
309.20721	1.6
323.09827	5.2
379.12457	1.9
383.11871	2.5
397.13467	52.1
398.13895	4.8
415.14566	24.1
416.14636	2.4
439.14075	1.2
445.77029	1.0
485.14792	1.8
500.05765	1.1
541.17859	1.4
559.18781	100.0
560.19183	13.1
577.19843	35.6
578.20215	4.3
750.85168	1.2
765.32751	1.6
809.43805	11.7
810.43231	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.6
58.00458	0.4
59.01250	5.8
61.98710	2.3
69.03324	1.2
69.37489	1.4
69.37922	0.9
71.00854	0.3
71.01250	5.6
72.99161	0.3
73.02814	2.4
78.95782	0.4
83.01257	1.2
83.04903	0.6
85.02828	4.6
87.00758	2.6
89.02320	3.1
91.03857	0.3
95.01250	0.4
95.04893	0.5
97.02818	0.9
97.06471	1.8
98.20507	0.4
99.00759	0.6
99.08039	0.9
101.02319	6.4
103.03851	0.5
113.02328	3.3
113.05946	0.3
115.03860	0.3
119.03416	1.4
122.86568	0.2
123.07996	0.3
125.02305	0.6
125.05980	0.7
127.07565	0.5
127.11225	0.3
133.04973	1.2
137.09605	1.0
139.11159	0.5
143.03394	0.7
143.07040	8.2
145.04974	1.8
149.09567	0.6
155.10736	1.7
157.04944	0.4
161.04453	2.4
163.47810	0.3
169.08635	0.2
171.10068	0.4
183.10178	3.5
184.66025	0.3
201.11275	1.6
209.11745	0.3
219.17432	0.3
223.13474	0.5
226.99402	0.2
233.22638	0.3
235.08189	15.6
236.08548	0.6
241.14322	0.2
253.09261	18.2
254.09651	1.5
263.16562	1.3
275.20102	0.3
277.21713	100.0
278.22064	9.9
281.17569	4.0
282.17856	0.4
299.18622	27.3
300.18933	2.1
401.59158	0.3
503.03278	0.3
513.30664	0.8
517.26678	0.8
535.27533	0.4
559.40540	0.5
693.57068	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.6
63.96101	1.7
69.03300	0.5
71.01250	6.3
71.45266	0.8
73.02826	1.7
78.98455	6.2
79.95128	0.6
79.95606	11.8
80.96388	66.1
81.03349	0.7
85.02813	2.6
87.00741	2.8
88.16866	0.4
94.97957	14.6
96.95895	1.3
97.02792	1.0
99.00748	0.8
99.04416	0.5
101.02312	1.6
106.97952	2.7
122.97453	3.0
125.02322	2.7
127.03846	0.7
134.97469	4.6
136.99059	1.2
142.10826	0.4
148.99054	5.9
152.98547	5.1
164.98537	11.2
164.99831	0.8
206.99580	2.5
209.11760	1.7
225.00690	17.6
226.00998	0.6
255.23239	0.7
537.27136	1.3
541.19476	1.4
579.22559	0.4
765.40656	1.4
784.24207	0.5
797.43561	100.0
798.43903	21.0
798.58929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.8
59.01240	1.7
60.57991	0.4
61.98697	1.4
69.17303	3.7
71.01247	1.0
78.95763	0.4
83.04880	0.9
85.02813	0.6
95.01326	0.4
96.95890	0.7
97.02827	0.7
97.06457	1.1
98.19769	0.7
99.08008	0.6
102.05505	1.9
113.09593	2.8
121.10127	0.7
122.94308	0.4
125.09599	0.9
127.11149	1.1
133.78983	0.4
137.09625	0.6
139.11177	11.3
140.11604	0.4
149.09703	0.4
153.09102	0.4
153.12698	0.4
155.10695	1.3
163.11143	0.6
165.12726	0.6
167.10698	1.0
171.10173	17.8
172.10466	1.1
177.12738	0.7
179.10730	0.6
181.08601	1.6
183.10071	0.6
183.13776	0.5
185.11732	1.6
191.05501	1.4
193.12273	0.6
194.81146	0.4
195.13788	0.9
197.11746	0.9
201.11333	0.9
209.11758	0.8
211.13333	2.4
215.44759	0.4
239.12775	0.6
249.18570	1.3
249.22166	1.4
253.09253	1.1
275.20126	1.1
277.21713	2.0
279.16107	0.5
288.50879	0.4
293.21225	16.3
294.21558	1.5
311.22266	100.0
312.22626	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.4
61.98721	0.1
63.65456	0.1
65.44546	0.1
65.98132	0.1
66.07439	0.1
69.36374	0.9
69.36779	0.2
71.01247	0.3
72.92200	0.1
73.02845	0.3
74.57122	0.1
78.95795	0.1
85.02809	0.1
93.03299	0.1
96.95843	0.2
101.02310	0.3
107.11742	0.1
116.92735	0.3
133.06508	0.6
143.30316	0.1
149.09619	100.0
150.09952	5.7
150.11722	0.1
161.04314	0.1
191.05579	0.3
203.05548	0.2
313.03238	0.1
353.16046	1.6
354.16656	0.1
382.60632	0.1
415.05624	0.1
730.84088	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.8
59.01249	10.8
61.98704	4.5
69.03320	1.9
70.74142	1.2
71.00902	0.6
71.01256	8.3
71.04891	1.0
72.99171	1.0
73.02811	1.6
78.95782	1.2
83.01250	1.3
83.04904	1.3
84.02042	1.0
85.02819	9.2
85.06432	0.5
87.00749	1.0
89.02312	7.1
91.03873	0.7
95.01279	0.7
95.04919	0.7
96.95882	0.5
97.02827	1.7
97.06472	3.7
99.00739	0.6
101.02327	6.5
102.75833	0.5
111.08051	0.8
113.02328	4.3
119.03397	1.5
125.02281	0.9
125.05913	0.5
125.09602	1.1
127.07455	0.7
127.11169	1.5
131.19247	0.4
133.04898	0.6
137.09630	2.3
138.10017	0.4
143.03383	1.9
144.00026	0.6
148.36238	0.4
152.99495	0.6
155.10651	1.3
161.04460	3.0
165.12833	1.1
167.10649	0.9
169.08626	0.9
171.10181	25.5
172.10507	1.4
177.12802	0.8
179.05501	1.5
179.14330	0.9
183.13841	6.4
185.11755	1.2
193.12131	0.7
195.13847	3.0
197.11826	0.9
201.11250	1.3
205.12251	1.2
209.11743	1.4
211.13345	16.4
212.13690	0.7
221.11804	1.4
223.13350	8.3
223.16817	0.6
224.13675	0.6
227.12778	0.6
229.14377	9.7
233.15393	0.5
235.08162	7.3
239.12857	1.9
247.20840	0.5
249.18571	65.6
250.18893	5.8
251.16415	1.0
253.09253	32.5
254.09622	2.1
267.19629	1.3
269.81339	0.5
275.20172	0.9
276.20541	0.5
277.21677	1.6
281.17538	1.0
282.17917	1.5
283.18427	0.5
291.19653	7.9
292.19958	1.3
293.21204	11.5
294.21591	5.1
295.21832	1.7
309.20706	21.7
310.21036	2.0
327.21759	100.0
328.22104	10.7
459.22089	1.3
545.29596	2.8
559.40088	3.5
560.40222	0.5
563.30670	5.0
564.30902	0.6
623.27911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4381
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03313	1.7
58.00460	1.2
59.01248	18.4
61.76441	0.5
61.97435	0.6
61.98702	20.7
62.27738	0.5
68.99690	1.5
69.03319	1.0
71.01257	24.4
71.53255	0.9
72.99178	1.9
73.02808	2.4
75.00748	10.0
78.95787	0.9
79.95628	0.6
83.01258	3.6
83.01658	0.5
85.02350	1.0
85.02824	11.1
87.00753	1.6
87.33416	0.5
89.02321	6.3
95.01245	4.1
96.95876	3.2
99.00766	18.2
101.02316	8.1
111.00745	0.9
112.01535	0.9
113.02334	9.5
115.00188	0.6
116.92722	0.8
119.03355	2.1
157.01358	1.7
161.04462	0.7
171.10199	0.6
191.05511	2.2
209.11804	0.6
299.01837	0.7
314.04449	0.9
409.34576	1.6
426.43939	0.6
453.33771	2.1
465.83502	0.6
479.37570	0.7
523.37787	1.7
569.02911	0.6
613.37640	1.4
648.80420	0.6
734.48352	0.6
749.45142	1.0
793.43768	100.0
794.44135	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	1.3
58.10238	1.3
59.01250	10.5
61.98704	68.5
67.01775	1.8
69.03340	2.4
71.01263	8.6
71.20537	2.7
73.02792	1.3
78.91767	1.7
78.95760	3.0
80.91547	1.1
83.04878	1.3
84.10890	1.0
85.02836	2.3
89.02336	5.5
93.03324	1.8
96.95905	4.5
97.02821	3.1
97.06482	4.1
101.02327	7.2
111.08030	10.2
113.02302	2.8
123.08001	1.4
143.07018	4.3
151.11192	2.3
152.99464	1.8
161.04443	3.9
165.12796	1.8
167.10716	16.1
169.12260	3.0
171.10207	6.2
181.12299	2.8
183.10173	14.2
183.13687	1.6
193.12418	1.3
195.10213	3.4
195.13832	4.7
197.11771	38.4
198.12167	1.3
199.13345	2.2
199.38885	1.1
203.18022	1.4
206.85426	1.1
207.13680	1.7
211.13341	7.6
223.13394	2.4
227.12856	1.4
235.08209	3.2
245.15419	1.7
247.16945	6.6
247.20674	1.3
249.18686	2.2
253.09250	36.4
254.09505	2.3
263.16489	12.4
263.20343	2.1
264.16693	1.8
265.18066	100.0
266.18393	8.8
275.20108	3.5
277.21689	1.8
281.17468	2.7
289.18085	1.9
291.19653	26.6
292.19980	3.3
293.21234	36.2
294.21555	3.7
299.29895	1.2
309.20700	87.5
310.21194	7.5
545.29730	2.6
557.38538	3.5
632.44843	1.3
637.30188	1.2
709.37695	1.6
793.46741	2.2
796.55200	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.0
58.00494	0.6
59.01255	9.5
61.98705	61.7
63.99109	0.8
65.26715	0.5
65.94643	0.5
69.03338	2.0
69.54973	0.5
70.04746	2.6
71.01258	6.4
73.02824	1.6
74.32316	0.4
78.95786	3.4
83.01261	1.0
83.04896	1.3
84.87041	0.5
85.02836	1.3
87.00749	0.7
87.27130	0.5
89.02319	5.0
95.01303	0.7
95.04902	0.6
96.95896	1.3
96.96859	0.5
97.02828	0.9
97.06489	1.1
101.02316	5.9
109.06474	0.8
111.08045	13.2
113.02324	3.3
119.03410	1.6
121.10153	0.5
123.08059	0.7
127.07570	0.6
132.74242	0.5
135.08075	0.6
141.09175	0.5
143.07043	0.9
149.04498	0.6
149.09628	1.2
149.13322	0.6
151.11189	2.0
152.99481	1.2
153.12788	1.2
155.10756	0.8
161.04478	2.8
165.17979	0.5
167.10696	17.2
168.11118	0.7
169.08606	0.5
169.12288	4.4
171.10208	3.0
177.09134	1.2
179.05551	1.4
181.12267	2.6
183.10100	0.6
183.13840	0.8
195.10237	4.4
195.13882	1.4
197.11775	60.0
197.92586	0.5
198.12093	3.0
199.13289	3.5
203.18016	1.9
209.11801	0.9
211.13353	8.4
223.13371	1.6
227.12906	1.1
228.10066	0.8
235.08234	2.8
242.03708	0.5
247.17015	6.7
247.20773	0.7
249.14867	0.6
249.18579	2.0
253.09277	29.5
254.09615	1.7
263.16571	2.2
263.20132	2.4
265.18088	100.0
266.18423	8.0
273.18716	1.5
275.20212	1.9
277.21625	2.5
281.17480	4.9
289.17987	1.1
291.19672	21.9
291.97897	0.6
292.20096	2.3
293.21259	13.6
294.21521	1.0
309.20709	72.6
310.21097	7.0
433.20856	1.2
501.27158	0.8
502.04654	0.6
545.29736	3.0
557.38611	3.3
652.85138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.9
58.00466	4.3
59.01246	14.9
61.98701	23.7
63.55198	1.6
63.81748	1.7
66.32983	1.7
67.01781	2.0
68.99691	1.9
69.03326	3.6
70.02765	8.7
70.62796	1.6
71.01244	10.8
72.99170	4.5
73.02807	7.4
75.00740	36.0
78.95746	3.4
85.02817	27.5
87.00744	3.2
88.98686	2.6
89.02343	1.9
93.03336	3.1
93.93451	1.7
95.01254	8.8
96.95870	5.0
96.96809	2.4
97.02809	5.2
99.00726	4.0
111.00758	3.6
112.01539	3.4
113.02332	20.5
114.03101	3.6
115.00275	1.7
116.92748	12.2
117.01822	24.0
121.99194	1.7
127.03849	1.7
129.01785	2.5
129.70088	1.8
137.02333	2.6
139.00238	3.2
152.99382	1.6
156.59367	2.1
161.00804	19.6
176.89702	1.9
191.05573	5.8
209.11688	2.2
288.15436	2.0
453.33469	7.3
455.35376	12.9
456.35425	2.4
497.36703	2.2
534.39191	1.7
631.38422	59.0
632.38947	10.8
673.39496	100.0
674.39868	21.9
793.40057	74.0
794.40259	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4379
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03316	1.4
58.00466	1.6
59.01250	23.2
60.85322	0.2
61.98701	4.8
66.25887	0.2
67.01760	0.4
68.99698	1.6
69.03316	0.4
70.09738	0.5
70.10130	0.4
71.01252	23.9
72.01585	0.2
72.99189	2.1
73.02818	1.9
74.24841	0.2
75.00746	10.4
78.95786	0.4
83.01264	2.7
84.02058	0.2
85.02823	9.2
85.99953	0.2
87.00758	2.6
89.02316	10.2
95.01264	4.4
97.02836	0.3
98.20495	0.3
99.00755	13.9
100.01134	0.4
101.02322	10.1
111.00738	0.4
112.01535	0.6
113.02323	8.4
114.02706	0.2
115.00258	0.5
119.03409	1.7
125.02330	0.3
131.03403	0.4
139.00246	0.6
143.03415	0.2
157.01311	1.3
161.04460	0.5
238.22957	0.2
271.48166	0.2
340.46436	0.2
437.34198	0.5
453.33673	4.6
454.33994	0.7
455.35291	4.2
456.35556	0.9
481.36911	0.4
497.36157	1.0
523.37842	2.0
524.38275	0.5
537.35742	1.9
538.35693	0.3
551.37549	0.6
567.37036	0.4
569.38477	3.1
570.38824	0.9
587.39587	1.2
588.39038	0.3
595.36353	0.5
613.37396	5.4
614.37695	1.1
731.43976	0.8
793.43750	100.0
794.44153	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4376
Annotation	A 77003
Peak:m/z	Relative Intensity
56.32258	0.7
57.03318	1.9
58.00451	1.0
59.01253	17.7
61.98705	19.9
67.01758	1.0
68.99689	1.3
69.03315	0.9
71.01254	13.6
72.99189	4.2
73.02814	1.3
75.00735	3.4
76.64644	0.6
78.95785	1.5
83.01238	4.9
85.02829	11.6
87.00731	1.3
89.02314	8.0
95.01251	4.9
96.95877	2.8
96.96824	0.9
97.02847	1.0
99.00762	5.6
101.02316	7.0
111.00750	6.5
113.02340	10.2
119.03400	3.0
139.00250	3.0
157.01260	1.2
157.69308	0.7
191.05547	2.6
209.11794	2.3
289.17950	0.7
293.21289	1.0
388.73856	0.7
453.33835	2.0
455.35223	5.5
456.36435	0.9
483.34595	2.3
537.35760	1.1
551.37677	4.3
552.37781	0.9
569.38440	2.1
793.43774	100.0
794.44061	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96255	0.1
59.01243	0.3
61.98700	100.0
62.98420	0.2
69.23164	0.8
69.23591	0.4
71.01257	0.2
78.95787	0.4
89.02332	0.1
96.95942	0.2
96.96886	0.1
133.35326	0.1
152.99501	0.3
171.10179	0.2
181.08624	0.1
209.11832	0.3
215.74416	0.1
249.18564	0.2
253.09378	0.3
265.18182	0.3
277.21738	0.4
278.22241	0.2
289.18130	0.3
291.19769	0.2
293.21338	0.4
305.17685	0.2
307.19257	0.4
479.24332	0.2
757.86328	0.1
790.45874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.0224
Annotation	Unknow
Peak:m/z	Relative Intensity
102.22198	1.3
107.01272	1.1
114.90587	1.1
118.95679	1.2
135.58180	1.2
163.00342	1.5
227.03462	1.6
229.16942	1.2
243.02988	4.9
244.03772	2.2
254.02219	2.0
254.96336	1.1
255.02969	10.7
271.02463	21.9
271.05154	2.0
272.03107	3.7
287.05402	1.8
300.02725	29.9
301.03162	3.2
315.05090	66.7
316.05457	4.8
339.53973	1.2
395.00763	100.0
396.01202	11.7
406.84717	1.5
472.66022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84322	2.5
61.98694	2.9
75.41235	2.4
78.95769	54.2
96.96867	3.1
98.19698	4.7
98.90601	2.4
102.42367	3.0
135.33647	2.3
152.99481	60.8
171.00455	6.6
171.10188	27.6
172.65852	2.8
183.13927	3.3
211.13290	11.6
227.03143	5.6
229.14412	8.6
243.69077	2.9
253.21634	14.0
255.23239	3.2
265.82925	2.7
291.19543	4.5
327.21762	34.7
328.21994	3.6
463.20917	5.3
537.25031	5.0
555.25769	63.3
556.25830	8.3
602.83270	3.0
791.47046	100.0
792.47070	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96528	0.1
59.01255	0.6
61.98705	1.8
62.98373	0.1
70.69025	0.3
71.01245	0.3
73.02818	8.0
74.02366	0.3
74.42286	0.1
75.00742	1.1
80.98531	0.1
89.02335	0.2
99.00757	1.5
99.92457	10.3
100.92494	0.6
109.25037	0.1
114.92522	0.1
114.93278	0.4
115.00252	0.1
116.03409	0.5
116.92743	100.0
116.97095	1.1
117.01817	15.3
117.05466	0.4
117.92751	5.6
118.02142	0.2
175.60529	0.1
191.05540	0.2
210.84317	0.1
212.62090	0.1
220.57271	0.1
225.47952	0.1
236.32643	0.1
277.21783	0.3
397.13577	0.3
610.81580	0.1
673.40100	0.2
793.42657	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.8
61.98703	24.7
69.03342	0.2
73.02814	3.6
75.00748	0.4
77.95341	0.2
78.95802	0.2
89.02287	0.2
94.40761	0.2
98.19818	0.3
99.00742	0.8
99.92459	9.9
100.92484	0.2
101.02375	0.2
114.93296	0.7
116.92744	100.0
116.97118	3.0
117.01820	6.8
117.05448	0.2
117.92744	4.5
127.46792	0.2
191.05513	0.5
207.10300	0.2
216.65146	0.2
291.19583	0.3
309.20877	0.2
335.17545	0.3
413.46274	0.2
415.14450	0.2
431.64478	0.2
619.65234	0.2
625.72900	0.2
793.38641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.4
58.00464	0.6
59.01251	17.2
67.01754	0.5
68.87589	0.5
68.99677	1.7
69.03304	0.6
71.01254	21.1
71.53719	0.9
72.99175	1.7
73.02805	1.8
75.00741	5.5
83.01250	2.1
85.02821	9.6
85.99985	0.5
87.00742	1.2
89.02317	6.9
95.01258	4.0
96.36064	0.4
96.95889	4.4
96.96835	0.8
97.02780	0.8
99.00757	16.8
101.02316	7.4
106.38957	0.5
111.00701	0.6
112.01582	0.6
113.02323	7.5
119.03376	1.8
134.11008	0.5
135.04413	0.6
142.63980	0.5
157.01334	0.9
159.02943	0.5
169.62547	0.5
191.05582	1.5
350.49307	0.5
437.30392	0.6
453.30130	3.2
454.30698	0.5
455.31662	4.6
456.32425	0.5
497.32593	1.1
503.97586	0.6
523.34088	1.7
537.32013	2.3
556.60815	0.5
569.34711	4.3
570.35193	0.8
587.35699	1.5
613.33612	5.6
614.34070	1.2
731.39642	1.0
793.40167	100.0
794.40509	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
66.19683	0.2
67.59300	0.2
71.53212	0.2
78.95786	0.5
80.93259	0.2
80.96404	0.7
82.95979	0.3
85.02843	0.2
88.00259	0.3
88.98701	0.5
91.93202	0.2
101.45354	0.2
117.44807	0.2
171.10196	0.3
277.21561	0.5
278.22113	0.3
289.18073	0.3
295.22867	0.5
305.06949	0.2
516.20099	0.3
713.59460	0.2
786.50616	0.3
787.41290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
62.92414	0.2
62.98393	0.3
71.45014	0.4
78.95781	0.6
80.96393	0.7
82.95981	0.4
88.98689	1.0
89.02338	0.4
148.78787	0.2
149.23592	0.2
216.30997	0.2
277.21835	0.4
278.22250	0.4
289.18179	0.4
336.20187	0.2
406.29590	0.3
786.51135	0.5
787.40411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74983	1.1
57.57367	1.0
59.01245	5.1
59.54166	1.1
59.68774	1.2
61.98704	13.8
71.01241	4.1
78.95768	4.1
83.04878	4.2
89.02317	1.9
92.75063	1.0
103.00176	1.2
116.92705	2.6
119.03288	1.1
123.32319	1.1
142.30090	1.1
152.99466	2.3
153.74869	1.0
163.11183	3.1
165.12767	1.7
172.00032	3.8
191.05519	1.8
191.10744	1.8
209.11763	100.0
210.12134	5.7
225.11296	1.2
227.12816	13.9
228.13109	1.4
235.08258	1.7
249.18575	46.5
250.18864	5.2
253.09233	6.2
253.96230	1.1
270.74390	1.0
310.67664	1.4
445.20615	2.7
684.08344	1.5
686.27222	1.3
787.42279	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29726	0.1
59.01231	0.2
61.95091	0.1
61.98704	100.0
62.98420	0.2
69.48151	0.9
71.61229	0.1
78.95782	0.8
103.76022	0.1
111.08054	0.2
118.44990	0.1
152.99525	0.4
171.10211	0.2
253.09311	0.2
263.16571	0.6
277.21875	0.1
284.12030	0.1
291.19882	0.2
309.20853	0.4
311.22366	0.1
719.41040	0.1
770.18207	0.1
791.47766	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	16.7
61.98695	18.3
69.03316	3.2
71.01245	5.3
71.19686	2.2
71.20015	2.2
78.95792	1.7
81.03307	1.5
83.04926	2.0
85.02813	2.8
89.02320	3.1
97.02812	2.9
97.06470	2.6
101.02319	3.9
103.90311	1.8
109.06494	1.7
111.07988	2.8
113.02310	1.8
116.92745	2.5
120.06606	1.8
153.09207	1.7
155.85367	1.7
167.10648	4.0
169.08604	6.6
177.09148	1.5
179.14334	3.7
191.05560	4.0
195.10178	5.7
195.13771	7.5
197.11726	6.3
205.12247	7.6
209.11815	2.3
213.11172	2.3
213.76277	1.5
223.13359	100.0
224.13678	5.6
235.08165	4.8
253.09267	16.9
263.16507	6.8
265.18057	3.0
281.17612	26.5
282.18015	1.8
309.20688	5.2
310.21045	1.6
354.55963	1.5
459.22311	16.6
460.22867	2.8
645.26123	1.6
723.38409	3.0
738.06171	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25209	0.3
59.01248	2.0
59.31981	0.3
59.77379	0.2
61.98700	13.8
66.00953	0.3
69.03300	0.3
71.01270	0.5
72.99202	0.3
75.00751	1.1
77.03867	0.3
85.02857	0.3
91.01801	0.9
93.03331	0.3
96.95926	0.3
98.20559	0.8
108.90089	1.5
121.02848	100.0
122.03190	3.4
129.14471	0.3
136.01620	0.5
153.64368	0.3
165.01825	2.6
169.08658	0.3
175.97057	0.3
180.05736	0.6
181.06491	1.8
182.67827	0.3
191.03415	2.2
191.05495	0.9
197.11690	0.8
201.11244	0.4
209.04497	60.3
209.11786	1.0
210.04860	3.7
223.13283	1.0
224.13672	0.4
225.05481	2.4
235.08139	0.3
249.18658	0.7
253.09349	0.6
277.21811	0.3
297.75998	0.3
313.07135	4.3
314.07623	0.3
357.06094	1.4
401.08752	10.0
402.08862	0.8
489.02634	0.3
549.09723	0.6
575.12018	0.4
785.16956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.4
58.39271	0.4
59.01250	7.8
61.98695	1.7
67.61875	0.4
69.03329	0.7
69.42815	0.4
70.74112	1.2
71.01257	6.6
73.02813	1.1
78.95781	0.7
80.96395	0.4
82.73315	0.4
83.01235	0.7
83.04894	1.2
85.02814	1.6
87.00748	0.8
89.02335	3.2
95.01271	0.5
97.02817	0.5
97.06483	0.9
101.02320	4.1
109.06457	0.4
109.47671	0.4
111.08039	7.6
113.02345	2.8
119.03390	1.2
119.96565	0.4
125.09619	0.6
137.09601	0.5
143.03435	0.8
151.11177	0.5
153.12746	0.8
161.04471	2.1
167.10738	0.5
169.12254	3.5
171.10170	4.0
179.05501	0.5
181.12309	0.8
183.13849	0.5
185.11749	1.1
193.12306	0.5
195.13858	0.6
197.11769	41.2
198.12086	2.3
199.13341	2.5
205.19489	0.6
207.13783	0.7
209.15462	4.8
211.13362	5.5
212.13675	0.6
213.11208	0.4
221.15457	0.8
223.16985	1.6
225.14929	2.2
227.12845	0.9
229.19536	0.7
231.17531	0.5
233.15454	1.4
235.08212	3.3
247.20616	0.4
249.18575	100.0
250.18935	8.4
251.16496	4.0
252.16850	0.6
253.09270	19.0
254.09541	1.0
263.16409	0.8
263.20306	1.8
265.18085	1.1
267.15857	0.4
273.18735	2.6
277.21783	2.9
281.17557	0.6
291.19672	27.6
292.19958	2.5
309.20715	52.6
310.21042	4.8
384.86954	0.4
420.73474	0.4
433.20712	0.6
527.28473	0.6
545.29291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95269	0.2
57.03337	0.5
59.01252	5.5
61.98700	1.6
69.03324	1.1
69.81879	1.2
71.01250	3.4
73.02837	0.7
73.46045	0.2
76.21424	0.2
78.95768	0.6
83.01285	0.5
83.04897	0.3
85.02859	0.8
87.00774	0.9
89.02311	3.1
95.01286	0.4
97.06507	0.4
101.02320	3.6
111.08039	0.6
113.02319	1.8
113.09604	0.2
119.03406	0.7
123.08061	0.3
125.02316	0.3
125.09659	0.2
128.75851	0.2
140.18587	0.2
143.03384	0.3
147.71794	0.2
149.04341	0.3
149.09616	1.0
151.11188	0.8
161.04465	2.4
167.10690	12.1
168.11067	0.5
169.12190	0.2
171.10211	0.5
177.09116	0.7
177.12735	0.3
179.05553	0.5
179.10709	0.3
179.14337	1.0
183.13788	0.3
195.10191	2.9
195.13838	8.4
196.14423	0.9
203.17979	1.4
205.12247	0.6
205.15973	0.4
211.13348	0.9
223.13342	6.0
223.87021	0.2
224.13918	0.4
228.09973	0.2
228.13669	0.5
229.15974	0.2
229.31654	0.2
231.21158	0.6
234.20166	0.2
235.08211	1.4
237.18657	0.3
247.17014	4.6
248.17435	0.5
253.09258	26.3
254.09447	1.1
256.13150	0.8
258.63916	0.2
265.18076	79.5
266.18423	6.7
268.03018	0.2
275.20163	6.6
276.20483	0.8
293.21219	100.0
294.21552	9.5
309.20700	0.4
464.18759	0.4
501.26843	0.6
529.30042	1.4
530.31140	0.3
541.38922	1.7
542.39392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.2
59.00959	0.9
59.01251	23.9
61.98704	30.8
67.01762	1.1
69.03316	1.2
70.50426	0.8
71.01261	7.9
72.99191	4.0
73.02814	2.4
75.00742	5.2
78.95757	3.4
79.93066	0.7
81.70466	0.8
83.01257	2.8
85.02827	10.4
87.00723	1.5
89.02317	1.7
95.01268	4.6
96.95902	1.3
97.02824	2.3
97.98924	0.8
99.00757	6.1
101.02324	2.2
111.00762	7.2
112.01560	0.9
113.02341	7.5
124.05525	0.9
126.71535	0.9
129.01694	0.8
139.00204	2.3
156.34790	0.9
157.01268	1.3
171.10136	1.3
191.05495	1.9
207.10146	1.5
249.18570	27.3
250.18811	2.4
253.09177	1.6
256.85703	0.9
291.19589	2.0
329.23270	0.9
453.08832	0.8
453.33820	2.5
455.29352	0.7
455.35254	5.4
483.34982	2.6
484.35046	0.9
502.80765	0.9
523.37927	0.8
537.35669	0.9
551.37457	3.4
569.38647	1.0
777.44336	100.0
778.32037	0.9
778.44678	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03300	0.6
57.03344	1.3
57.18413	0.7
59.01252	6.2
61.98700	15.2
71.01249	5.8
71.04900	0.8
71.17241	1.7
75.85132	0.7
78.95774	13.0
79.33206	0.8
83.04932	1.1
85.02853	1.0
87.00758	1.0
89.02324	2.1
95.04901	1.5
96.95897	0.9
96.96832	1.4
101.02320	3.8
110.57380	0.8
111.08039	9.9
113.02322	2.2
113.09603	0.8
121.06522	0.9
137.09682	1.2
145.04987	0.7
149.09624	1.6
151.11072	0.9
152.99495	7.2
161.04495	1.6
167.10698	10.8
168.11160	0.8
171.10155	1.9
177.12755	2.3
179.10716	1.9
182.58621	0.7
193.12315	0.9
195.10196	2.0
195.13866	9.0
223.13388	1.2
225.15018	0.8
235.08162	2.9
242.84692	0.8
247.16994	3.3
247.20782	1.7
249.18605	1.1
253.09248	12.0
263.16492	8.0
264.16855	1.1
265.18063	46.4
266.18533	3.6
273.18427	1.3
275.20483	0.7
277.21744	2.9
291.19656	100.0
292.19977	8.1
293.21237	15.0
294.21594	1.4
295.22849	3.8
343.24908	2.0
431.21915	2.0
472.91296	0.8
479.23944	1.5
501.27316	0.9
527.28632	9.2
528.28851	1.0
529.29523	0.9
775.47437	7.8
776.46960	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.2
61.98689	0.3
69.03339	0.1
71.01242	0.3
78.95776	11.4
79.95609	2.7
83.02374	0.4
83.04933	0.2
85.02840	0.1
89.02315	0.1
96.95894	100.0
96.96807	15.8
97.02843	0.1
97.03954	0.1
97.95819	0.4
98.02354	1.8
98.03471	0.3
98.19852	0.3
99.00780	0.2
99.01920	0.1
113.02321	0.1
120.16790	0.1
127.82793	0.1
191.05522	0.3
303.78256	0.1
317.17480	0.1
376.05225	0.1
377.04358	0.1
406.28540	0.1
432.87619	0.1
451.32788	0.2
559.39545	0.1
580.08917	0.1
675.48132	0.1
677.49976	0.2
715.48657	0.1
716.50659	0.7
730.44019	0.1
775.39447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28391	0.2
61.98701	100.0
63.79148	0.2
63.99119	0.4
71.01263	0.2
78.95781	0.6
79.19356	0.2
98.20602	0.3
115.50152	0.2
152.99553	0.3
249.18681	0.4
289.18228	0.3
293.21185	0.3
407.42529	0.2
447.00577	0.2
618.39886	0.2
644.87616	0.2
776.45184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.2
57.03320	1.4
58.00459	0.7
59.01251	16.1
61.98696	1.9
67.01771	0.4
68.99689	1.2
69.03328	0.5
70.09839	0.5
70.10239	0.4
70.49572	0.2
71.01252	18.5
72.01558	0.3
72.99190	1.3
73.02818	1.7
75.00750	7.8
76.01013	0.2
77.04730	0.2
77.25460	0.2
83.01252	2.3
85.02823	8.7
85.99950	0.3
87.00736	1.0
89.02320	5.5
95.01262	3.7
97.02830	0.5
97.50809	0.2
99.00755	12.3
100.01125	0.3
101.02322	6.4
110.26971	0.2
111.00758	0.3
112.01543	0.6
113.02333	6.9
114.02656	0.2
115.00245	0.4
119.03402	1.5
139.00259	0.3
157.01337	1.1
264.04855	0.2
358.58124	0.2
405.02631	0.2
421.31320	0.4
437.30588	4.0
438.30890	0.5
439.32132	3.6
440.32184	0.6
465.32980	0.3
481.33206	0.9
507.34894	1.8
508.35175	0.3
521.32788	1.4
522.32678	0.3
535.34583	0.4
551.33618	0.5
553.35333	4.5
554.35822	0.8
571.36401	0.9
572.36310	0.3
579.33130	0.3
597.34308	3.8
598.34924	0.7
607.36456	0.2
715.41333	0.6
777.40619	100.0
778.40955	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.6
61.98704	35.1
62.98425	0.2
71.01260	0.5
71.52790	0.2
71.53164	0.2
78.95778	20.7
79.95607	2.7
87.00728	0.3
94.97986	0.3
96.95910	100.0
96.96857	27.6
97.95818	0.4
98.02359	1.0
101.02332	0.4
108.44704	0.2
122.60914	0.2
131.22955	0.2
171.10213	0.4
197.11913	0.4
209.11780	0.3
225.11221	0.2
265.18170	0.2
277.21753	0.7
361.04410	0.3
385.97382	0.3
397.13562	0.5
407.17670	0.2
435.08603	0.4
453.09381	1.1
557.64063	0.2
713.31567	0.8
773.43097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.9
61.98700	18.2
69.75581	0.2
71.01248	0.5
71.20187	0.6
78.95776	17.7
79.95611	2.9
81.41858	0.3
93.44495	0.2
94.97961	0.2
96.95889	100.0
96.96812	23.0
97.95831	0.5
116.25056	0.2
117.04459	0.2
118.96503	0.3
149.15961	0.2
152.99484	0.6
168.95735	0.3
171.10184	0.3
197.11835	0.6
209.11664	0.3
248.63716	0.3
253.09293	0.4
265.18091	0.3
277.21762	0.8
297.82791	0.2
322.60754	0.3
397.13602	0.6
407.17642	0.3
435.08426	0.6
453.09442	0.8
713.30774	0.9
714.31238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.3
60.57941	0.1
61.98701	100.0
62.98381	0.2
78.95789	0.6
99.92471	0.3
116.92744	1.6
117.92760	1.0
118.92543	0.8
119.03416	0.4
119.94595	0.3
121.02884	0.3
209.11688	0.2
223.73720	0.2
235.37206	0.1
277.21530	0.2
337.76465	0.2
456.89163	0.2
492.74182	0.2
775.44403	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56889	0.2
61.98701	100.0
71.01236	0.2
78.95770	1.1
109.06517	0.2
152.99573	0.5
219.06404	0.3
249.18547	0.3
259.87790	0.2
277.21844	0.6
278.97336	0.2
365.29648	0.2
600.81598	0.2
764.04303	0.2
774.46362	0.4
775.35992	0.3
775.48541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68530	0.1
59.01252	0.4
61.98704	100.0
62.98396	0.2
65.32697	0.1
71.01249	0.5
78.95791	0.3
85.43758	0.1
86.99784	0.1
98.20541	0.4
124.74567	0.1
152.99495	0.1
171.10168	0.3
177.47432	0.1
207.10352	0.1
209.11919	0.2
225.11211	0.1
293.21301	0.2
354.83224	0.1
451.44370	0.2
561.02496	0.1
611.91162	0.2
774.43066	0.2
775.43048	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.6
60.42585	0.1
60.71419	0.1
61.98703	100.0
62.63027	0.1
62.98404	0.2
67.78260	0.1
71.01273	0.4
71.04873	0.2
71.27707	0.2
71.53017	0.2
74.45045	0.1
75.00741	0.2
76.84171	0.1
78.95789	0.3
83.04900	0.1
83.94962	0.1
96.95869	0.2
116.92794	0.2
126.32875	0.1
146.04565	0.1
191.05580	0.3
193.37724	0.1
197.11757	0.3
209.11775	0.2
258.51321	0.1
658.28571	0.3
774.42993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89230	0.5
59.01250	100.0
61.98697	3.8
69.03306	0.8
71.01257	0.9
85.33955	0.5
93.03377	0.8
96.95911	1.2
131.29564	0.5
136.82030	0.5
163.07581	0.6
171.10225	1.1
196.16739	0.5
197.11850	1.1
207.10117	0.6
209.11801	2.6
220.67264	0.5
230.08702	0.6
253.09247	1.3
291.19775	0.7
294.55423	0.6
307.19293	0.6
309.20850	0.6
349.37259	0.6
495.21799	0.5
498.39441	0.6
769.40247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.8
61.98703	100.0
62.98395	0.2
68.75984	0.2
69.16627	0.1
71.01245	0.2
72.99201	0.2
75.29989	0.2
78.95748	0.2
86.90907	0.1
88.98708	0.2
92.92676	0.3
101.06207	0.2
162.48500	0.2
171.10280	0.3
211.13493	0.2
253.09438	0.2
255.23264	0.6
256.23694	0.2
268.78119	0.2
277.21735	0.9
293.21210	0.3
294.21820	0.2
305.33319	0.2
324.85284	0.2
595.35004	0.2
606.75525	0.2
631.34552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.8
67.01771	1.8
69.03320	1.5
69.23083	1.6
69.23500	5.0
71.01251	3.7
73.02805	0.8
83.04927	0.6
85.02823	10.4
87.00746	4.6
91.69759	0.6
93.03333	12.2
96.95891	2.8
98.19722	1.3
101.02324	1.0
105.03358	0.8
108.02037	2.5
109.02849	4.3
111.00756	0.7
111.04394	2.4
116.92761	0.8
121.02820	1.6
124.01554	3.9
125.02319	1.8
126.03152	0.8
127.03901	2.2
129.01868	0.9
133.02838	5.7
134.03636	3.9
135.04416	67.4
136.04720	3.1
137.02345	2.6
150.03114	2.2
151.03912	7.7
154.60941	0.7
155.03397	0.9
159.04362	0.7
160.01601	1.2
161.02371	2.6
173.04503	3.4
174.03081	0.8
177.01846	2.0
178.02608	1.2
179.03413	13.5
180.03668	0.8
183.04520	1.0
187.03973	1.1
191.05536	100.0
192.05844	4.2
197.46928	0.6
215.05563	1.1
224.22069	0.6
228.04433	0.6
232.34445	0.6
255.10141	1.2
271.13611	0.8
281.11771	3.2
294.40829	0.7
297.11182	1.5
299.12872	3.2
299.15918	0.7
307.08252	1.2
308.08972	6.2
315.04974	0.7
315.12323	0.8
325.10825	3.8
343.11859	1.8
351.07178	4.4
352.07874	5.6
402.52774	0.9
535.21173	1.2
553.22894	1.8
561.19843	1.5
579.20801	51.7
580.21014	7.9
597.22449	3.2
727.27502	0.7
753.26465	1.9
771.27289	22.1
772.27197	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.1
61.98701	1.7
65.14602	0.2
70.03740	0.4
70.04135	0.3
73.02821	4.3
75.00750	1.1
78.95794	0.2
87.55948	0.2
98.20474	0.2
99.00751	0.8
99.92459	9.0
100.92471	0.6
100.93229	0.1
107.58478	0.1
114.38280	0.2
114.93344	0.4
116.03472	0.2
116.92745	100.0
116.97122	1.4
117.01820	8.1
117.92759	5.1
144.15543	0.2
171.10147	0.2
174.70944	0.2
179.07224	0.2
253.09370	0.2
277.21783	0.7
397.13498	0.2
480.69250	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	16.0
61.98705	2.9
63.23036	0.6
67.85728	0.6
71.01261	3.5
78.95778	0.8
81.24785	0.5
89.02335	1.1
91.85583	0.6
97.51170	0.5
98.19738	1.0
101.02321	2.0
113.02334	0.8
161.04535	1.3
167.14319	0.6
183.10274	0.9
183.13846	5.5
193.12285	1.3
207.10283	0.6
211.13342	100.0
212.13675	5.5
235.08040	1.2
249.18584	47.4
250.18880	3.4
253.09258	6.0
277.21741	3.4
311.22287	0.9
423.76324	0.6
429.21161	1.7
447.22345	9.4
550.05280	0.6
550.28638	0.7
771.42810	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2191
Annotation	CHEBI:65996
Peak:m/z	Relative Intensity
57.30547	0.7
59.01240	1.3
61.98687	2.7
69.03315	2.1
71.01254	2.7
71.53586	1.3
71.54000	1.0
87.00773	1.1
88.98679	2.7
93.03320	0.9
96.95901	4.9
109.02815	1.1
113.02363	1.0
126.98052	0.8
132.02060	10.9
133.02899	4.1
134.03639	5.7
135.04401	2.4
147.04433	1.5
149.06001	1.0
160.01559	31.2
161.02356	5.1
167.03355	0.8
172.35902	0.8
175.03914	17.1
177.01849	1.4
179.03412	2.0
185.00845	1.4
191.05531	3.4
193.04970	1.7
203.01865	1.4
209.11751	1.6
219.06487	1.3
253.04942	1.1
255.02943	1.4
262.56445	0.9
264.04456	1.0
268.03772	3.5
269.04578	1.9
280.03857	1.6
281.04529	11.4
282.05344	21.2
283.02441	1.1
283.05820	2.3
284.03348	2.0
293.04425	1.3
295.06030	3.2
296.03265	5.5
297.03925	4.3
298.04782	2.8
299.05399	2.1
308.03238	8.3
309.04037	21.7
310.04813	94.7
311.05301	11.3
312.06287	2.5
322.04950	1.6
323.05621	7.5
324.06342	6.6
325.07162	100.0
326.07486	9.4
330.09680	1.0
338.04327	1.1
338.07990	1.6
339.08780	6.2
340.05707	1.8
350.07971	1.2
350.55963	0.9
352.05865	12.1
353.06314	2.4
355.08130	3.1
362.54242	1.0
366.07416	1.2
367.08295	15.4
368.08664	2.3
370.06696	1.4
378.07388	4.6
381.09680	2.4
385.09174	1.5
393.09738	2.0
396.08493	12.1
397.08737	2.0
411.10843	19.2
412.10880	1.6
415.09915	1.0
428.11124	2.5
429.11832	32.0
430.12299	3.1
441.39590	1.0
443.13348	6.3
519.31555	3.0
663.17200	48.2
664.17566	8.0
705.17957	1.2
749.20697	2.6
767.21838	78.3
768.22150	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.9
60.99174	17.0
61.98695	1.7
68.45106	0.3
71.01247	1.1
87.00764	1.8
88.00281	3.5
88.98676	100.0
89.02316	11.3
89.99026	0.9
101.02332	0.4
140.58138	0.4
160.92673	0.4
171.10156	1.1
181.12213	0.4
199.09717	0.4
201.11285	0.7
207.10182	0.7
209.11757	0.6
223.13341	0.5
225.11316	1.3
249.18607	2.0
250.18768	0.6
253.09254	0.4
258.16614	0.4
274.45276	0.4
279.23267	0.5
291.26178	0.4
397.13538	0.9
549.96716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.7
60.99176	16.1
61.22903	0.2
61.98702	0.2
69.03333	0.4
71.01250	0.3
71.08568	0.3
71.08878	0.4
72.99170	1.5
75.00738	0.4
76.46742	0.2
81.03345	0.4
83.04890	1.3
87.00751	2.4
88.00274	7.2
88.01105	0.3
88.98677	100.0
89.02314	11.4
89.99001	0.8
90.01824	0.6
93.03334	0.4
93.32189	0.2
96.95892	0.4
97.59737	0.2
99.17051	0.2
114.06828	0.2
134.03653	0.3
185.00961	0.3
191.05573	0.7
203.02075	0.3
205.69629	0.2
224.17543	0.2
225.16054	0.5
229.56549	0.2
285.04031	0.2
297.04214	0.3
309.04285	0.5
337.03583	0.6
411.07251	1.5
412.07440	0.3
451.32977	0.5
673.46716	0.7
675.48279	1.4
677.49823	2.0
678.49652	0.4
689.46155	0.5
691.47687	1.2
707.48218	1.4
767.51453	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.4
71.53438	3.1
79.12873	2.4
79.95605	11.0
90.78075	2.2
93.03351	2.2
96.95890	40.7
99.92454	2.1
116.92735	3.1
151.00246	6.1
152.01035	2.5
178.99760	8.9
186.56911	2.1
191.05479	5.8
203.01888	3.0
231.15982	8.7
241.00175	9.4
256.99850	2.1
290.56064	2.3
299.01859	2.9
302.41122	2.4
308.03149	2.9
323.05896	2.3
325.03378	3.7
335.01804	3.1
336.02722	3.3
337.03366	3.3
339.05063	10.2
365.03021	2.2
367.04584	5.6
377.02982	3.1
379.04404	5.0
381.02582	2.8
393.02017	2.6
395.03964	6.7
406.03140	2.4
407.03946	11.4
409.01587	2.8
411.07031	4.6
421.01889	6.6
422.06534	5.2
423.03250	3.4
424.03976	3.7
435.03580	18.4
436.04239	12.0
437.05042	3.2
438.05441	2.7
439.06720	10.7
449.04944	4.8
450.05960	15.6
451.06619	41.9
452.07703	2.9
454.08655	2.7
459.06982	3.2
466.05130	5.3
467.06195	20.7
468.06674	4.3
481.07788	52.0
482.08466	68.3
483.09253	12.8
491.09906	4.2
505.11490	13.0
507.12943	9.6
523.12146	10.3
561.03436	54.2
562.04285	17.7
563.04742	4.6
644.13873	100.0
645.14514	19.5
669.14105	2.5
685.17456	14.5
686.17065	5.3
724.09625	30.2
725.09589	7.3
765.13916	9.3
765.35193	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23908	0.2
59.01250	0.7
60.99175	17.1
61.98698	0.8
71.01247	1.0
71.52728	0.5
71.53104	0.3
87.00739	1.5
88.00275	4.1
88.98676	100.0
89.02313	11.3
89.99014	1.0
101.02345	0.4
106.79765	0.2
109.06458	0.4
157.82999	0.3
169.08600	0.3
171.10175	3.1
191.05571	0.4
201.11357	0.3
207.10176	0.6
225.11261	2.3
247.13202	0.5
249.18584	3.3
253.09204	0.5
262.38754	0.2
277.21753	0.8
325.36160	0.3
337.93317	0.3
397.13635	1.3
407.19440	0.3
415.14545	0.4
443.19199	0.4
461.20303	0.6
528.53900	0.3
667.37531	0.6
693.37952	0.4
765.40613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.8
60.99177	16.9
61.98697	1.7
71.01223	0.5
72.99194	0.3
73.01659	0.2
76.50262	0.2
87.00751	2.9
88.00275	4.4
88.01087	0.4
88.98676	100.0
89.02311	21.4
89.02911	0.3
89.99023	1.0
90.02664	0.3
101.02319	0.2
140.50546	0.2
148.87634	0.2
171.15746	0.2
223.38454	0.2
235.08191	0.3
277.21625	1.1
298.86691	0.2
397.13416	1.8
398.13834	0.3
415.14609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	15.4
61.98703	100.0
69.03332	4.5
70.03608	1.6
71.01250	12.7
72.99172	2.2
73.02795	1.3
73.24609	1.5
83.01245	2.0
85.02821	3.6
87.00743	2.3
88.98688	3.2
89.02310	8.3
93.03370	1.8
96.95882	4.6
97.02835	3.2
97.06457	2.0
101.02312	10.8
108.70985	1.2
109.02796	1.8
113.02325	4.0
119.03403	3.2
125.02322	2.4
125.09641	3.0
135.04407	2.4
137.31410	1.3
143.03427	2.4
161.04369	1.4
163.11171	2.7
165.12656	1.5
169.32484	1.5
179.05658	2.1
185.00847	1.4
185.11728	2.0
191.05486	8.6
191.14339	3.0
203.02132	1.6
207.10123	2.1
209.11777	11.4
230.74016	1.4
233.42831	1.5
235.08192	2.3
245.19093	5.6
289.18094	28.5
290.18500	1.6
307.19144	32.0
308.19574	3.3
397.13516	19.1
415.14581	12.7
497.87225	1.4
562.21143	1.8
705.33160	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.41
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07883	0.6
59.01251	0.8
63.96101	1.9
69.03332	0.9
69.82373	1.5
69.82800	2.4
71.01246	9.3
73.02826	1.5
78.98463	8.0
79.95601	14.6
80.96388	89.7
82.95940	0.7
85.79582	0.6
87.00753	2.7
94.97955	19.7
95.01262	0.7
96.95895	1.5
97.02818	1.7
98.19856	1.0
99.00690	0.9
101.02338	3.2
106.97974	3.8
111.52920	0.6
117.76337	0.6
122.97472	4.1
123.34612	0.7
125.02330	3.7
134.97493	5.8
136.99060	1.5
148.99026	6.5
152.98518	7.2
164.98532	14.9
167.00009	0.6
206.99603	2.9
209.11798	2.4
210.48459	0.6
225.00694	25.4
226.01122	0.8
251.86314	0.6
255.23209	1.8
283.04855	1.1
340.99963	0.8
509.17114	2.5
509.97104	0.7
537.27448	2.7
694.39001	0.7
765.40930	100.0
766.41235	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83906	0.1
59.01230	0.1
61.98702	100.0
62.05727	0.1
62.98408	0.1
71.27918	0.1
74.35779	0.1
78.95779	0.3
111.51268	0.1
137.41322	0.1
152.99506	0.2
209.11719	0.1
229.22546	0.1
249.18744	0.1
250.18877	0.1
289.18231	0.1
323.87766	0.1
511.41339	0.1
774.97290	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
64.27917	1.0
69.03320	1.1
71.01254	8.2
73.02776	1.7
78.95792	1.0
78.98473	6.1
79.95609	12.9
79.96051	1.6
80.96389	70.6
80.98814	0.8
81.03320	0.9
85.02820	2.6
87.00740	2.2
93.72052	0.9
94.97954	13.3
97.02790	1.1
101.02306	2.3
106.97959	2.9
112.69393	1.1
122.97453	2.5
125.02313	2.8
134.97495	4.3
148.99046	6.7
152.98532	5.0
164.98543	10.9
206.99573	2.1
223.13364	1.2
225.00696	18.6
227.45908	0.9
255.23184	1.5
284.23227	1.0
327.97958	1.0
505.17398	1.2
537.27289	1.8
602.78894	0.9
761.41431	100.0
762.41754	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65845	0.7
59.01249	0.8
60.61584	0.7
62.56630	0.7
63.96107	1.3
69.03322	1.4
70.85738	2.1
71.01253	7.2
73.02808	1.0
78.98460	4.7
79.95604	11.8
80.96393	76.6
85.02817	3.0
87.00745	2.8
89.41640	0.9
93.85487	0.7
94.97970	16.1
96.95917	1.5
97.02832	2.1
101.02303	3.1
106.97956	3.1
109.01478	0.7
111.21259	1.0
116.39089	0.9
122.97451	4.5
125.02338	3.4
134.97455	4.3
136.99017	1.4
148.99045	7.8
152.98543	6.2
164.98543	11.9
206.99661	3.5
225.00697	19.9
225.11226	1.5
255.23299	1.3
277.21570	0.9
288.95184	0.9
341.43118	0.8
507.15692	1.8
537.26654	1.6
649.23364	0.8
735.50323	0.8
763.39386	100.0
764.39709	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36577	10.9
59.01240	19.5
61.98705	100.0
70.56902	10.9
70.68531	27.6
78.95761	48.7
124.81595	11.6
150.15182	11.7
195.57198	11.7
209.11699	77.9
211.95679	11.5
227.12660	11.8
227.69289	11.5
249.18611	40.0
277.21582	66.8
278.21979	15.6
635.25018	41.8
636.26172	13.3
763.47449	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	9.7
61.98720	5.2
62.03415	4.3
69.03304	8.9
71.01225	5.3
71.53242	6.9
72.99190	8.7
75.42177	4.3
78.95771	6.7
79.95599	7.4
83.01256	5.5
85.02844	4.4
96.95893	47.6
101.02197	4.4
133.02837	5.4
151.00294	9.0
178.99872	7.1
191.05504	19.2
231.09933	4.6
241.00143	10.9
245.51715	5.0
284.03214	41.3
299.05634	48.7
300.02847	5.6
315.05124	10.7
339.05020	7.0
353.06601	6.6
363.01587	6.0
364.71793	4.8
367.04620	6.8
379.04376	5.7
392.01709	6.2
395.03925	9.5
407.04047	6.6
419.35571	4.4
421.02060	5.3
435.03497	17.3
436.04199	12.0
438.06088	5.1
439.07080	5.3
450.05948	13.0
451.06744	36.9
454.09253	6.0
459.06787	5.7
465.08200	6.7
467.06104	13.4
468.06265	5.0
481.07742	40.0
482.08414	69.2
483.08939	14.1
505.11301	17.3
507.13321	8.2
523.12225	18.8
561.03558	58.0
562.04303	18.3
563.03656	5.0
612.10065	6.8
617.15094	5.3
635.16016	6.8
644.13849	100.0
645.14069	17.7
685.17487	19.7
724.09558	28.2
765.12476	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23064	0.2
59.01250	1.3
61.98702	100.0
62.98384	0.2
71.01257	1.4
71.52843	0.2
78.95793	0.9
83.04900	0.4
96.96940	0.2
100.01052	0.2
101.02325	0.3
122.19555	0.2
135.08067	0.2
152.99467	0.3
169.12273	0.4
171.10217	0.8
181.08633	1.1
182.08968	0.3
197.08171	0.2
197.11780	0.8
199.09685	0.4
209.11801	0.7
227.12930	0.2
249.18675	0.4
251.20288	0.4
253.09288	0.9
277.21710	4.1
278.22073	1.6
279.22363	0.4
305.20587	0.2
306.32175	0.2
317.73264	0.2
347.15546	0.2
390.43637	0.2
451.65549	0.2
481.35571	0.2
539.95251	0.2
547.59564	0.2
757.43323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77363	0.8
59.01249	18.8
61.98701	59.7
71.01247	2.5
71.53086	0.8
78.95771	4.3
89.02311	1.8
101.02320	1.6
105.00371	0.8
113.02348	0.9
113.09724	0.7
116.92706	0.7
122.19082	0.7
152.99512	2.4
153.12711	1.2
169.12238	5.2
181.08658	2.0
182.08966	2.3
197.11774	100.0
198.12093	5.4
201.29562	0.7
209.11761	1.2
218.49898	0.8
235.08270	1.2
249.18567	44.6
250.18996	2.8
251.20143	1.7
253.09227	5.1
277.21707	5.7
278.22067	3.9
293.21094	0.8
318.97055	0.7
415.19919	1.3
433.20755	11.3
500.40286	0.8
528.77069	0.9
757.43402	2.0
758.43835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85982	0.1
59.01243	0.3
61.98702	100.0
62.82521	0.1
67.34347	0.1
71.01256	0.2
71.53647	0.2
78.95785	0.8
82.36679	0.1
88.49307	0.1
99.67222	0.1
132.56136	0.1
152.99513	0.5
171.10205	0.2
181.08640	0.3
197.11821	0.1
253.09351	0.1
277.21814	0.4
278.22165	0.3
279.22574	0.1
293.21219	0.1
356.75699	0.1
398.34784	0.1
425.09949	0.1
447.21454	0.2
453.48181	0.1
758.44031	0.1
759.44733	0.4
789.26251	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61400	0.2
57.03606	0.2
59.01249	1.0
61.98700	100.0
68.16800	0.2
71.01258	0.3
71.43655	0.2
71.53303	0.3
71.53675	0.2
75.00765	0.5
76.44155	0.2
78.95792	0.5
83.04905	0.2
89.41546	0.2
113.02354	0.3
116.92751	1.4
121.03391	0.2
152.99475	0.3
162.30710	0.2
163.11197	0.2
181.08655	0.2
181.90321	0.2
207.10252	0.4
209.11737	1.8
225.11331	0.6
226.11745	0.3
227.12860	0.3
249.18636	0.4
249.49582	0.2
251.20117	1.3
252.20454	0.3
253.09238	0.3
277.21674	1.1
278.22165	0.8
696.41772	0.3
757.43311	0.2
778.16919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.5133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.9
61.98702	10.5
69.92373	1.5
72.99180	2.7
75.00745	100.0
76.00297	0.5
76.01076	0.9
81.03329	1.4
83.04890	4.9
85.02798	0.4
93.03329	0.6
96.95881	0.9
98.02336	0.7
98.20496	0.4
106.74965	0.3
108.04440	0.5
114.09136	0.3
191.05510	2.1
223.14195	0.3
224.17685	0.8
225.15973	2.0
315.05084	0.5
333.23001	0.3
336.25638	0.3
342.47638	0.3
450.34769	0.5
451.32883	0.6
482.63632	0.3
534.01355	0.3
559.39850	0.6
577.40540	0.4
675.48193	2.0
676.48456	0.6
677.49689	5.6
678.49884	1.2
691.48029	0.7
693.49146	18.6
694.49664	3.1
753.50537	1.0
754.49017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99529	0.2
59.01246	1.0
59.57973	0.2
61.98701	100.0
68.99989	0.2
69.03324	0.5
71.01259	0.4
79.95630	0.2
87.00746	0.2
93.03350	0.3
96.95878	0.8
97.02821	0.6
109.02869	0.2
129.01874	0.3
133.02863	0.3
134.03636	0.6
134.89508	0.2
135.04425	0.4
137.02415	0.3
171.10182	0.2
178.02670	0.4
179.03474	0.3
185.00871	0.3
191.05522	1.4
192.51694	0.2
203.02086	0.3
209.11839	0.3
217.87863	0.2
229.14247	0.2
253.52174	0.2
262.16910	0.2
275.09360	0.6
293.10373	0.9
569.19958	0.2
755.35522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.7
69.24055	15.4
71.01237	3.3
73.02807	6.0
74.26881	1.5
80.54669	1.3
83.01257	2.5
85.02827	1.8
96.95879	15.5
97.06495	2.6
101.02320	2.0
107.01273	3.0
122.83082	1.4
123.00772	2.4
123.04379	4.0
124.01543	1.9
137.02359	1.7
138.89789	1.6
141.05461	3.6
150.03081	3.1
151.00267	10.7
152.00990	4.7
152.98203	2.0
153.01785	3.4
154.02394	1.5
164.01053	3.2
165.05490	2.2
166.02631	7.7
167.03441	12.6
168.00490	1.7
169.01353	2.6
181.01311	4.5
181.04964	7.3
182.01881	1.7
182.55653	1.4
183.06526	3.0
191.05478	2.8
193.01312	1.8
195.02893	6.6
196.03673	6.5
198.99976	1.4
209.04480	2.1
210.05255	3.6
211.02286	1.9
211.06030	9.5
215.09155	2.2
225.07645	4.3
229.03502	1.9
241.07196	7.2
259.08218	1.7
271.02472	1.8
283.02414	2.4
300.02737	39.7
301.03067	5.3
301.54858	1.7
313.85593	1.7
315.05093	100.0
316.05554	7.8
359.13437	12.5
418.10938	1.8
439.09015	2.4
463.14529	4.2
600.61163	1.7
675.19458	4.5
755.14758	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51492	0.1
53.75596	0.2
58.60535	0.1
59.01237	0.9
60.41032	0.1
61.98702	100.0
71.01298	0.2
73.81613	0.1
78.95786	0.6
83.04897	0.3
98.19736	0.3
101.02338	0.3
101.69484	0.2
109.06456	0.3
116.92761	0.2
126.41423	0.2
152.99521	0.5
181.08617	1.4
182.08983	0.5
189.12840	0.2
207.10236	0.2
208.10495	0.2
209.11798	1.4
220.26440	0.2
249.18629	0.6
250.19009	0.3
251.20218	0.7
253.09277	0.4
277.21698	2.3
278.22092	1.3
281.07178	0.1
287.16650	0.5
288.16888	0.4
335.69055	0.2
344.17004	0.1
399.27066	0.2
498.59064	0.2
528.42896	0.2
535.92078	0.2
566.48541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44355	0.2
54.85055	0.2
59.01247	1.1
61.31640	0.2
61.98701	100.0
68.12838	0.2
69.22562	0.3
69.22964	1.9
71.01258	2.9
78.95777	0.6
83.04894	0.4
87.00757	0.2
89.02303	0.2
98.19813	0.4
101.02348	0.3
152.99521	0.5
165.53709	0.2
171.10161	2.1
178.68883	0.2
181.08632	0.3
197.11765	0.4
199.09807	0.3
201.11353	0.3
207.10258	0.6
208.10638	0.2
209.11766	3.9
210.12149	1.1
215.12892	0.2
225.11401	0.8
226.11581	0.4
227.12979	0.3
249.18645	2.1
250.18990	0.9
251.19394	0.3
253.09381	0.6
273.30777	0.2
277.21719	3.8
278.22031	0.5
278.48325	0.2
293.78055	0.2
463.21124	0.3
756.43323	0.2
757.44006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	5.0
57.03326	4.1
58.00469	2.6
59.01251	96.1
60.85729	1.6
61.98700	19.0
65.16514	1.8
69.03323	9.0
71.01252	72.8
71.11039	3.2
72.99184	5.8
73.02824	14.1
73.66230	1.5
75.00729	1.8
83.01260	9.0
85.02822	32.1
87.00738	5.4
89.02303	25.6
93.03353	2.8
95.01261	10.8
96.10458	1.6
96.95888	6.9
97.02840	5.8
99.00784	7.2
101.02324	40.4
109.02806	2.0
111.00745	5.0
113.02328	33.4
119.03387	9.0
125.02328	5.0
129.01855	1.9
133.02869	4.0
141.01852	2.4
143.03421	3.5
150.64688	1.8
156.94501	1.7
159.02991	2.0
161.04408	5.0
178.02557	1.8
185.00830	3.5
191.05576	13.3
203.01875	2.5
290.23969	2.1
311.05591	19.9
312.05896	4.0
315.26056	1.7
363.55875	1.9
415.10452	16.4
416.10617	2.5
487.32697	15.3
488.33167	2.0
505.33878	12.5
649.37982	100.0
650.38385	19.7
667.39111	69.0
668.39764	16.1
709.39862	28.0
710.40405	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	4.6
57.03313	4.0
58.00471	2.7
59.01251	78.6
61.98702	18.1
69.03337	6.8
69.36288	8.1
69.36711	4.3
71.01254	68.0
72.99183	3.6
73.02814	15.2
75.00735	2.5
83.01274	7.9
85.02821	31.8
87.00752	5.3
88.98681	3.0
89.02317	26.5
93.03352	3.1
95.01260	6.7
95.49552	1.3
96.95873	4.3
97.02814	7.6
99.00751	5.2
101.02325	33.6
111.00771	2.2
113.02327	26.3
119.03377	7.9
124.01589	3.1
125.02325	4.9
129.01814	1.4
131.03424	1.9
133.02846	3.4
135.04390	2.5
137.02292	2.0
141.01762	1.9
143.03416	4.4
150.67950	1.4
159.02850	2.3
161.04485	4.4
165.16550	1.4
171.13812	3.5
175.03888	2.9
177.01923	1.8
185.00887	2.9
191.05563	11.0
192.05974	2.2
275.09158	1.8
311.05573	11.3
415.10394	13.3
487.32657	9.8
488.32849	1.8
505.33832	10.3
648.99689	1.5
649.38013	100.0
650.38354	17.0
667.39063	68.1
668.39325	13.6
709.40167	25.1
710.40454	5.3
738.42706	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.2
59.01249	14.6
61.98694	5.4
69.03323	0.7
71.01242	3.4
71.53622	0.5
73.02783	0.5
75.00716	0.4
78.95782	0.8
81.03317	0.5
85.02811	0.9
87.00743	0.9
89.02320	1.8
95.01241	0.7
95.04890	0.8
97.02823	1.8
97.06490	2.0
99.00753	15.6
101.02318	2.8
110.03622	0.8
113.02348	1.4
117.06983	3.1
117.71653	0.5
123.04393	4.3
133.04913	0.4
133.06508	1.0
135.08040	7.6
142.02615	1.4
145.04889	0.5
149.97990	0.4
153.09108	18.6
154.09509	0.7
161.04482	1.0
179.07045	6.2
191.05421	0.4
197.08124	36.8
198.08472	2.1
207.10181	0.6
209.56969	0.4
215.09224	3.2
235.08157	5.2
239.09157	0.6
245.82732	0.4
253.09212	4.8
277.21710	100.0
278.22073	10.5
303.59811	0.4
415.16037	4.1
416.16623	0.6
432.03336	0.5
433.17096	4.8
434.17477	0.5
513.30597	1.0
635.17316	0.5
652.07495	0.4
664.78485	0.5
693.19629	0.7
693.38452	16.7
694.38611	4.2
753.20160	1.8
754.19794	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	20.0
60.21754	0.4
60.53829	0.4
61.41288	0.4
61.98690	0.8
67.27328	0.4
69.03328	2.4
69.82279	2.2
71.01247	3.3
71.04880	0.9
73.02824	0.8
78.95770	0.4
80.96401	1.3
85.02818	0.9
87.00713	0.6
89.02290	1.9
90.61629	0.4
101.02338	1.9
106.90638	0.4
109.06473	0.6
113.02341	1.8
119.03452	0.7
138.14909	0.5
149.09685	0.5
152.99509	0.7
161.04453	1.3
161.09752	0.4
167.10635	2.7
177.12735	0.4
177.62482	0.4
179.05528	1.0
179.10721	1.1
179.14339	2.8
180.14525	0.4
195.10175	1.3
195.13828	8.8
196.14168	0.5
205.12274	8.9
223.13342	100.0
224.13670	8.0
225.00549	0.5
235.08191	1.7
249.18567	56.3
250.18924	5.7
253.09248	6.9
277.21609	0.8
441.21136	2.0
459.22327	15.5
459.39337	0.5
460.22897	2.2
691.40680	1.9
751.39429	2.3
752.39380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.0
59.01250	17.0
59.01908	0.8
61.98705	1.3
69.03323	5.9
69.89473	0.6
71.01254	3.3
71.52752	0.7
73.02818	0.8
78.95794	0.7
79.95618	0.7
80.96391	2.3
83.01226	0.5
85.02824	1.4
89.02309	1.3
89.97709	0.6
95.04874	0.8
97.06470	0.7
101.02345	3.2
113.02287	1.1
121.06507	0.7
125.05991	1.0
135.42776	0.6
151.11186	2.8
159.07965	0.7
161.04462	1.5
167.10638	1.2
177.09138	24.1
178.09482	1.4
184.24242	0.6
195.10207	44.3
196.10521	2.9
235.08220	6.1
253.09253	10.8
277.21713	100.0
278.22073	9.4
319.84973	0.6
513.30676	1.5
555.64331	0.7
711.04712	0.7
751.39221	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.2
59.51471	0.3
60.74881	0.3
61.98679	0.9
65.00192	0.3
67.01749	0.5
67.84310	0.4
69.03307	0.5
71.01241	0.9
71.10986	0.4
71.11307	0.4
71.75206	0.4
73.02811	0.4
73.51073	0.3
85.02827	0.6
88.98692	0.3
91.01777	0.5
96.95888	0.6
97.02876	0.3
101.02313	0.4
109.02835	1.8
113.02325	0.4
118.56763	0.3
122.92770	0.3
128.90045	0.3
132.02074	0.7
133.02843	12.9
134.03580	1.1
135.00775	0.3
135.04401	0.4
145.02754	0.3
147.04443	0.7
149.02284	0.4
160.01549	0.8
161.02292	0.5
163.00240	0.5
171.04459	0.3
175.03937	6.1
176.04398	0.6
177.01859	5.6
187.03975	0.3
191.05495	1.5
199.04007	1.9
201.01837	1.8
219.06480	0.4
224.04744	0.7
225.05511	1.6
239.07027	0.7
241.04936	0.5
243.06651	0.6
249.05487	0.5
251.03416	0.4
255.03065	0.5
265.05035	0.4
267.06744	1.5
269.04486	1.0
283.05972	0.9
284.03226	2.0
285.04047	0.8
293.04510	0.4
297.03925	2.5
298.04855	1.9
309.04062	7.7
309.07373	0.4
310.04553	1.2
311.05597	100.0
312.05957	9.8
323.05576	0.9
324.06357	0.6
325.07184	3.2
341.06622	0.5
353.06729	2.6
379.08154	1.2
397.09222	12.0
398.09604	1.7
415.10327	84.7
416.10669	9.7
429.11813	0.7
559.86932	0.4
572.35065	0.3
577.15875	0.7
649.15533	1.3
649.37952	1.2
667.39490	1.0
699.15411	0.3
709.40186	0.5
750.59351	0.4
753.20160	7.9
754.20715	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17262	0.3
57.03323	0.3
59.01249	0.8
60.99176	1.6
67.01767	3.6
69.03319	1.2
69.24405	2.5
69.24827	1.2
71.01250	1.0
79.90369	0.4
81.03327	0.6
83.04885	0.9
85.02826	4.5
87.00749	6.5
92.10274	0.3
93.03333	25.8
94.03681	0.7
98.19754	0.6
99.04398	0.7
109.02853	0.6
111.04407	3.7
113.02283	0.4
117.03358	0.6
127.03903	1.1
129.01823	0.7
134.03625	7.6
143.03337	0.5
149.06006	0.5
155.03441	0.6
160.01506	0.5
173.04462	7.7
175.03951	0.9
191.05536	100.0
192.05836	3.3
193.04996	4.8
290.67740	0.3
367.10309	39.1
368.10757	4.1
422.52643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84508	0.7
59.01250	100.0
59.86595	0.7
60.01582	0.8
61.98708	2.4
69.50225	0.7
78.95811	0.9
136.81860	0.7
152.99409	0.8
177.00919	0.7
185.72186	0.7
205.86761	0.7
236.00775	1.0
249.18671	0.9
271.44519	0.8
277.21805	1.1
284.35730	0.7
355.71518	0.7
416.50952	0.9
455.17163	3.7
456.17319	1.2
469.11603	1.5
473.18289	4.7
474.18759	1.5
483.12421	1.0
484.13934	0.9
496.14188	2.8
497.14035	1.0
511.16656	1.6
512.13312	10.8
513.13464	3.8
525.14374	1.2
526.15167	12.4
527.15466	3.8
569.16516	1.3
599.17908	1.6
600.18951	1.8
601.19348	4.0
613.19458	2.0
614.20172	69.5
615.20410	17.4
618.16608	1.3
632.17859	1.8
646.19189	9.9
647.19415	2.6
657.13086	0.9
673.22046	1.2
687.22919	4.7
688.23932	1.6
747.25214	53.3
748.25409	18.6
774.65552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	20.6
61.98709	43.3
69.03309	13.1
69.27197	7.8
70.53017	8.6
71.01259	14.2
71.53013	10.6
78.95787	17.4
82.11728	7.6
160.67529	8.1
171.10234	14.6
181.08617	75.1
191.05568	46.3
198.22745	7.5
199.09677	11.4
209.11754	8.8
253.09239	33.1
272.01779	8.1
275.20508	7.8
293.21194	100.0
473.07779	10.4
575.89868	9.7
747.37366	43.7
748.37646	11.3
763.85596	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.2
61.86445	0.3
61.98695	1.8
69.03322	0.5
71.01257	1.8
71.52856	0.5
72.99157	2.7
75.00747	100.0
76.01095	0.7
85.02832	0.5
89.02328	1.5
96.95844	0.4
97.02840	0.5
101.02334	1.2
106.48160	0.4
109.06557	0.5
113.02328	0.7
115.24066	0.3
116.15325	0.3
125.02354	0.6
134.27374	0.3
163.11134	0.4
167.24438	0.3
179.05481	0.4
191.05583	0.7
197.11810	0.7
207.10199	1.0
225.11247	0.8
235.08081	0.7
277.21796	3.2
397.13446	6.4
398.13980	0.8
415.14557	3.1
751.39459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76263	0.1
59.01250	1.0
61.98700	0.4
69.03320	0.1
71.01241	1.0
72.99184	2.7
73.02834	0.2
73.99527	0.2
75.00747	100.0
76.01086	1.1
78.99676	0.1
83.01241	0.1
85.02825	0.2
87.00758	0.2
89.02322	0.9
101.02317	1.0
113.02333	0.4
118.60650	0.1
119.03400	0.2
120.12889	0.1
125.02334	0.4
125.50448	0.1
139.30203	0.1
143.03413	0.2
161.04451	0.3
162.49364	0.1
168.57176	0.1
179.05521	0.3
191.05521	0.1
196.14505	0.1
199.06018	0.1
235.08185	0.6
253.09386	0.1
277.18546	0.2
277.21704	3.1
278.22064	0.3
287.07614	0.2
293.21243	0.1
305.08813	0.2
323.09961	0.2
397.13498	5.5
398.13571	0.5
415.14633	1.9
416.14655	0.2
675.35742	0.1
751.39294	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63115	0.3
59.01251	8.1
61.98708	0.6
62.96276	0.3
71.01241	0.4
78.95777	46.5
83.29393	0.3
87.00742	0.3
96.96844	4.3
127.07560	0.4
134.98430	0.3
141.01595	4.1
150.97939	0.7
152.99493	50.6
153.99829	0.6
162.98706	0.3
171.00566	4.8
176.61632	0.3
188.98457	0.4
196.93159	0.3
203.59256	0.3
205.19498	0.3
223.01978	0.8
227.03220	6.0
232.97560	3.0
233.22600	0.7
233.97748	0.3
245.04236	1.5
253.21707	29.8
254.22092	2.9
255.23277	3.5
259.20673	0.7
275.20120	1.2
277.21719	90.0
278.22076	8.5
279.23352	1.7
280.23584	0.6
305.02383	0.4
314.97958	0.9
315.85272	0.3
396.98273	0.5
413.20966	2.8
463.24661	0.9
481.26471	0.4
483.27417	3.1
487.24402	1.5
505.25739	100.0
506.26056	12.9
507.27496	0.7
513.34088	0.3
741.47137	23.8
742.47577	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.0
60.99176	17.4
61.98698	2.5
71.01267	1.6
78.95785	1.7
87.00758	2.5
88.00276	4.5
88.01086	0.4
88.98676	100.0
89.02314	20.4
89.99022	1.1
101.02314	0.7
109.06506	0.3
143.07019	0.3
150.92764	0.3
152.99486	1.9
171.10164	0.5
189.23164	0.3
191.05573	0.3
192.61685	0.3
197.11626	0.5
201.11240	0.3
203.27330	0.2
209.11786	0.4
225.11336	0.4
255.23288	0.8
277.21817	0.6
279.23279	3.5
303.59985	0.3
309.20743	0.3
321.19849	0.3
321.72763	0.3
397.13419	1.3
415.14618	0.4
507.27039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42109	0.6
59.01255	8.2
59.59485	0.6
61.98690	1.7
69.03323	1.5
70.48244	2.2
71.01252	3.4
72.99170	1.4
73.01260	0.6
73.02818	1.4
75.00757	1.0
79.95606	7.1
80.96383	2.4
83.01241	0.8
85.02825	5.2
89.02312	1.3
95.28065	0.6
95.95116	1.2
96.95889	100.0
97.02793	1.5
98.65613	0.6
99.00749	1.4
101.02310	1.4
103.00243	4.9
109.02852	1.0
111.00808	0.8
113.02305	1.4
113.55253	0.6
120.01115	1.7
129.01846	1.7
134.46864	0.6
138.96959	1.5
141.01805	0.9
150.03128	2.0
150.96982	0.8
151.00307	0.8
152.98508	2.1
152.99762	0.7
153.01805	0.9
159.02940	0.8
164.98503	2.0
165.05484	1.7
168.97951	1.0
176.98465	3.3
177.03983	4.6
191.05518	2.7
195.06583	2.0
231.25963	0.6
238.98598	4.8
241.00256	2.0
246.21518	0.6
256.99713	24.3
270.51477	0.7
299.00815	4.1
300.02780	7.3
301.03070	0.9
315.05090	20.1
316.05524	1.8
387.14490	1.3
515.17743	0.6
535.19623	1.1
561.29401	1.1
579.29486	0.7
659.25916	30.6
660.26361	4.0
665.14685	2.3
701.26880	19.7
702.27673	3.1
716.32635	0.7
727.23608	0.7
745.25867	33.3
746.26300	7.1
774.38068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.9
61.98703	3.6
69.03329	0.3
71.01244	1.0
73.02813	0.3
74.55465	0.2
75.60949	0.2
78.95776	17.8
79.95611	2.7
85.76566	0.2
85.84741	0.2
87.00705	0.2
90.12281	0.2
96.95893	100.0
96.96820	24.1
97.02824	0.4
97.06478	0.2
97.95824	0.3
98.02345	0.4
98.20588	0.5
101.02342	0.5
103.90795	0.2
106.65674	0.2
133.02811	0.2
153.30249	0.2
171.10197	1.0
172.10593	0.2
191.05566	0.5
201.11255	0.4
207.10088	0.2
209.11836	0.5
225.11243	0.3
235.08203	0.3
249.18611	0.7
253.09407	0.4
255.23264	0.5
279.23337	0.5
280.23679	0.2
283.19043	0.2
397.13516	0.9
415.14658	0.4
435.08487	0.3
453.09457	1.1
508.27423	0.3
595.16345	0.2
685.27527	0.8
745.51099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
57.03305	1.4
58.21614	0.6
59.01248	12.6
59.66045	0.4
61.17497	0.4
61.98684	1.4
69.03329	3.1
69.42666	3.2
71.01256	5.7
71.04878	0.8
73.02820	1.3
78.37937	0.4
78.95779	1.0
79.11536	0.4
79.95582	0.6
80.02548	1.0
81.03333	2.6
83.01264	0.9
83.04894	12.1
84.02041	1.2
84.05224	0.6
85.02816	4.7
87.00750	1.8
89.02325	3.6
93.03323	1.3
95.01257	1.0
95.04889	1.2
96.95895	4.5
97.02847	1.6
97.06469	3.6
97.82118	0.4
99.00766	0.6
99.08037	0.7
101.02322	6.2
106.75570	0.4
109.06477	2.0
110.03535	0.4
111.04426	0.6
113.02347	2.9
119.03410	1.3
121.62929	0.4
124.52327	0.5
125.02395	0.7
125.05984	0.6
125.09621	0.8
127.07550	0.6
127.11184	0.8
130.63521	0.4
133.04916	0.6
135.04385	0.7
135.08043	3.3
137.09624	2.1
139.11195	0.7
143.03424	0.5
143.07059	1.6
145.04944	0.8
149.09602	0.8
155.10725	2.2
155.14273	0.4
161.04491	3.5
163.07498	0.8
163.11224	2.8
165.12807	3.3
166.27646	0.4
167.14285	0.5
171.10185	7.7
172.10565	0.5
178.02670	0.5
179.05597	0.5
181.08621	34.9
182.08989	2.1
183.10217	3.7
183.13882	1.3
185.00885	0.6
185.11722	0.9
191.05542	3.9
191.10654	1.1
193.08548	0.5
197.11943	0.5
199.03674	0.4
199.09694	4.8
201.08765	0.4
201.09387	0.5
201.11220	3.6
203.01938	1.1
209.11768	100.0
210.12109	6.7
211.13336	9.3
212.13622	0.6
221.11772	1.4
227.10739	0.8
227.12845	10.8
228.13222	0.6
229.14423	6.1
235.08217	9.1
239.12802	1.0
253.09259	31.3
254.09598	1.8
261.05811	0.4
263.16504	1.4
281.17688	2.3
291.19678	3.2
299.18640	25.2
300.18823	2.3
309.20697	7.1
310.21127	0.7
327.21759	47.2
328.22018	3.6
445.20770	1.5
463.21729	0.6
491.30051	1.0
563.30518	2.8
564.30676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33643	0.1
59.01252	0.9
61.98701	100.0
62.98400	0.1
63.95340	0.0
71.01262	0.2
71.12699	0.1
78.95805	0.1
85.02844	0.1
89.02316	0.1
93.03365	0.1
98.19742	0.1
99.00764	0.1
101.02347	0.2
121.58440	0.1
122.89666	0.1
171.10226	0.1
185.11850	0.2
191.05505	0.3
192.05981	0.1
197.65404	0.1
209.11754	0.4
211.13422	0.1
212.13693	0.1
213.11349	0.2
249.18625	0.2
253.09392	0.1
277.21710	0.1
279.23285	0.1
280.23700	0.2
281.23975	0.1
295.22766	0.1
398.13953	0.1
399.14078	0.2
400.14325	0.1
417.15085	0.1
554.84167	0.1
640.33636	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.3
61.98701	100.0
62.98407	0.2
63.35893	0.0
81.03326	0.1
83.04893	0.3
84.05262	0.1
105.56603	0.0
191.05527	0.3
225.16101	0.1
226.16417	0.1
227.16620	0.1
249.60170	0.0
268.03970	0.0
423.11932	0.1
453.33792	0.1
509.12817	0.1
678.50104	0.2
679.50348	0.8
680.50549	1.5
681.50507	0.1
740.49329	1.3
741.49054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44844	0.3
59.01250	7.3
60.75280	0.3
61.98700	8.5
63.99129	0.6
70.28813	0.3
70.61084	1.2
71.01253	0.5
71.04422	0.4
74.00899	0.4
75.00764	0.6
75.59662	0.3
77.03829	2.5
79.92268	0.3
83.04877	0.6
85.02813	0.5
93.03378	0.5
94.93756	0.4
101.02328	0.5
112.68430	0.4
121.02840	100.0
122.03181	3.0
135.08017	0.5
165.01840	73.1
166.02220	2.3
171.10156	1.0
180.05637	0.6
181.06480	1.6
181.08676	0.5
191.03410	1.5
191.05521	1.7
197.11778	0.7
207.10124	0.4
209.11754	4.7
210.10378	0.4
210.12094	2.5
222.94548	0.4
225.05539	1.9
227.12807	0.6
253.09186	1.4
275.19940	0.4
291.19678	0.7
293.21259	1.2
294.21613	1.0
313.07156	1.5
357.06119	10.9
358.06537	1.3
549.10211	0.6
603.59186	0.4
741.14514	5.1
742.14734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	31.4
61.98705	100.0
62.53568	1.7
69.03349	1.8
71.01250	19.9
71.52816	2.0
72.99212	2.0
73.02805	1.9
78.95776	14.3
83.01254	2.9
85.02819	4.0
87.00765	7.8
89.02316	18.4
97.02830	3.7
99.00760	2.4
101.02316	17.9
113.02332	8.8
113.48673	1.6
119.03395	7.0
125.02355	6.1
143.03397	3.0
147.56642	1.7
152.99500	8.9
161.04428	4.1
171.10205	5.7
179.05518	3.1
225.11331	4.7
235.08221	7.6
253.09230	2.9
253.21675	3.6
277.21756	22.8
278.22134	3.1
279.23218	4.6
283.26425	55.1
284.26749	4.9
295.22794	15.3
305.08755	3.2
329.23212	2.7
397.13489	66.4
398.13745	7.2
415.14603	21.6
416.14926	1.9
505.25708	11.4
681.40802	1.9
689.14465	2.0
705.36176	2.4
741.44696	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37775	1.8
54.77441	1.6
55.01761	2.0
57.03333	1.8
58.00473	2.7
59.01254	47.9
60.01585	1.9
61.98701	7.5
69.03338	2.4
71.01254	31.7
72.99172	3.7
73.02824	6.3
75.20482	1.7
78.95776	2.5
80.15042	1.9
80.39207	1.8
83.01259	3.7
85.02840	5.6
87.00764	7.4
89.02319	25.3
91.79906	1.7
95.01249	3.2
97.02837	7.6
98.18184	1.9
98.20729	1.8
101.02321	22.6
109.06464	1.9
112.30170	1.8
113.02340	10.7
115.87543	1.8
119.03393	8.1
125.02341	8.7
127.11243	2.1
141.01828	2.1
143.03401	4.5
152.99409	2.8
161.04482	8.2
163.11212	2.5
171.10184	45.2
179.05580	6.3
179.54317	1.8
184.19298	1.7
191.05551	5.1
201.11237	2.6
207.10266	4.0
209.11798	6.0
225.11278	19.4
229.59999	2.0
235.08252	13.6
244.07712	2.0
253.09193	6.1
277.21716	66.1
278.21994	6.0
281.24866	88.6
282.25168	6.9
287.07611	2.4
305.08795	6.0
397.13483	100.0
398.13770	6.6
415.09161	3.2
415.14548	34.5
416.15155	2.2
679.39703	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	20.9
61.98702	24.8
71.01251	3.9
77.92934	1.0
78.95772	3.8
80.96402	1.4
85.24142	1.2
88.06191	1.3
89.02325	2.5
101.02282	2.4
122.51276	0.9
151.08220	1.1
152.99561	1.6
166.41310	1.2
171.10226	1.5
183.10197	1.1
183.13864	5.8
193.12332	1.8
197.11792	3.8
207.09999	1.2
211.13336	100.0
212.13683	4.1
235.08119	1.6
249.18576	50.4
250.18832	4.3
253.09161	7.3
277.21667	2.8
278.22092	2.3
279.23129	5.0
284.69986	1.1
292.72208	1.0
293.21182	2.4
429.20978	1.4
447.22174	4.7
573.74921	1.2
721.43445	1.4
739.42291	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.4
57.03322	1.7
59.01251	14.1
61.98701	4.5
70.16199	1.1
71.01250	7.9
71.04889	3.5
71.53921	2.3
78.95776	3.6
82.52110	1.2
83.01266	1.7
87.00733	1.7
89.02313	2.4
97.02868	2.0
97.06467	3.6
99.00761	13.1
101.02317	5.3
109.06445	1.8
113.02345	2.3
119.03435	1.4
125.09603	8.2
131.63548	1.3
152.99458	2.9
163.11189	7.1
171.10170	8.6
181.12248	13.5
191.05542	1.9
199.13306	13.3
201.11217	1.4
207.08342	2.6
207.10199	31.5
225.11269	49.0
226.11682	1.7
229.57114	1.4
235.08124	3.6
243.12331	6.5
249.18616	1.5
253.09268	6.0
269.21564	1.8
277.21713	82.1
278.22055	5.9
279.23227	2.6
331.48486	1.4
443.19003	2.5
461.20163	5.3
470.93192	1.5
721.41577	7.0
739.42676	100.0
740.42889	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	15.9
61.98692	3.5
66.50806	1.5
69.03337	1.6
71.01231	8.7
71.04887	3.5
78.95766	1.8
85.02801	2.4
89.02322	3.1
90.18034	1.4
97.02811	4.5
97.06468	1.9
99.00750	10.7
101.02283	5.4
109.06412	2.9
113.02310	2.0
125.09608	4.7
151.11212	2.2
152.99471	3.4
163.11151	8.4
171.10196	12.5
181.12286	13.4
191.05482	1.7
197.11778	2.5
199.13330	21.3
207.08357	2.3
207.10204	29.6
211.89963	1.6
213.97574	1.6
225.11264	66.5
226.11588	3.8
230.48933	2.7
235.08035	2.6
243.12343	11.1
253.09221	4.5
277.21713	61.6
278.22064	4.8
279.23114	1.8
332.32703	1.7
443.18976	3.1
461.20328	9.7
479.21469	3.5
721.41956	4.2
739.42639	100.0
740.42932	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.5
61.98702	100.0
62.98399	0.1
71.01266	0.3
71.54309	0.1
78.95783	0.1
79.95610	0.1
84.02028	0.1
93.03365	0.1
94.83140	0.1
96.95887	0.9
96.96878	0.1
97.02798	0.1
101.02387	0.1
110.19588	0.1
113.02337	0.1
163.03963	0.2
171.10196	0.2
173.04507	0.1
190.83905	0.1
191.05539	1.3
192.05968	0.1
209.11800	0.2
227.12912	0.1
300.02786	0.1
341.23474	0.4
342.23654	0.5
361.24872	0.1
415.14752	0.1
599.26996	0.2
740.33813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78945	0.2
59.01247	2.6
61.98701	100.0
62.98412	0.2
64.48378	0.2
71.01256	0.8
73.34616	0.1
78.95781	0.2
89.02326	0.2
97.06492	0.2
98.20587	0.4
101.02337	0.2
102.79521	0.2
108.50808	0.2
129.98691	0.2
135.04333	0.2
135.84053	0.2
136.17133	0.2
152.99495	0.2
159.62305	0.1
161.04466	0.2
165.12759	0.2
169.12349	0.2
171.10229	0.3
173.74301	0.2
181.17642	0.2
185.11804	0.2
187.32990	0.2
191.05493	1.2
195.10207	0.3
197.11749	0.9
209.11815	0.4
210.12242	0.2
211.13368	0.4
213.11259	0.2
229.90462	0.2
249.18619	0.9
253.09267	0.4
277.21771	0.5
279.23260	0.2
280.23758	0.3
319.68655	0.2
388.55649	0.2
492.93500	0.2
494.19263	0.2
505.26172	0.3
681.38824	0.4
699.48785	0.2
709.38477	0.6
741.40735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79300	19.8
60.05123	21.1
72.36070	17.7
89.27867	22.9
90.00426	18.2
93.92422	24.6
95.28450	22.7
118.73899	22.3
121.15936	24.0
208.18185	22.2
221.54335	21.4
273.43344	20.9
273.51956	20.2
279.23206	100.0
622.32971	22.8
747.29785	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14196	0.2
59.01214	0.4
61.98659	0.2
62.29554	0.2
63.02269	1.2
65.00161	0.5
69.03252	0.3
70.93166	0.5
71.01200	0.3
79.95561	0.3
83.01253	1.2
87.04355	0.3
93.03297	0.4
95.01248	0.2
96.95886	1.8
97.02776	0.2
107.00659	0.3
107.01264	2.9
108.02013	0.5
123.00740	0.3
124.01501	0.6
136.01550	0.5
136.83002	0.2
148.01564	1.2
149.99437	0.7
151.00279	8.0
151.94568	0.2
152.00830	0.4
154.20837	0.2
155.10686	1.6
163.00237	0.7
164.01047	1.7
165.01395	0.2
169.01300	0.9
173.04434	0.5
174.03009	0.2
187.91277	0.2
191.05511	0.7
192.00439	0.2
195.10327	0.2
199.09702	2.7
200.04738	0.3
202.02626	0.2
215.03476	0.3
216.04163	0.8
227.03439	1.2
228.04227	0.3
241.10793	1.1
243.03061	1.0
244.03622	0.3
253.10800	0.3
255.02882	1.0
262.00934	0.2
271.02502	1.5
272.03174	0.9
275.09296	0.3
283.02496	1.1
283.11768	1.1
289.80127	0.2
299.01877	0.5
300.02750	43.2
301.03152	3.4
315.05103	100.0
316.05417	8.6
317.05811	0.2
343.13971	4.4
344.14392	0.3
380.11179	0.2
423.09543	1.5
659.19861	2.3
660.20166	0.4
739.15332	4.5
740.15973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.412
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08132	0.9
59.01250	20.8
60.49687	0.9
61.98702	2.4
69.03311	6.7
71.01247	4.3
73.02804	1.1
78.95786	2.7
81.03335	1.3
83.04881	1.8
87.00699	1.4
89.02309	1.7
101.02333	3.2
101.15076	0.9
106.93771	1.0
107.04895	1.7
111.04396	5.1
113.02299	1.1
118.00986	1.0
135.08086	1.5
137.09608	4.4
145.06468	1.4
147.04419	1.8
161.04457	1.1
163.07547	60.2
164.07898	2.7
181.08611	48.7
182.08824	1.6
207.10220	1.3
223.13335	1.2
223.71478	1.0
235.08183	5.5
238.84779	1.1
253.09265	9.5
277.21710	100.0
278.22104	7.7
279.23264	1.3
285.35019	1.1
438.39993	1.1
611.05835	1.1
629.92108	1.1
643.46143	1.0
675.17084	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.1
59.01252	26.4
60.42818	0.7
61.98685	2.1
65.43584	0.7
66.33387	0.8
66.61208	0.8
69.03343	5.1
70.89948	0.7
71.01259	3.7
71.04855	0.9
73.02813	1.0
78.33392	0.7
78.95768	3.4
83.04911	0.9
87.00736	0.8
89.02308	2.2
89.62923	0.8
91.53713	0.8
96.95894	3.8
96.96835	1.8
101.02333	2.4
105.72445	0.8
111.08037	0.9
113.02324	1.2
120.95766	0.7
121.10113	0.8
127.07586	0.8
142.95174	0.8
152.80042	0.9
153.09108	0.9
163.11176	1.2
165.12773	4.4
171.10139	1.7
181.12267	5.7
191.05484	0.8
191.10699	10.4
197.11848	1.3
209.11766	100.0
210.12076	5.0
235.08234	2.2
249.18564	61.3
250.18903	4.7
253.09280	7.5
269.17487	2.4
277.21732	2.7
279.23309	1.4
318.40552	0.8
413.03659	0.8
427.19595	2.7
445.20770	15.1
446.21353	1.2
510.76880	0.8
658.54797	0.9
677.38782	2.2
737.40625	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.1
59.01245	15.4
61.75902	0.9
61.98695	2.3
66.32887	0.9
69.03302	3.1
69.95609	4.2
71.01257	5.4
71.04886	1.5
78.95773	3.8
83.04897	1.1
85.02807	1.9
89.02309	3.2
97.36703	1.0
97.58031	0.9
101.02320	4.2
113.02316	1.5
125.09617	1.9
134.03790	1.0
135.99619	1.0
139.59846	1.0
151.11275	1.7
153.47981	1.0
161.04425	1.7
161.09605	3.7
164.28375	1.0
169.12318	1.2
176.54384	1.2
179.10648	5.4
185.89615	1.1
197.11748	77.9
198.12057	4.0
205.08693	3.2
209.11748	2.0
223.09741	2.6
235.08076	1.1
241.10713	5.9
253.09200	4.4
277.21725	32.4
278.21960	3.2
279.23285	11.6
283.26093	1.0
477.19608	3.7
554.64539	1.0
719.40173	1.7
720.98553	1.1
737.41162	100.0
738.41223	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.4
59.01248	13.7
61.98687	2.0
69.03322	3.7
71.01247	5.8
71.04888	1.5
71.52986	0.8
73.02795	1.7
78.95770	2.5
85.02829	2.5
87.00746	1.3
89.02307	2.6
101.02321	3.8
113.02333	2.6
123.08060	1.3
125.09583	1.3
151.11200	2.3
152.99483	1.0
153.12645	1.1
161.04466	1.1
161.09608	2.7
169.12190	1.7
179.10713	8.0
191.05527	1.0
197.11760	46.0
198.12073	1.8
209.11693	5.8
223.09715	1.2
241.10706	1.8
249.18581	6.3
253.09261	4.0
265.81006	0.8
269.17667	1.1
277.21713	51.2
278.22061	5.7
279.23251	1.2
308.22919	0.9
312.23193	1.0
372.08081	0.9
376.93198	1.0
477.19736	1.0
564.96637	0.9
737.41168	100.0
738.41437	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55368	0.1
56.85644	0.1
59.01259	0.3
61.98701	100.0
62.98396	0.2
71.01261	0.2
81.95956	0.1
83.41541	0.1
89.02307	0.2
98.20606	0.1
101.02368	0.1
106.01392	0.1
113.02276	0.1
119.03401	0.1
152.67671	0.1
220.29207	0.1
277.21680	0.2
278.22095	0.2
279.22974	0.2
397.13846	0.2
398.13898	0.2
399.13824	0.4
400.14395	0.1
417.15189	0.1
550.38275	0.1
555.15277	0.1
605.43518	0.1
688.70612	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68566	0.1
59.01252	0.3
61.98702	100.0
62.98409	0.2
65.55711	0.1
70.39207	0.3
71.01255	0.1
122.12781	0.1
154.96709	0.1
172.04025	0.1
209.11826	0.2
209.44061	0.1
211.29216	0.1
278.22244	0.2
279.22467	0.1
293.21548	0.1
314.65723	0.1
398.14059	0.1
399.13953	0.2
400.14447	0.1
679.62201	0.1
739.14667	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08689	0.5
53.00194	0.7
55.01773	0.6
59.01247	9.2
61.98690	2.0
62.98268	0.5
67.02387	0.5
68.99699	0.8
69.03334	1.2
69.72275	0.6
69.82293	2.1
69.82713	1.1
71.01254	86.0
72.01587	0.9
73.02824	1.1
73.76122	0.5
78.95780	0.6
83.01255	0.8
83.04865	0.6
85.02833	1.4
87.00739	1.1
89.02319	2.5
94.29820	0.5
95.01279	0.8
95.04909	2.4
97.06462	6.4
99.00754	3.3
99.08028	2.1
101.02335	4.6
109.06489	2.8
113.02341	2.7
117.07019	1.0
119.03440	0.5
123.04457	1.2
125.05977	18.8
127.07550	1.9
133.06468	1.2
135.08034	3.9
135.57268	0.6
136.08403	0.8
137.05988	1.4
143.07037	38.5
144.07405	1.2
153.05495	9.0
153.09099	2.8
154.05844	0.6
155.07086	1.5
161.04494	1.2
161.05898	0.5
171.06544	1.6
171.10139	1.6
173.08087	3.9
179.07066	6.8
197.08109	4.4
197.11713	0.6
215.09167	1.0
235.08170	3.9
253.09251	9.2
277.21716	100.0
278.22018	9.8
337.47360	0.6
355.91000	0.6
433.17120	0.8
451.17728	0.6
583.36230	0.6
711.39758	1.6
729.40503	9.9
730.40900	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95238	0.2
59.01245	0.2
61.98702	100.0
68.58248	0.2
69.03010	0.2
69.03312	1.0
69.20310	0.7
69.20731	1.3
71.01265	0.4
78.95819	0.4
96.95914	0.6
97.02840	0.6
98.20604	0.3
133.02861	0.3
135.04384	0.4
141.01863	0.3
185.00928	0.7
191.05574	0.8
203.02017	0.2
209.11818	0.4
210.76280	0.2
229.08841	0.3
275.61511	0.2
461.11206	0.3
687.43781	0.2
719.62091	0.3
725.19202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07129	0.3
58.11860	0.2
59.01237	0.7
60.99178	16.9
61.98711	1.4
69.03326	0.5
69.81870	1.5
71.01270	0.5
80.73496	0.2
81.43486	0.3
85.02827	0.4
87.00757	2.2
88.00278	3.6
88.98678	100.0
89.02316	13.1
89.99018	0.8
93.03339	0.5
95.04928	0.4
97.02824	1.9
97.06499	0.3
98.19813	0.4
105.03363	0.5
121.02814	0.3
133.02852	2.3
134.03638	7.8
135.04442	3.1
137.02322	1.0
141.01834	0.4
160.01555	0.5
161.02365	0.4
162.03136	1.9
177.01848	1.4
178.02626	3.6
179.03358	1.7
185.00815	0.4
191.05536	0.7
209.11841	0.6
213.05705	0.4
231.10237	2.0
249.18565	0.6
258.05258	0.5
275.06204	0.6
275.09250	11.3
276.09622	1.2
289.18063	0.4
291.19711	0.4
293.10306	6.0
294.10684	0.5
305.94431	0.3
397.13586	0.8
626.63751	0.3
753.26508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.1
61.98709	1.1
69.62302	1.1
69.62722	1.5
71.01253	25.7
72.01603	0.4
72.99178	1.6
73.02816	0.7
75.00745	100.0
76.01100	0.7
76.07241	0.4
78.95777	0.5
83.01265	0.6
83.04902	0.4
85.02775	1.0
87.00752	1.0
89.02313	2.2
97.02831	0.8
98.20445	0.7
99.00770	0.5
101.02337	2.3
102.07386	0.4
109.06491	1.9
113.02317	1.3
119.03414	0.8
125.02393	0.4
125.09653	0.8
127.11224	0.8
133.58553	0.4
155.10686	0.5
161.04555	0.7
163.11191	1.0
171.10185	24.3
172.10541	1.0
181.08629	0.5
181.12172	0.9
199.09676	5.0
199.13358	0.9
201.11247	5.4
201.12956	0.5
207.10220	6.5
225.11253	4.8
235.08212	1.3
243.12440	0.7
249.18571	18.5
250.19016	1.2
253.09241	3.3
255.23279	2.0
277.21841	1.4
364.89301	0.5
397.13443	5.9
398.13907	0.7
413.31271	0.5
415.14670	1.8
435.19211	1.1
461.20416	1.6
653.38220	0.6
693.38708	1.2
729.40613	5.1
730.41425	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32523	1.3
59.01239	11.0
61.98685	4.0
69.03336	1.4
70.74735	1.5
71.01255	76.5
73.02797	2.4
78.95776	2.5
85.02814	1.6
87.00765	2.0
89.02306	2.4
95.04899	3.6
97.06481	7.8
101.02345	1.9
109.06484	2.7
125.05994	16.5
135.08081	3.4
143.07043	37.5
151.16817	1.6
153.05473	9.7
153.09122	3.5
155.07030	2.2
173.08128	2.6
176.74039	1.9
179.07040	9.4
197.08043	5.6
235.08214	3.4
249.06731	1.4
253.09229	9.2
277.21713	100.0
278.22055	8.8
285.20575	1.4
366.76981	1.5
711.39838	1.9
729.40808	11.2
730.40515	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00190	1.2
54.03084	0.8
55.60462	0.7
59.01252	11.2
61.98704	4.8
64.63820	0.9
65.54347	0.8
69.03336	1.2
71.01253	100.0
71.52542	0.9
72.01608	1.5
73.02814	1.9
83.04872	1.3
85.02812	1.6
89.02312	2.7
96.95869	0.9
97.02822	1.2
99.00757	1.6
101.02323	4.0
109.06464	4.8
113.02338	1.5
118.44036	0.8
125.09615	2.0
127.11176	2.3
137.09621	1.0
153.09142	1.2
156.00542	0.9
161.04475	1.7
163.11140	2.6
171.10185	87.7
172.10599	4.4
181.08681	1.0
181.12225	2.0
181.87505	0.8
199.09721	10.4
199.13324	1.6
201.11244	13.7
207.10211	15.0
225.11282	11.2
226.11731	0.9
235.08238	2.4
243.12360	2.3
249.18588	50.3
250.18907	4.8
253.09273	10.0
280.67120	0.9
434.16522	0.9
435.18597	1.4
461.20432	4.0
693.38544	3.0
711.39319	1.6
729.40558	10.8
730.40784	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.8
59.01255	9.7
60.95182	1.3
61.98704	10.1
71.01251	100.0
71.52709	1.6
72.01575	2.0
73.02783	1.6
78.95767	2.2
89.02345	4.1
101.02324	2.5
106.36566	1.4
109.06480	4.1
121.02834	4.9
125.09631	2.1
127.11211	3.7
156.72682	1.5
163.11212	2.7
163.37286	1.4
171.10170	90.6
172.10510	5.1
181.12196	2.3
199.09668	10.7
201.11258	16.2
207.10149	12.6
209.04428	2.8
210.04788	2.4
225.11359	10.6
235.08386	2.0
249.18546	55.0
250.18774	5.4
253.09285	10.1
339.42996	1.5
412.22592	1.6
461.19977	3.4
550.02728	1.5
550.98553	1.7
684.09937	1.7
693.38306	3.2
729.40509	10.7
730.40613	3.5
745.47662	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24422	0.8
53.35809	0.9
53.69205	1.0
56.51580	0.9
57.51413	0.8
59.01252	15.1
61.98707	7.4
69.03311	1.3
70.90957	1.1
70.91291	1.5
71.01254	95.1
73.02814	2.4
78.95760	1.3
83.04882	0.9
85.02818	2.0
89.02303	3.9
91.18817	0.9
97.02820	1.5
99.00758	2.9
101.02306	4.4
109.06474	8.2
113.02304	2.9
119.03439	1.0
125.09613	3.7
126.90293	1.6
127.11180	4.1
129.29793	0.9
137.09634	1.6
152.99358	0.9
153.09068	1.4
155.10678	1.8
161.04480	1.1
163.11145	5.0
171.10181	100.0
171.97621	0.9
172.10481	3.6
181.08514	1.0
181.12247	2.8
191.05574	1.2
199.09677	20.3
199.13292	2.7
200.10027	1.3
201.11246	21.2
207.10196	23.0
208.10620	1.4
213.20084	0.9
225.11273	15.4
235.08121	2.1
243.12360	2.7
249.18567	66.5
250.18944	4.4
253.09264	14.0
254.09407	1.1
343.24899	1.3
435.18686	2.5
443.19421	1.0
461.20242	5.1
479.21457	1.1
512.00140	1.1
568.46570	1.3
693.38428	4.0
711.38440	1.7
729.40570	13.8
730.40631	2.8
731.68420	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.4
58.00478	0.5
59.01250	22.3
61.98702	0.4
70.73148	0.8
71.01247	2.3
73.02812	0.6
78.95771	1.4
85.02815	0.8
89.02325	1.3
98.44203	0.4
100.95691	0.4
101.02324	2.6
113.02328	1.3
115.04599	0.3
119.03355	0.6
125.09621	0.8
127.11188	1.5
152.99455	1.2
161.04436	0.9
171.10188	87.2
172.10535	3.8
197.11798	5.1
209.11780	1.1
222.38794	0.4
233.22469	0.4
235.08246	3.3
235.32837	0.4
251.20139	2.0
253.09268	6.4
254.09711	0.5
256.03119	0.4
257.80890	0.4
277.21710	100.0
278.22070	8.8
279.23340	0.5
280.23682	0.7
281.24533	0.8
407.19162	0.9
416.65845	0.4
433.51685	0.4
513.30920	0.8
516.35425	0.4
525.19019	0.4
709.38464	0.6
727.37506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2554
Annotation	Erythro-carolignan E
Peak:m/z	Relative Intensity
58.30900	1.3
59.01245	4.8
61.98702	18.0
66.90904	1.2
67.74412	1.4
69.03337	2.1
69.73017	7.2
71.01293	2.4
83.04858	1.7
91.02193	1.3
96.95889	2.0
98.20493	1.8
105.03371	2.6
108.02062	1.7
108.23740	1.4
109.02730	1.6
109.06503	1.8
117.03314	4.9
119.47636	1.6
121.02795	2.6
132.02042	8.3
133.02867	10.4
134.03625	100.0
135.04485	16.1
136.01535	5.2
137.02367	9.9
139.03909	5.0
143.07018	2.0
145.02795	1.3
147.04396	1.8
148.05186	4.5
149.02246	1.5
149.05978	21.6
149.42116	1.6
150.03104	4.0
159.34430	1.5
160.01555	28.9
161.02339	7.5
162.03131	2.6
163.03880	3.0
165.93730	1.6
171.10162	5.5
172.21773	1.4
175.03917	43.6
176.04333	3.2
176.50504	1.4
178.02621	36.8
179.03407	14.9
181.08617	4.2
191.05518	4.0
192.04182	3.6
193.04979	77.3
194.05363	4.2
209.11786	5.9
211.13486	2.3
227.13068	1.6
253.09265	3.4
265.18137	2.0
283.19162	2.0
311.22220	3.2
342.10983	10.3
343.11703	4.5
353.10342	2.9
356.12643	3.6
357.13443	16.0
371.11478	2.1
395.19626	1.5
397.12823	3.0
403.00583	1.8
453.43976	1.9
503.16809	10.9
505.18872	3.4
517.18524	2.6
553.20746	7.6
567.20203	2.0
729.25604	35.0
730.25806	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.3
61.98700	1.2
71.01248	3.0
72.99184	2.3
75.00744	100.0
76.01068	1.3
85.02811	0.3
87.00742	0.6
89.02325	0.8
94.85625	0.2
95.14159	0.2
98.19760	0.5
101.02302	1.0
113.02312	0.5
119.03360	0.3
125.02328	0.3
143.03348	0.3
161.04477	0.2
171.10168	1.6
179.05377	0.2
199.09712	0.6
201.11243	0.5
207.10262	0.5
225.11201	0.3
226.93697	0.3
235.08173	0.5
249.18578	1.2
253.09248	0.4
255.23247	2.6
277.21744	0.5
286.16611	0.2
287.07864	0.3
397.13489	5.3
398.13739	0.5
415.14621	1.5
462.90924	0.2
729.40479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20261	0.3
57.03327	0.8
58.00471	0.4
59.01252	8.9
59.22491	0.3
61.00178	0.3
61.98701	4.4
67.01707	0.3
67.26956	0.3
69.03317	1.3
69.96291	1.2
71.01252	3.8
71.04875	0.4
72.99197	0.5
73.02814	0.8
75.00739	0.5
77.83372	0.4
78.95771	0.4
80.02525	1.0
81.03339	1.9
83.01246	0.7
83.04892	6.8
84.02051	0.9
85.02838	1.9
87.00732	0.7
87.39600	0.3
89.02313	3.0
93.03345	0.5
95.04891	1.3
96.95874	1.0
97.02823	2.4
97.06466	1.3
98.20460	0.4
99.00729	0.4
99.04356	0.3
101.02329	3.4
109.06461	1.0
110.19563	0.3
111.08025	2.7
113.02322	2.3
119.03369	0.9
121.06487	0.4
121.10052	0.5
121.17681	0.3
122.23502	0.3
123.07996	0.5
125.05970	0.8
125.09622	1.7
127.22134	0.4
134.03687	0.3
135.04439	0.4
135.08096	2.3
137.09607	1.8
141.01929	0.5
143.03386	0.5
143.07021	0.9
149.09616	0.5
151.07581	0.4
151.11241	0.4
153.09146	0.7
155.10638	0.5
161.04521	1.8
163.11198	3.7
165.09169	0.4
165.12755	2.4
169.08617	7.0
169.12198	0.5
171.10187	4.2
179.05545	0.8
181.08627	12.7
181.12231	1.0
182.08997	0.7
183.10208	1.6
191.05580	1.3
191.10681	0.8
197.11786	4.5
198.12074	0.4
199.09702	3.0
199.13245	0.5
201.11240	1.1
207.10207	1.4
209.11768	100.0
210.12108	6.4
211.13309	1.7
219.17490	1.2
223.13440	0.5
223.17056	0.4
225.11276	3.4
226.11548	0.8
227.12842	12.1
228.13132	0.6
235.08229	3.7
235.17163	0.7
237.14951	0.4
245.15361	0.5
247.17097	0.4
253.09259	15.5
254.09608	0.7
263.16501	6.5
264.16837	0.6
265.18115	1.8
273.18408	0.4
275.09595	0.3
281.17575	15.5
282.17929	1.3
291.19675	3.6
309.20718	10.1
310.21191	1.1
445.20724	1.1
447.22101	0.3
461.20297	0.6
463.21838	0.4
550.29865	0.3
592.36426	0.4
727.38782	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18811	2.1
58.00442	3.1
58.78955	2.4
59.01250	46.5
61.98709	6.5
69.03317	4.3
69.23376	24.4
71.01247	31.5
73.02831	5.8
83.01265	3.0
85.02824	9.8
87.00748	8.3
89.02331	22.6
93.58904	2.4
95.01276	2.9
97.00334	2.4
97.02847	3.1
101.02307	21.6
110.30963	2.2
113.02324	12.8
119.03394	7.0
122.22789	2.3
125.02370	11.6
136.54813	2.0
141.09116	3.3
143.03418	4.6
149.12817	2.1
152.77843	2.0
152.99356	2.3
161.04497	3.9
169.12312	4.9
171.10191	13.1
179.05556	5.3
191.05482	2.7
201.07368	2.1
235.08156	8.4
253.09377	6.1
269.24854	76.5
269.27768	4.0
270.25229	9.5
277.21780	22.2
281.16846	2.5
312.38379	2.4
333.54318	2.3
397.13483	100.0
398.13812	9.8
415.14594	30.9
416.14819	3.6
675.22461	2.7
727.42810	17.1
728.43225	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	16.6
61.98689	3.2
67.91082	1.0
71.01257	6.8
71.52962	1.0
71.53345	1.6
73.02824	1.3
78.95760	2.6
83.01251	2.3
83.04895	13.5
85.02817	1.9
87.00751	3.5
89.02325	2.1
91.49707	1.1
97.06433	1.1
99.08484	1.1
101.02319	4.1
109.06470	2.1
113.02311	2.2
135.08060	2.6
137.09641	1.8
139.16515	1.0
145.04875	1.4
161.04443	1.8
171.10161	2.3
181.08617	62.2
182.08955	3.1
199.09645	4.5
199.13336	30.6
200.13712	3.2
209.11769	1.2
225.11273	1.5
235.08121	4.2
249.18564	18.0
253.09215	13.5
265.17957	1.9
277.21713	100.0
278.21970	10.4
293.21121	1.3
431.31595	2.1
548.10773	1.1
653.90735	1.3
709.34265	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41872	0.3
59.01251	14.9
61.98672	0.5
71.01234	1.8
78.68620	0.3
78.95760	1.7
85.02838	0.4
89.02305	1.1
101.02338	1.8
113.02311	0.8
119.84039	0.3
125.09642	0.7
127.11181	1.4
152.99493	1.3
153.09142	0.5
161.04465	0.8
166.63300	0.3
171.10176	100.0
172.10521	5.2
199.09737	0.3
209.11789	1.0
210.12079	0.7
219.39668	0.3
229.17032	0.4
235.08177	1.4
253.09265	6.1
255.23245	1.0
260.85464	0.3
277.21716	48.6
278.22128	4.7
279.23413	0.4
280.23657	0.5
393.95044	0.3
400.13748	0.4
407.19308	2.8
608.77240	0.4
727.37164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.8
59.01250	11.5
61.98699	5.1
69.03322	0.9
70.94024	0.8
71.01254	4.3
72.99180	1.0
73.02818	0.8
75.00742	1.0
78.95781	0.7
79.95605	13.3
80.96376	2.6
83.01263	0.7
85.02815	3.3
87.00788	0.4
89.02334	1.3
91.19430	0.3
93.03301	0.4
95.95107	9.1
95.95715	0.5
96.95888	100.0
97.02835	1.1
97.95795	0.5
99.00750	0.9
101.02344	1.7
103.00254	6.1
113.02345	0.9
115.03884	0.6
115.76422	0.3
119.04918	0.3
129.01845	1.8
132.14214	0.3
134.97484	0.5
138.96964	1.4
141.01797	0.4
145.90857	0.3
146.06555	0.3
150.96965	1.1
152.98529	2.2
159.02910	0.3
164.98575	2.0
168.98070	0.8
174.78391	0.3
176.98555	1.6
177.01802	0.3
177.02357	0.3
177.03940	3.6
180.98059	0.7
191.05571	1.3
194.99568	1.5
219.05043	0.5
225.00711	3.3
232.14793	0.3
238.98628	3.6
241.00186	2.0
256.99704	20.3
257.99979	0.7
267.01840	0.6
274.05811	0.4
299.00742	3.1
300.02728	0.4
315.05133	1.5
316.05417	0.7
385.65695	0.4
447.21414	0.4
461.18564	0.8
463.20026	7.9
464.20135	0.8
505.20920	2.0
509.69772	0.4
543.27966	0.8
561.28992	0.5
603.30750	0.4
641.24817	35.7
642.25232	5.6
683.25873	22.4
684.26160	3.2
709.23163	1.5
710.22028	0.3
727.24866	23.3
728.25281	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.5
55.48261	0.7
55.86327	0.6
57.03336	1.3
58.00473	1.1
59.01251	26.1
61.98701	5.1
69.03318	1.8
71.01254	7.9
71.52719	1.1
71.93145	0.6
72.99151	0.8
73.02818	1.5
78.95782	1.5
80.02568	1.4
81.03326	2.8
83.01270	3.3
83.04898	20.8
84.05257	1.0
85.02823	2.6
85.96109	0.6
87.00748	0.9
89.02307	5.4
89.84251	0.5
90.80533	0.6
91.44498	0.5
93.34831	0.6
95.01279	0.7
95.04901	1.5
96.95888	1.7
97.02840	2.1
97.06474	1.4
99.00732	1.3
101.02313	6.7
102.50304	0.6
107.04925	0.8
108.19581	0.6
109.06481	4.8
111.08030	8.3
113.02345	4.5
119.03387	2.6
119.08556	0.9
121.06467	0.7
121.11542	0.5
123.08080	0.8
125.05975	1.7
125.09626	1.7
127.07535	1.6
132.09467	0.6
134.03574	1.0
135.04408	0.6
135.08058	7.6
137.09616	4.5
143.03377	0.7
143.07082	2.9
151.11157	0.8
153.09076	1.0
153.12808	0.9
161.04510	2.7
161.05820	0.5
163.07542	2.1
163.11176	1.6
165.12802	1.9
167.10646	0.8
169.08571	1.6
169.12234	3.4
171.10188	7.7
174.99179	0.6
179.05644	1.3
179.07097	1.0
179.10593	0.8
181.08620	100.0
182.08966	4.9
183.10173	1.1
183.13794	1.4
185.11716	0.7
191.05510	1.6
193.12277	1.0
197.11758	45.6
198.12105	2.3
199.09702	9.6
199.13332	4.6
207.10208	2.9
209.11760	13.5
211.13336	9.4
211.93388	0.6
212.13837	0.7
225.11281	5.5
225.14886	0.8
227.12810	5.7
235.08131	3.2
241.01257	0.6
243.12325	1.6
247.17024	1.0
247.20584	1.0
253.09261	30.6
254.09604	1.8
263.16522	1.7
263.20230	3.5
265.18173	2.8
273.18594	2.0
281.17520	2.5
291.19656	26.3
292.20087	2.1
293.21262	4.9
309.20703	78.5
310.21021	7.0
433.20807	0.6
461.20093	0.8
491.29913	0.7
545.30023	1.4
669.89465	0.7
727.27930	0.9
727.39160	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31466	1.2
55.03399	1.2
57.03304	3.2
57.79851	1.3
59.01250	53.9
60.01574	1.4
61.98707	13.0
66.63118	1.1
69.03316	3.6
69.83070	4.3
69.83481	2.1
71.01255	11.9
71.04872	1.2
72.99162	2.7
73.02801	1.5
75.00745	79.9
78.95768	2.5
81.03328	2.1
83.01251	1.4
83.04901	6.3
83.07675	1.2
85.02814	2.0
87.00752	2.4
89.02283	4.5
93.03370	2.6
95.04873	5.9
96.95850	1.7
97.06464	8.5
98.20525	1.4
99.00729	2.0
101.02336	7.4
107.04910	1.5
109.06480	2.9
109.79508	1.1
111.08029	2.1
113.02333	2.1
123.08033	17.3
125.02380	1.2
125.09559	2.2
133.06447	4.6
135.08089	2.3
137.09641	2.0
139.89500	1.2
151.07539	9.5
153.09122	2.1
161.04440	1.9
163.07607	1.5
163.11153	3.2
165.12764	2.5
169.08598	22.9
171.10194	7.7
179.07033	2.1
181.08667	9.6
181.12189	1.6
183.10098	1.8
185.11728	1.8
191.05521	4.6
195.06361	1.4
195.13794	6.8
197.08115	1.4
197.11700	1.4
199.09631	2.8
199.13222	1.7
207.10214	4.1
209.11766	44.1
210.12079	3.6
213.07683	1.5
217.15901	1.9
223.13312	4.2
225.11267	3.3
227.12871	9.6
233.15361	1.4
235.08090	2.8
251.20105	3.7
253.09291	11.1
261.14902	3.3
275.09183	1.5
275.19946	5.8
279.15955	5.4
289.18060	2.2
291.19775	3.6
291.41159	1.1
293.10376	1.5
293.21194	21.9
307.19131	4.5
308.65259	1.2
309.20728	2.0
337.20007	1.4
337.43408	1.6
364.42810	1.2
395.99454	1.3
397.13522	4.8
415.14200	2.3
457.50922	1.4
489.32254	3.3
507.33099	2.2
530.65106	1.5
725.37518	100.0
726.38031	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.6
59.01251	11.8
61.98702	2.8
69.03312	0.9
70.25251	0.7
70.25634	0.9
71.01257	4.0
72.99175	1.4
73.02814	0.7
75.00735	0.8
78.95760	0.6
79.24448	0.4
79.95606	6.6
80.96384	2.5
83.02396	0.4
85.02823	4.3
87.00737	0.6
89.02332	1.9
95.93687	0.4
95.95113	2.4
96.95887	100.0
97.02812	2.6
98.20436	0.5
99.00754	1.1
101.02302	1.5
103.00249	6.3
113.02354	1.1
115.03909	0.9
117.01896	0.4
120.33170	0.4
123.05943	0.4
127.32285	0.4
129.01804	2.1
134.97542	0.5
138.96951	1.1
141.01886	0.6
150.96960	1.0
152.98529	1.7
159.02863	0.9
161.04453	0.5
164.98517	1.8
168.98030	0.8
176.98566	2.1
177.03949	4.1
180.97935	0.6
190.60504	0.4
191.05522	1.5
194.99638	1.0
200.42020	0.4
219.05016	0.7
225.00639	0.7
238.98668	5.2
239.43729	0.4
241.00206	1.9
256.99701	26.9
258.00009	1.1
282.24316	0.4
299.00806	4.7
315.05252	0.6
329.23285	1.1
415.14432	0.4
461.18518	2.0
463.20132	5.6
464.20297	1.0
505.21024	1.4
542.32928	0.4
641.24823	33.6
642.25061	5.3
683.25836	19.6
683.34760	0.4
683.37671	0.6
684.26196	3.2
709.23755	1.2
727.24768	25.5
728.25104	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	8.9
59.47370	0.3
61.98698	0.8
69.03336	0.3
70.13383	1.3
71.01248	2.7
73.02805	0.6
78.95773	0.9
80.02551	1.0
81.03336	1.2
83.01272	0.5
83.04893	4.1
84.02036	0.7
85.02834	0.7
89.02301	1.7
95.04928	0.6
97.02815	0.4
101.02345	2.0
102.55851	0.3
109.06468	0.6
113.02318	0.9
119.03377	0.7
124.85633	0.3
125.05950	0.5
125.09599	0.4
133.59872	0.3
135.08060	0.4
135.09499	0.3
147.11592	0.4
152.99477	1.2
161.04453	1.1
163.11192	3.8
164.26111	0.3
165.09050	0.4
165.12733	1.8
177.09122	0.4
181.12257	0.5
191.10718	0.8
195.10187	1.1
207.10156	0.8
209.11771	100.0
210.12106	7.5
223.09683	0.4
225.11302	1.1
227.12846	10.0
228.13094	0.8
235.08189	1.3
249.18567	0.5
253.09277	7.2
275.57617	0.3
277.21735	45.2
278.22079	5.0
279.23221	0.5
340.99762	0.4
362.12390	0.3
409.49969	0.3
439.36319	0.3
445.20929	0.8
469.14706	0.6
557.27802	0.4
693.69971	0.4
705.36176	0.7
723.43518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.4
59.01245	9.0
61.98694	0.8
69.81496	1.0
71.01248	3.7
72.99146	0.5
73.02794	0.9
74.68468	0.3
78.95764	1.9
80.02545	1.1
80.29398	0.3
81.03311	1.2
83.01242	0.6
83.04899	4.0
84.02039	0.8
85.02814	1.0
87.00731	1.2
89.02330	2.1
89.15284	0.3
95.01253	0.4
95.04919	0.5
97.02806	0.3
98.19910	0.4
100.20146	0.3
101.02316	3.3
109.06474	0.4
113.02339	1.7
113.85666	0.3
115.81406	0.3
119.03398	0.6
123.13983	0.3
135.08032	0.4
143.03430	0.4
145.04974	0.5
152.99487	1.6
161.04462	1.4
163.11189	2.8
165.12785	2.5
166.30801	0.4
181.12233	0.5
191.10744	0.8
199.13379	0.4
207.10106	0.6
209.11763	100.0
210.12091	7.0
227.12825	10.8
235.08202	4.3
253.09261	10.7
253.21700	0.4
254.09627	0.5
277.21704	85.9
278.22043	9.3
279.23447	0.7
409.73486	0.3
445.20700	0.6
469.14810	1.3
705.35986	1.5
706.35809	0.5
723.43457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.6
61.98702	1.1
69.03320	0.4
71.01245	1.6
71.54166	0.6
72.45894	0.4
72.99167	1.9
75.00747	100.0
76.00576	0.4
76.01083	1.1
83.04943	0.5
85.02830	0.9
87.00768	0.7
89.02332	1.0
93.03311	0.5
95.04910	0.4
96.95906	0.8
97.02885	0.8
101.02332	1.7
105.10945	0.4
109.94296	0.5
113.02295	0.9
125.02376	0.3
135.08078	0.6
161.04483	0.4
171.10167	0.6
179.07045	0.8
181.08679	0.7
191.05482	2.3
195.10275	0.5
197.08136	0.5
202.19920	0.5
207.10219	0.6
209.11755	0.6
221.11642	0.5
223.13347	0.5
225.11317	1.2
235.08211	0.9
239.77473	0.4
249.18562	3.6
250.18803	0.5
253.09238	1.3
289.17987	0.9
305.17679	0.6
307.19052	0.5
309.20694	0.4
370.40399	0.4
397.13489	6.3
398.13855	0.6
403.04901	0.4
415.14606	2.3
461.20221	0.5
516.77521	0.4
558.06848	0.4
723.35822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.4
58.00491	0.8
59.01250	35.4
61.58500	0.6
61.98705	3.8
67.01789	0.7
69.03322	7.0
71.01256	6.2
71.04884	1.1
71.52946	0.9
71.53388	0.6
73.02817	2.1
78.95786	3.9
83.01255	1.1
83.04903	1.9
85.02837	2.9
87.00761	1.3
89.02313	4.3
90.23118	0.7
93.03330	1.4
95.04894	2.1
96.95873	0.8
96.96799	0.8
97.02849	1.4
97.06438	1.1
101.02325	6.2
109.06472	2.6
111.00645	0.6
111.08037	6.2
113.02335	3.5
114.90903	0.7
119.03384	1.1
121.06509	0.9
121.68185	0.7
123.04414	0.8
123.08057	0.8
125.09617	2.1
135.08032	0.8
137.09605	0.9
139.11145	0.8
141.09108	1.3
145.05019	1.2
149.09598	2.0
151.07516	1.2
151.11183	2.3
152.99535	2.0
153.09155	1.5
155.10614	1.0
161.04446	3.3
163.11110	1.1
167.10703	5.2
169.08620	15.7
169.12267	2.0
171.10191	2.0
177.09151	6.5
177.12778	1.9
179.05527	0.9
179.10759	1.3
179.14346	2.9
183.10193	2.6
191.05502	3.0
193.08604	0.7
195.10210	22.1
195.13815	12.8
196.10542	1.5
197.11761	16.1
198.12070	1.0
199.09683	1.0
199.13226	0.9
205.12267	9.9
207.10129	1.4
209.11804	2.9
211.13345	2.5
221.11780	9.1
223.13348	100.0
224.13681	6.9
225.11357	1.1
235.08206	7.6
239.12892	5.0
253.09248	20.6
254.09596	1.6
261.78299	0.7
263.16507	8.2
263.19254	0.9
263.20230	0.7
264.17007	0.7
265.18018	7.0
277.21518	0.7
281.17575	24.4
282.18018	1.5
291.19672	6.4
291.50601	0.7
293.21179	1.1
298.52914	0.7
309.20715	24.3
309.24301	1.3
310.21124	1.9
431.19296	1.0
459.22366	13.4
460.22482	1.6
487.30783	0.9
545.29803	0.9
554.66583	0.7
631.38275	0.7
663.16498	0.8
681.49438	0.7
723.38690	2.3
724.34930	1.3
739.59631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.8
62.09037	0.6
66.23109	0.6
69.24061	0.7
78.95772	30.7
80.02542	2.3
81.03312	1.5
83.04906	6.4
84.02048	1.4
85.93192	0.6
87.89874	0.5
91.01479	0.6
96.96843	2.9
135.08076	0.8
146.63957	0.6
150.97926	1.1
152.99487	50.1
153.99805	0.9
163.11174	5.4
165.12756	2.8
171.00554	4.2
181.12282	1.4
191.10710	1.3
199.70660	0.6
209.11765	100.0
210.12112	7.4
227.03198	4.1
227.12830	11.6
245.04311	1.4
253.21678	22.0
254.22021	2.1
277.21561	0.8
363.12109	2.7
395.14755	1.9
437.15598	4.4
455.16861	9.9
456.17538	0.8
487.19473	85.2
488.19907	9.4
682.63586	0.7
691.38098	8.2
692.38361	1.8
723.40833	61.6
724.41113	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92052	0.1
59.01251	0.2
61.98702	100.0
62.98411	0.2
71.01260	0.2
72.21638	0.1
79.78246	0.1
98.19803	0.1
101.02300	0.1
105.85650	0.1
172.80789	0.1
208.70972	0.1
220.39163	0.1
255.23143	0.1
256.23706	0.1
257.23993	0.1
397.13611	0.1
398.14005	0.1
399.14127	0.2
400.14365	0.1
417.14850	0.1
426.67398	0.1
447.52151	0.1
507.39981	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
61.98701	10.1
69.03324	1.3
71.53742	2.1
75.03857	1.1
78.95763	1.6
157.04692	1.2
304.20624	1.2
304.57437	1.5
409.47714	1.5
438.09784	2.0
441.15796	1.5
453.11539	2.0
457.19214	1.5
459.16550	2.8
467.13565	1.4
481.11652	4.2
495.16898	1.8
496.13748	15.4
497.14612	8.4
498.15085	2.6
510.15540	5.0
511.16257	8.4
512.16693	2.1
513.17499	4.3
539.19666	3.0
544.16132	4.6
545.16675	1.5
567.18976	8.4
568.18842	2.2
570.17572	1.9
571.18207	13.8
572.18835	3.3
589.18970	1.5
597.20135	2.3
598.20905	2.1
599.21552	33.7
600.21686	7.6
602.16528	2.7
630.19885	2.8
631.19666	1.8
657.22095	17.2
658.21942	6.2
702.26471	1.5
717.24182	76.9
718.24573	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18330	0.5
59.01249	3.1
60.99178	15.7
61.98712	2.7
70.68028	1.3
71.01244	1.4
72.99178	0.5
75.00740	1.6
78.95772	0.9
78.96642	0.5
85.02832	1.9
88.98679	100.0
89.02341	1.3
89.99020	1.1
101.02306	0.7
112.40357	0.5
113.02342	1.2
191.05589	0.9
209.11797	0.9
235.08174	1.0
253.09279	1.8
257.29846	0.5
277.21671	1.6
293.21161	4.2
299.18585	1.6
309.20865	0.6
397.13461	1.7
415.14774	0.6
574.69476	0.5
631.38452	5.6
632.38873	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18330	0.5
59.01249	3.1
60.99178	15.7
61.98712	2.7
70.68028	1.3
71.01244	1.4
72.99178	0.5
75.00740	1.6
78.95772	0.9
78.96642	0.5
85.02832	1.9
88.98679	100.0
89.02341	1.3
89.99020	1.1
101.02306	0.7
112.40357	0.5
113.02342	1.2
191.05589	0.9
209.11797	0.9
235.08174	1.0
253.09279	1.8
257.29846	0.5
277.21671	1.6
293.21161	4.2
299.18585	1.6
309.20865	0.6
397.13461	1.7
415.14774	0.6
574.69476	0.5
631.38452	5.6
632.38873	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45767	0.1
55.83537	0.2
59.01253	0.7
61.65095	0.1
61.98713	0.6
63.02262	0.8
65.00204	0.5
69.03343	0.5
71.01261	0.4
71.54227	0.2
72.93816	0.2
73.02847	0.3
74.46993	0.1
74.75481	0.2
79.95625	0.3
83.01255	0.9
87.87961	0.2
89.02332	0.4
93.03336	0.3
96.95888	1.8
99.00753	0.2
101.02337	0.3
103.52265	0.2
107.01284	2.1
108.02060	0.5
113.02375	0.2
114.14310	0.2
116.92730	0.2
118.97969	0.2
123.00736	0.2
123.08017	0.2
124.01590	0.8
125.02366	0.2
135.00754	0.4
136.01573	0.2
140.18724	0.2
148.01604	0.7
149.99496	0.4
151.00279	5.7
159.04483	0.1
163.00270	0.9
164.01067	1.6
169.01349	0.7
170.81647	0.2
171.10233	0.2
180.04887	0.2
183.04477	0.2
184.05103	0.4
185.00897	0.3
187.07358	0.2
191.05566	1.5
192.00458	0.3
199.03926	0.4
200.04704	0.6
202.02681	0.3
209.11827	0.4
211.04053	0.3
215.03510	0.4
216.04068	0.5
226.02603	0.3
227.03450	1.1
228.04149	0.6
229.01411	0.3
241.00082	0.2
242.02213	0.3
243.02963	2.4
243.06686	0.3
244.03615	0.6
247.76357	0.2
255.02965	1.3
256.03644	0.2
257.04449	0.3
267.76749	0.2
268.03842	0.2
270.01862	0.2
270.99756	0.3
271.02481	3.3
271.05350	0.1
272.03214	1.1
283.02463	0.9
284.03262	0.2
285.03989	0.5
287.05447	0.2
299.01935	1.4
299.05630	0.6
299.18591	0.2
300.02747	35.7
301.03116	3.0
311.05634	0.4
313.03595	0.7
314.04297	1.4
315.05099	100.0
316.05435	9.3
316.08286	0.1
325.20157	1.2
327.05029	0.8
339.05060	0.3
357.06259	1.5
407.10205	0.8
410.06152	0.2
415.14688	0.5
427.93115	0.2
446.55914	0.2
559.12372	0.3
603.21558	0.2
629.43304	0.2
641.47437	0.2
643.20227	5.9
644.20630	1.2
723.15900	9.5
724.16437	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.4
61.98701	100.0
62.98406	0.2
62.99129	0.1
71.01270	0.2
73.02810	0.1
89.02337	0.1
89.52457	0.0
98.20642	0.1
101.02345	0.1
161.04541	0.0
209.11945	0.1
251.25183	0.0
255.23375	0.1
256.23688	0.2
257.24057	0.1
371.08148	0.0
397.13559	0.1
398.13873	0.1
399.14020	0.2
400.14557	0.1
417.15240	0.1
442.39771	0.0
526.86420	0.1
717.24164	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	10.0
61.98702	69.5
69.03324	5.6
71.01250	5.8
71.53249	2.1
73.02820	2.0
83.04885	5.5
85.02836	2.9
86.93340	1.5
89.02300	3.5
91.98087	1.6
97.02790	1.8
99.00756	1.9
101.02309	5.8
113.02404	1.7
119.03341	1.7
125.09627	2.3
127.11087	1.8
132.60194	1.5
133.02802	2.1
135.04379	3.5
137.09599	1.3
139.11156	2.0
143.07062	1.6
161.02322	4.4
161.04446	2.2
163.11157	3.0
165.12752	2.5
171.10149	4.7
172.10489	1.9
179.03397	3.5
185.00838	1.7
191.05626	7.3
199.09636	2.4
199.75023	1.4
201.09344	2.4
201.11241	45.3
202.11589	3.0
203.01999	2.2
207.10149	2.2
209.11768	100.0
210.12003	6.8
211.13277	4.9
225.11282	5.6
226.11681	1.5
227.12894	12.0
235.08189	2.9
249.18570	64.7
250.18987	9.9
251.19144	1.5
253.09244	19.6
283.13559	2.0
295.22443	2.2
320.48041	1.5
406.31317	1.6
430.91507	1.6
437.20169	3.0
445.20541	1.7
475.16196	1.6
508.64984	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.0
58.00470	1.0
59.01247	12.7
61.98698	6.3
69.46617	7.1
69.88319	0.8
71.01248	9.1
73.02809	1.6
78.95805	1.4
83.01250	1.6
83.04883	8.2
85.02837	2.7
87.00729	1.9
89.02312	3.3
97.02850	1.0
97.06479	4.1
99.00795	1.4
99.08055	1.4
101.02335	5.3
108.23124	1.0
109.06492	2.7
113.02300	2.3
119.03337	1.5
119.33308	0.9
135.08026	2.7
137.06017	1.6
137.09630	1.0
153.62381	1.0
155.07034	7.3
161.04453	1.5
171.10190	6.2
173.08101	4.3
181.08626	37.6
182.08974	1.3
191.05562	6.5
199.09711	3.5
199.13324	1.9
207.10182	2.2
225.11259	5.3
226.11632	1.1
235.08157	4.4
249.18571	1.7
250.18999	1.7
251.20163	7.1
253.09248	14.6
255.23198	2.8
271.46295	1.0
277.21710	100.0
278.22095	11.3
302.65701	0.8
304.18176	1.0
343.51224	0.9
397.13440	4.2
461.20682	1.0
591.32745	1.2
713.40594	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96411	2.2
59.01239	10.7
61.98690	10.1
63.58609	2.7
69.03318	4.2
69.27576	25.6
71.01246	6.7
78.95786	2.6
79.02022	2.4
80.28355	2.2
80.81436	2.4
81.03351	2.5
83.04894	7.0
84.69651	2.3
85.02811	6.7
87.00788	2.5
93.03338	8.4
96.51485	2.2
96.95902	18.7
101.02318	3.7
135.04323	3.7
137.02370	12.1
151.00400	2.5
161.02324	5.8
161.04538	3.8
171.10176	3.0
179.03479	2.9
181.08627	53.8
182.09023	3.1
183.28778	2.3
191.05484	20.5
199.09744	10.9
209.11763	100.0
210.12115	6.9
227.12810	20.0
235.08215	4.1
253.09216	13.4
291.13464	2.8
335.84634	2.6
445.20737	13.4
446.06711	2.8
713.31848	29.8
714.32776	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.6
57.60362	1.4
59.01251	11.2
61.98429	2.2
61.98706	33.6
63.99134	3.2
69.03319	4.9
71.01249	8.3
72.99173	2.6
78.95765	3.0
83.01255	1.9
83.04881	2.8
85.02827	3.0
87.00734	3.4
89.02311	2.3
95.04919	2.0
96.95885	2.5
97.02820	3.1
97.06469	3.9
98.19749	3.5
101.02318	6.0
109.02785	1.8
111.07989	1.7
113.02332	2.8
116.92712	1.7
119.65096	1.9
121.06494	1.6
123.08053	11.7
125.09606	2.0
133.02808	1.9
135.04448	2.2
141.01851	1.7
141.09111	23.2
142.09465	1.7
149.09637	1.8
151.11226	3.6
157.39943	1.8
159.34346	1.7
161.04454	2.5
167.10658	3.8
169.12262	15.6
171.10146	4.4
177.13002	1.6
178.55251	1.8
179.03403	3.5
185.11754	39.9
186.12105	2.2
191.05502	5.6
197.11760	12.4
207.13924	1.5
209.11803	17.8
210.12085	6.7
211.12386	2.4
213.11301	4.2
227.12817	3.7
228.13152	3.1
229.14383	2.1
235.08205	2.1
245.25136	1.7
253.09326	8.5
265.18060	9.0
266.18390	3.0
271.02341	1.7
291.19684	3.2
309.20639	6.3
465.19586	2.0
630.98615	1.8
713.37512	100.0
714.37964	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26714	0.1
55.45943	0.1
55.46242	0.1
58.07724	0.1
59.01249	0.9
61.98701	100.0
62.98411	0.2
69.03326	0.1
71.01253	0.3
81.03297	0.1
83.04916	0.2
89.02322	0.2
92.59930	0.1
95.35395	0.1
97.16950	0.1
101.02345	0.2
143.07091	0.2
163.11189	0.1
167.10591	0.1
170.69913	0.1
181.08623	0.8
182.08940	0.4
183.10225	0.2
199.09731	0.2
209.11751	2.5
210.12109	0.9
211.13426	0.2
227.12956	0.5
235.16914	0.1
247.17075	0.2
251.20062	0.1
252.20477	0.2
253.09248	0.8
254.09602	0.2
265.17902	0.5
266.18536	0.2
275.20197	0.1
293.21246	0.7
294.21591	0.5
310.21329	0.1
399.13815	0.2
521.75049	0.1
712.38751	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56069	1.3
57.03289	1.2
59.01246	5.7
67.01769	1.8
69.03317	2.0
69.29155	13.3
71.01241	8.6
72.99192	3.2
73.02834	2.2
73.82921	1.2
75.00750	3.2
83.01255	7.6
85.02813	4.1
87.00761	12.3
87.04393	2.7
93.03382	1.6
95.19254	1.3
96.95872	2.4
99.00777	4.8
100.01537	5.9
109.02819	8.7
111.00764	22.1
113.99471	2.3
115.00253	17.5
127.00227	1.6
127.28882	1.3
128.01062	4.8
133.02811	3.1
134.03712	1.7
135.04437	6.4
137.02344	2.5
139.00285	15.8
145.02846	4.7
146.03600	4.8
147.04387	4.1
148.05269	1.6
149.02286	2.5
149.05994	4.3
150.03076	1.6
155.10693	11.5
156.00551	34.9
157.01343	24.7
159.04453	4.1
161.02339	9.7
162.03120	4.0
163.03882	5.3
171.04422	2.9
173.02365	6.4
174.01610	14.3
174.03146	20.8
175.02388	20.4
175.03918	9.9
177.01839	6.1
187.00281	1.4
187.03979	9.1
188.01070	17.0
188.04681	4.3
189.01884	35.7
189.05493	2.6
190.02647	77.6
191.03470	6.8
191.05569	4.9
193.04987	20.5
199.09683	14.1
201.01854	11.6
201.05449	1.7
203.03416	9.6
205.05125	3.2
207.06540	9.2
213.01936	2.3
214.02721	1.6
215.03372	8.9
216.04205	5.5
218.02193	1.9
219.02914	3.6
219.06598	3.4
221.04593	1.6
223.05975	1.5
227.03470	1.8
231.02901	4.4
231.06552	1.4
233.04509	16.7
234.05223	5.5
235.06062	6.2
235.96840	1.5
237.03905	3.6
241.10805	3.8
243.03026	2.0
244.03334	1.7
245.04558	3.7
247.06113	14.9
251.05598	6.2
255.03029	2.1
257.04550	5.0
259.02472	4.3
259.06058	2.6
261.04059	6.0
262.04636	1.6
263.05600	46.7
264.06052	3.4
273.04074	5.1
274.04697	1.5
275.05615	5.4
277.07181	1.4
283.11993	7.5
287.05710	2.1
289.07169	23.3
290.07437	1.9
291.05093	100.0
292.05475	9.6
301.03259	1.5
302.04324	3.6
305.06607	14.3
307.08231	12.9
309.06161	9.0
315.05188	2.9
319.04477	7.9
333.06339	8.1
337.05722	10.8
343.13907	10.4
351.07199	63.2
352.07434	5.5
369.08185	5.7
537.19781	2.6
561.19641	3.2
581.18958	2.8
591.21100	1.6
595.20087	4.3
613.21338	3.3
633.21808	3.7
635.19629	5.2
647.19232	1.9
653.20941	14.7
654.21075	1.7
659.19879	2.2
663.19006	3.4
677.20721	10.5
681.20795	2.8
695.21906	27.9
696.21716	3.7
713.23114	25.2
714.23486	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.0
57.03313	0.9
59.00999	0.8
59.01252	10.0
59.75494	0.6
61.98698	6.0
63.77694	0.7
69.03311	2.2
70.96513	2.0
71.01247	9.3
71.04880	1.2
73.02824	1.7
78.95728	1.0
80.17372	0.7
80.25610	0.7
81.03322	0.9
81.25344	0.7
81.81837	0.7
83.01237	1.4
83.04900	0.7
85.02799	2.4
87.00736	1.7
89.02320	2.8
90.09693	0.7
93.03310	1.2
95.04911	4.5
97.02802	2.1
97.06462	11.6
99.00757	37.1
99.08059	1.5
100.01084	0.9
101.02337	5.0
110.03651	0.7
113.02325	2.6
114.41875	0.7
117.06972	2.0
123.04398	2.7
125.05962	2.7
125.09663	1.3
133.06459	1.8
135.08055	8.2
142.02567	1.9
143.07066	3.5
153.09119	22.1
154.09415	1.6
161.04489	1.6
171.10167	13.2
179.06990	5.0
185.11801	0.8
185.36754	0.8
191.05508	1.6
197.06305	1.7
197.08116	25.6
198.08383	1.8
199.13454	1.2
201.11223	1.0
209.11774	1.0
215.09190	5.3
225.11284	1.4
235.08170	3.2
237.60985	0.7
249.18648	1.7
251.20177	1.7
253.09294	6.4
277.21725	77.1
278.22064	9.6
295.22403	0.8
365.12079	0.8
415.15903	1.3
417.22244	1.0
433.17178	2.9
451.17651	1.1
659.17572	0.8
693.38568	3.0
711.39563	100.0
712.39838	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.6
57.66205	0.2
59.01250	4.7
61.98697	2.6
69.03313	0.7
71.01252	3.0
71.19078	0.5
73.02827	0.4
73.63476	0.2
78.95790	0.2
80.02544	1.0
81.03316	1.2
83.01248	0.5
83.04895	4.7
83.29770	0.2
84.02039	0.5
84.05225	0.3
85.02821	0.8
87.00760	0.7
89.02320	2.1
92.93605	0.2
93.03360	0.4
95.01287	0.2
95.04904	0.8
96.95905	0.2
97.06466	0.3
99.00761	0.3
101.02326	2.6
103.13964	0.2
109.06482	0.5
111.08039	0.5
113.02348	1.3
118.51209	0.2
119.03391	0.7
123.08003	0.2
125.05968	0.6
126.12573	0.2
128.05887	0.2
135.08041	0.6
137.09619	0.2
139.07436	0.2
143.03419	0.3
149.09615	0.7
151.11179	0.5
155.10670	0.3
161.04483	1.1
163.11203	3.1
164.11467	0.3
165.12776	1.9
167.10686	5.5
168.11006	0.3
169.11867	0.2
171.10306	0.2
177.09172	0.2
179.05537	0.4
181.08662	0.8
181.12273	0.5
183.10213	0.6
185.11794	0.3
191.05594	0.3
191.10706	1.1
195.10170	1.3
197.11829	0.4
199.09680	0.6
199.13322	0.3
203.18011	0.7
207.10136	0.3
207.13701	0.2
209.11768	100.0
210.12109	7.2
211.13326	0.8
221.10477	0.2
225.11156	0.5
227.12840	11.2
228.10028	0.4
228.13249	0.6
228.18184	0.2
235.08163	2.9
247.17012	2.6
253.09265	9.5
254.09634	0.4
265.18073	38.9
266.18393	3.6
275.20175	0.6
291.19827	0.3
293.21118	0.9
294.21716	0.2
295.22891	0.2
297.34467	0.2
298.51450	0.2
309.20728	0.2
319.44696	0.2
405.90814	0.2
445.20724	1.4
463.21735	0.4
465.19305	0.2
501.26840	0.3
642.33026	0.4
711.38879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21640	0.6
52.85186	0.6
56.04514	0.6
56.74883	0.7
57.03339	1.0
57.70085	0.7
58.44768	0.7
59.01245	11.7
61.98703	4.2
69.03294	1.0
70.86720	1.7
71.01254	10.1
71.04892	2.0
72.99204	1.0
73.02820	1.8
78.95790	0.9
83.01234	1.1
83.04879	1.5
84.02571	0.7
85.02834	2.4
87.00713	0.8
88.29338	0.7
89.02317	4.7
93.03332	0.7
95.04873	1.1
97.02843	4.1
97.06451	2.0
99.00759	13.4
101.02309	4.9
109.06458	2.2
113.02321	2.8
119.03407	1.5
123.08037	0.8
125.09641	5.7
127.11156	1.4
128.51796	0.8
135.08076	1.1
142.02640	1.3
143.07033	1.2
150.33844	0.7
163.11171	9.3
171.10191	10.1
179.05536	1.3
179.07018	1.3
181.12270	14.6
191.05534	2.4
197.08148	1.4
197.11745	2.1
199.13341	23.2
200.13681	1.4
201.11201	2.3
207.10201	29.8
208.10548	2.6
209.11789	2.6
211.13306	1.5
225.11270	61.4
226.11682	5.2
235.07986	1.0
243.12363	14.0
244.12622	1.0
249.18562	34.4
250.18929	3.4
253.09309	6.0
277.21707	13.0
278.22141	0.9
293.21109	0.8
304.60147	0.9
327.55969	0.7
429.00604	0.8
443.19214	1.2
461.20230	12.0
462.20770	1.6
479.21222	3.2
531.45459	0.9
672.25488	0.9
693.38812	4.7
694.38885	1.4
711.39612	100.0
712.39868	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16233	0.4
58.41766	0.4
59.46335	0.4
63.02245	0.4
65.00182	0.7
69.61680	2.6
76.44441	0.4
96.28348	0.5
96.95862	1.0
98.19782	0.5
107.01254	0.9
108.02042	0.5
114.24641	0.4
135.00748	0.8
144.62469	0.4
148.01547	0.6
151.00244	1.6
163.00253	1.2
164.01106	0.8
164.77553	0.4
183.49686	0.4
193.62387	0.4
199.03897	0.9
216.04152	0.9
226.02493	0.6
227.03458	1.4
228.04189	0.6
243.02966	8.2
244.03633	2.1
254.02271	1.2
255.02953	15.7
256.03381	1.8
259.06061	1.1
271.02463	33.0
271.30649	0.4
272.03015	5.8
287.05533	1.7
299.01987	0.8
300.02731	44.6
301.03104	4.7
315.05096	100.0
316.05377	10.5
395.00751	60.7
395.06073	1.1
396.01053	7.3
396.23557	0.4
400.98248	0.4
424.39056	0.5
527.27802	0.6
631.17090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00547	0.7
57.03303	1.0
58.00459	0.8
59.01247	16.2
61.98706	8.8
71.01250	12.9
72.99153	1.3
73.02812	1.6
78.90365	0.8
83.01235	1.7
83.04885	1.9
85.02802	4.3
87.00755	2.1
89.02316	8.9
93.03340	1.4
95.01264	1.2
95.04899	1.6
97.02826	2.8
97.06445	1.0
99.00776	1.4
101.02309	8.9
109.06451	2.9
110.03608	1.1
111.04430	1.6
113.02318	5.0
113.09560	1.0
119.03360	3.1
125.02318	1.5
125.09608	1.9
127.11179	1.6
135.08087	1.3
135.22905	0.7
136.65424	0.8
143.03394	1.5
143.59964	0.8
160.07326	0.7
161.04445	3.4
161.09572	0.8
163.07512	0.9
163.11183	5.4
168.21185	0.7
171.10173	100.0
172.10504	4.5
179.05544	2.7
181.08589	5.1
181.12207	1.5
183.10178	6.2
185.11801	0.9
189.09074	1.7
191.05554	7.4
197.11781	3.4
201.11205	3.7
207.10191	12.0
209.11826	4.9
211.13370	3.4
225.11269	45.8
226.11584	2.9
227.12721	1.5
235.08173	4.6
243.12326	2.8
247.16972	0.8
249.18553	60.8
250.18909	5.1
253.09239	13.2
253.21687	15.6
254.21976	0.9
265.18082	1.4
277.21667	0.9
291.19580	1.2
293.21179	7.8
300.60712	0.9
309.20645	2.5
397.13562	16.0
398.13788	2.3
407.19064	3.7
415.14499	6.3
443.19171	2.1
461.20328	9.8
462.20746	1.4
540.55890	0.8
651.36340	1.0
693.38147	3.2
711.38812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18101	0.6
55.01749	0.9
57.03323	1.0
59.01252	31.8
61.98707	18.5
69.03308	0.9
71.01247	6.8
71.04887	1.0
71.53475	0.9
73.02820	1.4
78.95758	1.0
80.02527	1.6
80.65833	0.8
81.03326	1.7
83.01241	2.1
83.04896	21.0
84.02071	1.6
85.02805	1.5
87.00774	1.0
87.11752	0.7
89.02317	5.2
89.75719	0.6
92.52940	0.7
95.01261	0.7
97.02828	1.0
97.06467	1.3
101.02323	7.0
109.06477	4.3
111.08034	0.7
113.02325	2.8
119.03402	1.3
121.10121	1.5
125.02230	0.7
135.08054	7.0
137.09610	2.9
161.04443	2.2
163.07503	1.5
167.10686	0.8
171.10176	5.1
179.05486	1.3
181.08627	93.2
182.08969	4.7
183.10210	6.3
183.13776	1.0
195.13840	8.0
197.11739	2.6
199.09729	9.1
199.13322	0.8
200.10072	0.8
205.12305	1.1
207.10326	1.1
209.11769	13.2
210.12227	1.6
211.13426	6.9
212.13591	0.7
223.13335	5.9
225.11334	1.4
227.12840	3.7
235.08183	2.5
235.16969	3.4
238.60432	0.8
253.09280	28.2
254.09547	1.8
256.13187	1.2
263.16571	0.8
265.18054	3.3
275.17096	1.0
275.20148	19.0
276.20471	2.3
281.17703	1.4
291.19681	1.0
293.21222	100.0
294.21564	9.2
309.20737	2.9
367.26398	2.0
475.30264	1.1
711.38037	1.7
737.51630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.0
57.03326	2.8
59.01250	9.8
61.98701	2.3
69.03324	2.3
71.01246	6.1
71.04899	1.9
72.99173	1.7
73.02815	1.4
78.95778	0.8
81.03305	0.4
83.01258	0.8
83.04890	1.0
85.02822	1.7
87.00747	1.4
89.02318	2.8
93.03339	1.0
93.27674	0.5
95.04906	6.7
97.02831	0.9
97.06470	9.1
99.00746	0.6
99.04399	0.7
101.02301	4.1
109.06482	1.0
111.04380	0.6
113.01581	0.4
113.02335	2.3
119.03445	0.4
121.06451	1.1
123.08047	20.4
124.08388	0.6
125.02332	0.6
125.09618	2.2
133.06483	4.9
141.09123	0.6
151.07555	11.7
161.04477	0.9
169.08617	30.4
170.08960	1.2
177.05490	1.7
178.07704	0.4
179.05664	0.5
195.06554	3.9
195.10242	1.7
207.10153	0.6
211.04176	0.5
213.07645	1.5
235.08189	1.0
249.18546	1.2
253.09261	4.6
259.20590	0.6
275.20129	0.8
277.21722	63.5
278.22015	5.6
293.21399	0.6
449.16782	1.3
709.38025	100.0
710.38312	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.8
61.98698	1.4
63.96101	2.2
69.03317	1.2
71.01246	9.4
73.02814	2.4
78.98460	7.0
79.95605	12.0
80.96389	81.7
81.03359	0.8
85.02822	2.9
87.00745	2.4
91.85339	0.6
94.97375	1.3
94.97961	16.5
96.95859	1.3
97.02830	2.4
99.00761	1.0
101.02327	2.8
106.97960	3.0
122.97456	3.6
123.63009	0.6
125.02338	2.9
127.03835	1.1
134.97446	4.8
136.99013	1.2
148.99045	5.4
152.98526	6.4
164.98520	11.9
167.00095	0.9
171.10194	3.2
206.99605	2.2
225.00699	17.1
229.25638	1.0
241.16054	0.7
252.73370	0.7
255.23302	1.9
266.96359	0.7
279.23331	1.1
341.53403	0.8
356.63770	0.7
453.14200	1.5
537.27179	2.0
618.97113	0.7
709.38342	100.0
710.38757	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44530	0.1
59.01246	0.5
61.98701	100.0
62.98415	0.2
62.99144	0.1
71.01274	0.1
80.52222	0.1
89.02323	0.1
101.02355	0.1
101.49334	0.1
110.50744	0.1
181.08629	0.2
197.11778	0.1
199.13509	0.1
209.11876	0.1
227.13028	0.1
249.18723	0.1
250.18965	0.1
263.74304	0.1
309.20895	0.1
397.13406	0.1
398.14011	0.1
399.14206	0.2
400.14185	0.1
558.75031	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.3
61.98700	100.0
62.98396	0.2
71.01253	0.3
78.95786	0.2
83.04903	0.3
89.02327	0.3
94.95339	0.1
95.95702	0.1
95.97358	0.1
96.95863	0.1
97.02843	0.2
101.02334	0.3
109.06481	0.1
145.15979	0.1
152.99559	0.1
161.04500	0.1
163.11240	0.3
167.10672	0.2
171.10159	0.2
179.05643	0.1
179.07100	0.2
181.08672	0.3
183.10146	0.1
191.05501	0.2
197.11781	0.1
199.09706	0.2
199.13452	0.2
207.10254	0.4
207.13852	0.3
208.10632	0.3
209.11758	3.2
210.12212	0.1
211.13365	0.3
225.11186	0.7
225.69949	0.1
226.11610	0.3
227.12856	0.7
229.15587	0.1
235.08229	0.2
247.16991	0.4
249.18468	0.1
250.19043	0.2
253.09271	0.5
265.18069	1.0
266.18594	0.1
275.20255	0.1
291.19528	0.1
293.21347	0.6
309.20813	0.1
355.65118	0.1
398.14136	0.1
399.13947	0.1
461.20517	0.2
462.20914	0.1
561.35419	0.1
710.38745	0.2
711.38275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97498	1.5
59.01229	2.8
66.20319	1.5
69.03316	1.3
78.51688	1.4
85.02808	9.5
87.00750	3.3
92.42554	1.4
93.03334	14.5
96.95889	6.3
105.03328	3.2
109.02826	3.5
111.04401	3.2
127.03885	3.1
133.02843	29.9
135.04410	15.4
158.76889	1.5
160.01546	1.6
161.02281	6.7
161.67883	1.6
162.03140	3.6
173.04433	5.5
177.01872	9.9
177.05565	1.5
178.02547	1.9
179.03419	9.3
180.04184	7.5
186.06259	1.6
188.79292	1.4
191.05534	100.0
192.05885	3.8
193.04932	3.3
195.06558	10.9
215.05545	4.4
293.21091	1.8
299.44269	1.3
308.42960	1.6
323.07837	2.7
351.07269	16.2
357.11987	1.7
499.12427	3.1
500.12509	1.5
517.13611	12.6
518.13770	2.8
520.24628	1.9
547.14771	4.2
691.17725	1.8
698.58203	1.7
709.19586	23.3
710.20129	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.7
55.06203	0.4
57.03319	1.3
58.00484	0.4
59.01248	17.6
60.01579	0.8
61.98703	3.2
69.03323	4.3
69.62370	1.6
69.62800	1.4
71.01257	5.8
71.04897	2.9
72.99168	0.6
73.02824	1.3
81.03370	0.5
83.01277	0.8
83.04897	0.8
85.02843	1.6
87.00749	1.2
89.02318	2.7
95.01250	0.5
95.04881	0.7
97.06457	1.2
99.00811	0.5
101.02330	4.3
111.08002	0.7
113.02331	1.6
119.03398	1.2
123.08039	1.2
125.09635	2.2
132.08943	0.4
133.06441	0.5
137.09595	0.6
141.36589	0.4
143.03360	0.5
151.11197	2.5
153.11739	0.4
153.12724	2.3
161.04468	1.5
161.09644	3.7
169.12222	1.0
179.10687	7.2
180.11009	0.7
181.08545	0.8
195.06511	0.6
197.11760	93.7
198.12086	5.1
207.10191	0.8
209.11909	0.6
213.11310	0.6
223.09666	1.9
235.08267	0.6
241.10767	4.4
243.02950	0.5
249.18568	23.7
250.18900	1.9
253.09277	3.2
277.21634	2.5
293.21103	0.5
342.07745	0.6
396.80334	0.4
459.18573	1.5
477.19678	3.3
478.20157	0.6
547.32861	0.6
679.30133	0.6
709.37994	100.0
710.38312	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01590	1.3
61.98703	1.8
71.01271	0.6
71.53683	0.5
74.28998	0.4
78.95780	1.1
79.21823	0.4
83.04896	0.5
83.84972	0.4
93.03382	0.5
109.06492	0.4
111.08033	0.6
150.06818	0.7
152.99527	0.4
157.53404	0.4
181.08778	0.5
191.05566	1.1
221.11938	1.2
239.12917	0.5
249.18745	0.4
277.21704	0.5
318.19199	0.4
342.22101	0.6
405.28122	0.5
550.33551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78241	0.3
53.19911	0.4
59.01251	100.0
60.01603	1.0
61.98709	2.3
71.01265	0.5
78.95778	0.9
85.02833	0.4
138.77220	0.4
141.07935	0.4
150.06804	0.3
152.99529	0.8
191.05386	0.6
191.21536	0.4
195.10295	0.4
197.11815	0.7
207.33383	0.4
209.11821	1.2
229.21625	0.4
253.09334	0.7
278.43445	0.4
291.19757	0.9
293.21210	0.6
340.09460	0.4
455.16904	0.7
466.60910	0.4
506.70599	0.4
701.56287	0.4
707.38220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.8
61.98702	100.0
62.98400	0.1
69.03324	0.1
71.01265	0.6
72.99178	0.1
73.02814	0.2
75.00659	0.1
85.02831	0.3
87.00708	0.1
89.02326	0.2
96.95909	0.4
98.20552	0.2
99.00824	0.2
101.02342	0.3
113.02361	0.2
153.01741	0.1
161.04495	0.1
191.05524	0.3
209.11789	0.2
410.30908	0.1
476.15125	0.1
505.34564	0.1
513.98077	0.1
526.14124	0.1
649.37476	0.8
667.39172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.0
57.03333	1.1
58.00446	1.2
59.01249	23.9
61.98703	13.5
67.01768	0.8
69.03318	4.2
71.01255	18.5
71.53706	1.2
71.77773	0.6
72.99174	3.1
73.02821	4.1
78.95773	0.8
81.03342	1.4
82.23740	0.7
83.01246	2.2
83.04893	2.8
85.02442	0.7
85.02829	8.6
87.00742	4.4
89.02311	18.5
93.03329	5.0
95.01251	1.0
96.95882	5.7
97.02841	4.7
97.06456	1.2
99.00731	2.2
101.01709	1.0
101.02326	12.7
108.71831	0.6
109.02816	0.9
109.06509	1.1
111.04423	1.5
111.08044	10.8
113.02334	6.9
119.03395	5.9
125.02347	4.1
125.09632	1.0
127.03950	1.3
127.07537	1.3
131.03352	0.9
133.02762	0.8
134.03619	2.5
135.04440	4.0
137.02299	1.1
137.09599	1.2
143.03397	2.0
149.04448	1.1
151.07603	1.0
151.11182	1.4
153.12756	1.2
159.04390	0.9
161.02214	0.8
161.04440	3.7
169.08611	1.3
169.12271	4.8
171.10201	5.3
171.92030	0.7
173.04460	3.7
173.05896	1.0
178.02602	0.9
179.03471	1.1
179.05531	3.7
181.08611	2.1
181.12260	1.3
185.11780	1.1
187.04045	1.2
187.07527	4.5
191.05533	35.0
192.05840	3.6
197.11760	47.6
198.12129	3.4
199.13297	2.4
209.11777	7.3
209.15506	0.8
210.12050	1.3
211.13429	5.9
213.09079	0.9
215.07048	1.8
221.06572	0.9
223.17038	0.8
225.11308	0.9
227.03343	0.9
227.13010	0.8
231.10217	2.7
235.08136	4.5
251.16429	1.4
253.09181	3.2
257.08121	2.6
263.20056	2.7
265.18054	1.5
273.18933	0.8
275.09268	8.0
291.19678	14.3
292.20074	1.4
309.20694	100.0
310.21066	8.5
336.02759	1.9
397.13467	17.8
398.13593	1.7
415.14560	33.3
416.14786	1.7
449.14603	5.5
459.28656	0.9
507.12778	0.9
512.62378	0.7
515.17639	0.8
525.13892	3.8
625.28961	1.2
689.20898	1.1
707.23260	1.8
707.34729	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48681	0.3
54.49906	0.4
57.03316	1.6
58.00451	0.4
59.01250	24.6
61.98708	0.5
69.03324	7.9
71.01257	5.9
71.04878	1.1
72.99161	0.5
73.02822	1.1
78.95770	1.4
81.03347	0.5
83.01246	0.8
83.04906	1.2
84.04689	0.4
85.02838	1.3
85.06452	0.6
87.00753	1.4
89.02304	5.1
93.03331	1.3
95.01255	0.6
95.04919	0.9
95.23154	0.4
97.06473	1.1
98.19759	0.9
99.00797	0.4
101.02322	5.3
109.06462	0.9
111.08046	0.4
113.02340	2.8
119.03413	0.8
121.06462	0.8
125.05984	0.6
133.10149	0.6
143.03371	0.9
144.18237	0.4
145.04985	0.9
147.08031	0.4
149.09625	1.9
151.11218	3.9
152.99484	0.6
159.08081	1.3
161.04482	2.3
161.13235	0.5
167.10678	12.2
168.11034	0.6
171.10181	0.9
176.08357	0.8
177.09120	16.3
177.12704	0.6
178.09529	0.7
179.05559	1.2
179.10736	0.8
179.14336	3.5
191.05484	0.8
193.09193	0.4
195.10194	44.5
195.13828	14.8
196.10553	2.6
196.14285	1.0
197.11699	0.7
203.17969	0.6
205.12263	8.7
206.12471	0.5
221.11746	0.9
223.13336	100.0
224.13676	6.0
228.13676	0.5
229.19429	0.5
235.08194	4.3
247.17010	3.5
253.09258	23.4
254.09666	1.1
256.13257	0.5
265.18063	52.6
266.18402	3.7
275.20108	5.4
276.20465	0.6
293.21210	64.6
294.21555	5.8
345.67868	0.5
401.42209	0.5
426.36508	0.4
431.19363	0.9
459.22318	12.1
460.22638	1.4
471.31235	1.1
492.22092	0.4
501.26770	1.1
518.63898	0.4
529.30139	0.8
638.33368	0.6
707.39551	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.2
60.01589	0.5
61.01672	0.2
61.98702	100.0
62.64583	0.2
62.98393	0.2
63.08904	0.1
66.49573	0.1
78.95787	0.2
120.01548	0.1
130.33113	0.2
205.17958	0.2
205.34813	0.2
279.23679	0.2
397.13568	0.2
407.25360	0.1
441.13104	0.2
449.82553	0.2
483.15118	0.9
484.15366	1.1
497.17221	0.2
498.16980	0.3
529.90106	0.2
542.17029	0.2
543.17474	0.3
556.19452	0.4
557.18860	1.4
558.19128	2.9
558.27527	0.2
559.19513	0.2
573.16528	0.2
574.15802	0.3
575.16095	0.7
589.17865	0.4
643.23071	0.4
644.22858	1.8
645.24115	0.2
703.24609	0.3
704.24609	4.7
705.24481	0.5
706.82318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41752	0.2
59.01253	2.1
65.03868	0.4
69.57235	2.1
75.30500	0.2
89.03806	0.3
98.19792	0.4
98.86147	0.3
105.03354	0.4
106.31755	0.3
107.44534	0.3
107.91042	0.2
123.04409	0.4
133.02844	0.7
135.04393	0.4
151.03925	1.5
153.01825	0.5
161.02344	7.3
162.02690	0.4
178.02647	0.5
179.03418	55.7
180.03731	2.8
192.04233	0.5
193.04984	0.9
194.05775	60.5
195.06096	3.0
209.08131	100.0
210.08464	6.0
353.12469	1.8
371.13370	0.9
413.14496	23.9
414.14841	3.0
442.28241	0.3
671.36938	0.3
687.85095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63962	0.8
55.01755	1.9
57.03329	1.2
58.00465	2.3
58.80584	0.9
59.01252	44.8
60.47297	0.9
61.98701	16.7
67.01766	1.1
68.99705	1.1
69.03329	2.0
71.01253	37.1
71.08376	1.7
72.01569	0.8
72.99178	3.6
73.02811	6.0
75.00741	0.8
77.19473	0.8
78.95787	2.6
81.03331	2.0
83.01256	5.3
83.04868	1.1
85.02826	9.1
87.00750	7.5
89.02316	31.0
93.03343	3.8
95.01268	2.1
95.04881	1.9
96.95878	0.9
97.02833	7.5
97.06464	1.0
99.00756	2.2
101.02322	29.6
105.03345	1.6
109.02837	1.1
109.06467	1.5
111.04392	1.0
113.02329	13.9
115.03917	0.8
119.03365	7.3
121.02824	0.9
122.50638	0.7
125.02333	10.7
131.03395	2.0
133.02863	5.9
133.04988	0.9
133.06332	0.7
134.03622	10.0
135.04440	4.8
137.02328	2.6
139.03856	1.1
143.03400	4.5
152.99484	1.1
155.03326	1.0
158.58267	0.8
161.02353	1.3
161.04466	7.8
162.03120	2.8
163.11186	1.2
171.10185	1.8
173.04471	1.6
177.01830	1.7
178.02603	2.2
179.03404	1.8
179.05531	6.1
179.06999	1.6
181.08698	1.1
191.05553	5.9
207.10240	1.2
209.11763	13.9
211.13280	0.9
217.07242	1.4
217.15833	0.9
221.06612	1.2
225.11198	1.6
231.10263	4.6
235.08171	13.6
240.00456	0.9
249.18570	73.0
250.18938	4.9
253.09203	7.1
254.09308	0.8
261.14822	2.1
263.07629	1.4
275.09256	20.9
276.09619	2.0
279.16000	2.6
287.07712	3.3
291.19583	1.0
293.21207	1.2
305.08759	3.7
323.09894	1.5
334.06912	3.4
397.13474	100.0
398.13699	5.5
409.00577	0.8
415.14560	35.1
416.14841	2.5
449.14719	1.2
545.98663	0.9
647.32666	2.3
689.35748	1.1
707.36469	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	23.5
63.28483	0.3
68.46394	0.3
68.99733	0.3
69.03321	0.6
71.01253	2.9
71.43292	0.3
73.02818	0.6
85.02810	0.6
87.00777	0.6
89.02324	1.4
95.04915	1.6
97.06475	3.8
99.08041	1.4
101.02325	2.2
110.35251	0.3
113.02320	1.2
119.03436	0.4
125.05973	38.7
126.06306	1.5
143.07037	87.4
144.07390	2.6
161.04437	0.9
184.66795	0.3
201.11166	0.4
235.08151	3.2
253.09270	8.8
254.09595	0.4
277.21707	100.0
278.22061	8.5
279.23422	0.4
297.98459	0.4
361.14838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15074	0.2
55.01746	0.2
59.01253	17.5
70.40240	0.8
71.01257	1.5
73.46593	0.2
76.25374	0.2
76.31019	0.2
85.02816	0.4
89.02325	1.0
97.06482	0.2
101.02306	1.2
113.02311	1.0
119.03374	0.4
125.09582	0.7
127.11192	1.6
143.06976	0.4
153.09042	0.3
161.04492	0.8
161.05943	0.3
171.10179	100.0
172.10522	4.0
179.05530	0.4
205.90567	0.2
209.11771	0.8
235.08228	1.4
249.18578	42.4
250.18913	3.8
253.09277	5.0
253.21700	0.6
277.21790	0.5
372.66656	0.2
407.19189	2.4
485.27209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
61.98706	2.2
71.33463	0.5
78.16641	0.5
93.29282	0.4
108.20857	0.4
152.99464	0.5
171.10170	1.8
172.10503	0.8
202.61014	0.4
221.11987	0.5
227.99258	0.4
299.37939	0.5
437.12723	1.1
438.13330	3.5
439.13583	1.0
451.13968	0.6
452.14941	1.7
453.15582	0.9
466.12909	0.6
467.13330	1.1
470.12152	0.7
480.14374	0.6
481.15182	30.4
482.15582	8.2
495.16803	11.4
496.16965	2.9
497.18335	5.5
498.18658	1.0
512.64240	0.5
514.14697	2.1
523.15680	0.9
525.13910	0.9
528.16284	0.6
539.15607	2.4
540.16516	8.0
541.17096	1.4
549.80652	0.5
553.16882	0.6
554.17957	2.6
555.18848	52.3
556.19135	12.6
567.19116	0.8
569.20343	0.5
572.15509	14.3
573.15717	3.4
586.17072	5.4
587.17419	1.4
609.20020	1.2
627.20703	0.6
641.22552	24.9
642.22949	6.3
701.24628	56.6
702.24799	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.5
59.35156	0.2
61.98701	100.0
71.44096	0.2
71.53396	0.2
71.53826	0.2
78.95785	0.4
94.19379	0.2
99.76889	0.2
112.63613	0.2
117.30447	0.1
123.41615	0.2
125.05994	0.5
143.07021	1.1
144.07462	0.5
145.07494	0.2
152.99457	0.3
160.56779	0.2
171.10263	0.2
252.20576	0.2
277.21811	0.7
278.21942	1.1
279.22470	0.4
296.43967	0.2
399.30145	0.2
439.94919	0.2
463.94620	0.2
482.49927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88800	0.2
59.01258	0.7
61.98699	100.0
70.29433	0.2
71.53559	0.3
78.95782	0.4
81.51650	0.2
107.30437	0.2
171.10161	2.6
172.10484	1.4
173.10756	0.6
174.10886	0.2
218.34300	0.2
225.11388	0.3
249.18617	0.6
250.18887	0.7
251.19177	0.3
294.34454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26474	0.3
59.00953	0.5
59.01247	7.6
61.98685	0.3
69.03311	0.7
69.34782	3.2
71.01244	1.3
72.99197	0.3
73.02810	0.8
78.95766	0.3
79.95599	2.9
80.96404	1.7
85.02815	0.9
87.00764	0.4
93.03325	0.6
94.97937	0.6
96.95887	100.0
97.02840	0.5
97.95836	0.5
98.95469	1.2
99.00742	0.5
101.02336	1.1
103.00231	3.0
113.02329	0.7
122.97469	0.6
125.02321	0.3
134.97495	2.0
138.96957	0.9
150.97055	0.4
152.98538	6.1
161.46732	0.3
164.98489	0.6
166.96487	0.4
174.34927	0.3
180.98071	0.7
191.05557	2.9
194.99634	1.2
202.99998	0.4
203.01913	0.5
222.99149	1.0
235.89368	0.3
241.00197	47.1
242.00473	1.4
283.01285	14.4
284.01630	1.1
318.94937	0.3
327.00259	5.1
328.00473	0.3
375.27481	6.5
376.27692	0.8
423.10974	0.3
425.08749	0.6
465.12082	0.3
492.04211	0.4
507.12805	1.6
539.15692	1.1
617.28418	16.8
618.28711	2.4
647.22699	0.4
659.29480	12.7
660.29645	2.6
671.20410	0.8
685.27148	0.8
703.28503	27.9
704.29114	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76897	0.9
57.03308	2.4
59.01246	8.7
61.98701	8.1
69.03316	3.9
69.38618	4.2
69.39027	3.0
71.01250	7.1
73.02843	1.6
83.01205	1.1
83.04872	1.5
85.02818	1.7
87.00745	1.5
89.02307	5.1
93.03364	1.0
97.02818	1.5
97.06470	3.8
97.92199	0.8
99.00793	1.3
101.02326	5.4
113.02346	3.1
135.04376	2.2
141.09105	1.6
151.11205	12.8
153.05328	1.0
160.48868	1.0
160.98737	0.8
161.04446	2.3
167.10648	5.9
169.12259	90.9
170.12621	4.7
171.10219	4.6
173.04430	1.2
179.03438	1.3
185.11736	1.5
185.38766	1.0
191.05536	8.0
195.10204	4.3
197.11752	2.3
203.01891	2.0
209.11745	3.7
213.11281	13.4
235.08130	1.9
247.17020	2.3
253.09256	4.2
265.18076	13.6
266.18454	1.6
279.19778	1.4
293.21179	2.2
399.70398	1.1
431.19296	2.2
449.20190	10.1
610.86285	1.1
697.38007	100.0
698.38275	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94160	0.3
59.01250	6.4
59.75011	0.3
62.86544	0.4
69.34393	3.1
69.34814	0.7
71.01247	1.5
72.99181	0.3
73.02857	0.4
79.95607	4.7
80.96391	1.7
85.02825	0.8
87.02229	0.4
95.95125	1.0
96.95889	100.0
101.02326	0.8
103.00256	3.7
103.12405	0.4
125.02328	0.4
134.97469	1.4
138.96982	1.2
150.97015	0.4
151.03906	0.7
152.98534	4.0
161.02359	1.2
164.98604	0.5
179.03419	11.2
180.03683	0.4
180.98027	1.0
194.05780	10.2
194.99712	0.8
209.08144	18.1
210.08450	0.7
222.99120	1.4
241.00204	44.2
242.00583	1.3
276.24521	0.4
283.01303	19.8
284.01569	1.1
327.00314	4.6
337.59436	0.4
371.13419	4.7
413.14401	1.4
451.16336	3.5
519.15491	0.6
553.54370	0.4
613.14392	19.5
614.14532	2.0
655.15417	10.6
655.25916	0.7
656.15857	1.3
681.14069	0.6
699.13733	10.6
700.14728	1.3
725.76636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96444	2.7
59.01238	11.6
61.67885	2.8
71.01233	11.9
71.52991	2.9
73.02782	4.0
73.94850	2.6
79.95624	2.8
83.01254	13.9
87.00751	24.3
93.03319	3.2
96.32770	3.1
96.95895	24.9
99.00768	5.3
101.02306	4.0
109.02834	20.0
111.00768	13.0
113.02279	3.9
115.00266	34.8
131.04916	6.3
133.02831	6.8
134.03653	3.0
135.02866	3.7
135.04416	31.8
137.09592	3.1
139.00241	11.2
143.04904	4.6
145.02919	3.7
147.04431	6.8
149.05984	100.0
150.06306	5.0
155.10643	20.4
156.00551	8.7
156.23154	3.0
157.01352	18.6
159.04378	11.4
161.02327	32.1
161.05975	13.2
163.03891	12.9
165.05457	5.8
171.04399	12.3
173.02367	3.6
173.05988	7.4
174.01611	10.2
174.03114	14.8
175.02365	56.0
175.03911	47.6
176.04611	5.3
177.05467	12.6
179.03464	16.5
187.03922	34.2
188.04596	8.4
189.05496	68.4
190.02606	3.7
190.05740	3.0
191.03461	7.0
191.05263	3.6
193.04987	19.0
199.03854	3.2
199.09630	23.3
200.04688	5.6
201.05482	19.1
202.06207	3.6
203.03450	14.2
203.07040	5.5
204.04173	2.8
205.04968	12.8
207.03065	3.5
207.06541	5.5
213.05504	20.5
215.03444	94.4
216.03871	5.4
219.02943	12.3
219.06563	4.6
221.04453	7.9
227.03433	8.4
229.04919	5.3
231.06583	55.9
233.04510	14.5
237.04002	48.1
241.10710	7.0
244.03784	4.0
245.04535	7.0
249.03990	4.5
249.07681	14.1
252.14897	2.9
255.05090	4.2
257.04535	26.2
263.05701	5.0
275.05594	82.0
276.05823	4.1
277.03415	8.9
283.11780	12.5
293.06662	38.0
294.07053	5.4
295.04855	3.0
337.05569	30.9
343.13986	14.8
355.06644	7.2
434.27167	2.9
465.43689	3.0
523.18555	4.3
575.21893	3.9
581.18774	48.8
589.19611	4.7
601.19354	7.4
607.20795	3.3
613.22015	9.8
619.20074	13.6
637.21375	8.0
639.19214	11.7
655.22882	6.8
663.19263	8.3
681.20972	18.8
699.21411	59.2
700.21881	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38657	0.4
59.01250	100.0
60.01585	1.0
61.98718	0.6
70.67223	0.6
70.67616	0.7
70.79816	0.4
71.38094	0.4
74.40286	0.3
78.95793	0.9
96.95908	0.4
113.02413	0.4
113.81710	0.4
121.02855	1.7
123.57922	0.3
136.82143	0.4
152.99446	0.8
163.03876	0.4
171.10147	0.7
191.03329	0.5
197.11838	1.2
209.04572	1.5
214.11720	0.5
253.09254	0.6
279.23480	0.7
293.21729	0.4
299.46231	0.4
301.65533	0.5
302.88315	0.4
500.78247	0.4
592.85089	0.4
618.24243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51100	0.1
59.01246	1.3
60.99169	0.2
67.01767	0.4
69.03318	0.3
70.92680	0.2
71.01245	1.0
73.02831	0.3
79.95603	0.2
81.03335	0.3
83.04898	0.3
85.02824	6.2
87.00746	1.6
93.03329	3.8
94.08498	0.1
96.95890	1.5
99.00740	0.2
99.04417	0.3
101.02352	0.2
102.45068	0.2
109.02836	0.6
111.04401	1.2
113.02340	0.2
116.92709	0.4
117.03347	0.2
125.02351	0.2
127.03889	1.5
132.02083	0.2
133.02841	2.0
134.03568	0.2
135.04411	3.7
137.02348	0.2
137.09572	0.2
140.69984	0.1
148.90773	0.2
155.03345	0.3
155.10677	0.9
161.02350	7.5
162.02689	0.3
171.02940	0.4
173.04471	1.3
179.03426	2.8
179.10728	0.2
185.00758	0.2
191.05536	100.0
192.05879	3.6
199.09682	0.6
221.11900	0.2
283.12018	0.3
290.86972	0.2
299.13025	0.2
317.13928	0.4
343.14014	0.3
353.08768	12.5
354.09119	1.2
359.15088	0.2
449.14734	0.4
461.18109	0.3
505.17230	5.8
506.17361	0.8
523.18628	0.2
622.60651	0.2
697.23407	9.4
698.23224	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	1.3
57.27135	1.1
59.01251	23.8
60.55350	0.9
61.98701	5.9
69.03326	11.5
71.01252	6.4
71.53260	1.9
73.02790	1.6
78.95777	3.6
85.02830	2.1
89.02322	5.1
93.03333	1.6
95.04926	1.6
96.29178	1.0
96.95885	1.7
97.06490	1.7
98.28122	1.1
100.38037	1.1
101.02325	3.9
109.06453	1.5
113.02346	3.1
123.08037	1.4
125.05949	1.3
125.09595	1.5
143.06990	1.4
149.09583	1.3
151.11198	3.7
152.99496	1.3
159.08070	1.2
161.04471	1.9
167.10680	4.3
169.08638	5.7
169.12227	1.6
171.10170	5.4
177.09128	20.4
178.09488	1.4
179.14355	2.7
186.44347	1.2
191.05486	2.3
195.10194	53.1
195.13829	9.3
196.10553	3.1
197.11766	13.9
205.12279	12.0
209.11870	1.5
213.11310	2.1
223.13345	100.0
224.13708	7.0
235.08205	4.7
253.09282	15.0
279.23282	1.8
281.17688	2.6
291.19727	2.1
293.21188	1.5
309.20551	2.5
383.23074	1.2
441.21701	1.2
458.36667	1.4
459.22281	18.2
459.32559	1.3
459.91476	1.1
460.22598	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	4.0
59.01252	7.6
61.98699	2.9
64.51752	1.1
69.03321	4.3
69.26727	6.2
69.27156	6.0
71.01253	7.5
72.99168	1.3
73.02827	1.6
78.33846	1.3
78.95758	3.5
83.04881	6.8
87.00761	2.1
88.34490	1.2
89.02307	5.6
91.16093	1.2
95.04929	8.5
97.06462	12.2
101.02329	7.9
109.06467	3.4
111.08045	2.4
113.02321	2.7
113.09595	4.8
119.03363	2.4
133.02965	1.5
139.07555	7.3
152.99452	2.4
155.07074	2.5
157.08618	50.3
171.10167	2.3
199.09743	1.7
201.07529	1.6
201.11269	24.4
207.10095	2.5
209.11754	7.6
210.12068	3.8
211.13358	3.2
225.11183	5.8
227.12762	3.0
235.08167	5.2
249.18416	2.6
250.18752	2.6
251.19862	3.1
253.09296	12.8
277.21719	94.3
278.22052	9.7
279.23132	3.9
280.23389	1.8
281.24509	1.8
311.22217	5.1
329.23206	2.8
338.01309	1.6
437.16373	2.2
461.20135	1.6
463.22461	1.6
697.37982	100.0
698.38342	22.1
702.36328	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00428	0.1
57.03316	0.2
58.00467	0.2
58.29783	0.1
59.00951	0.3
59.01249	4.5
61.89713	0.2
61.98720	0.3
71.01254	2.4
72.99185	0.2
73.02824	0.5
80.02547	1.1
81.03324	1.1
83.01251	0.5
83.04399	0.3
83.04891	5.0
84.02023	0.7
85.02826	0.8
87.00758	0.4
89.02316	2.3
95.01270	0.2
95.04386	0.1
95.04898	0.8
97.02839	0.2
97.06467	0.2
99.00774	0.2
101.02312	2.4
101.02921	0.2
109.06489	0.5
113.02337	1.2
119.03378	0.4
125.05972	0.4
133.05003	0.2
135.08087	1.0
137.09641	0.2
141.09018	0.1
143.03297	0.1
145.04933	0.2
146.42079	0.1
147.11644	0.2
155.10693	0.2
161.04503	1.1
163.11192	3.6
165.12749	2.3
165.14091	0.2
166.13052	0.2
171.10234	0.2
177.16545	0.2
179.05505	0.3
181.08614	4.7
181.12212	0.6
191.10696	1.1
199.09724	1.8
205.19533	0.2
207.10197	0.4
209.11765	100.0
210.12103	6.1
211.13342	0.2
212.28546	0.1
218.21831	0.1
225.11308	0.5
226.11543	0.2
227.12843	10.3
228.13153	0.6
231.17545	0.3
235.08168	2.0
249.18562	43.9
250.18887	3.7
253.09250	7.2
254.09520	0.3
277.21713	10.2
278.22067	0.8
279.23206	0.2
382.64398	0.2
391.68372	0.1
441.29587	0.1
445.20755	0.8
482.64752	0.2
656.42255	0.2
695.39856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.5
57.03307	0.5
58.00466	0.5
59.01250	13.9
69.03321	0.3
70.27795	0.2
70.40577	0.7
70.42407	0.2
71.00324	0.2
71.01249	3.7
72.99165	0.3
73.02812	1.0
78.95773	0.6
80.02538	0.5
81.03325	1.2
83.01256	2.0
83.04893	13.2
84.02053	0.6
84.05234	0.4
85.02827	1.1
87.00755	0.9
89.02311	2.4
95.04886	0.6
97.02818	0.4
97.06445	1.1
101.02319	3.3
107.04940	0.3
108.60374	0.2
109.06480	2.1
113.02328	1.7
119.03383	0.8
121.06438	0.3
125.02336	0.2
133.04962	0.4
135.08061	4.0
136.08374	0.3
137.09616	2.0
145.04935	0.7
152.99486	0.3
161.04478	1.6
161.49567	0.2
163.07515	1.5
163.11195	0.3
179.05554	0.3
179.07083	0.2
181.08615	67.5
182.08975	3.2
199.09691	5.0
199.13327	1.8
207.10269	0.5
209.11772	2.7
225.11215	0.7
227.12807	6.2
228.13254	0.2
229.14388	0.3
233.22575	0.3
235.08162	4.5
249.18564	4.1
250.18912	0.4
251.20100	0.4
253.09250	11.3
254.09686	0.4
259.20618	0.5
275.20044	0.4
277.21710	100.0
278.22055	9.4
279.23270	0.8
327.59296	0.3
327.79968	0.2
441.30463	0.3
445.20938	0.5
463.21750	1.5
695.39661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.5
58.62540	0.2
59.01250	14.4
60.01593	0.2
61.98688	0.2
69.03331	0.2
70.44465	0.4
70.44810	0.3
71.01253	4.3
72.99179	0.3
73.02832	1.1
73.78349	0.2
80.02538	0.6
81.03334	1.7
83.01258	2.2
83.04896	14.1
84.02048	0.5
84.05215	0.2
85.02821	1.2
87.00742	0.8
89.02320	2.3
95.04885	0.5
97.02835	0.4
97.06466	1.6
97.43504	0.2
99.00742	0.5
101.02321	3.9
109.06477	2.4
113.02338	1.6
119.03404	0.7
127.07664	0.2
129.01820	0.2
131.49879	0.2
133.04962	0.3
135.08055	4.6
137.09630	1.8
145.04984	0.5
161.04471	1.6
163.07526	1.8
171.10188	0.4
179.05612	0.3
181.08618	66.3
182.08961	3.4
183.13821	1.0
199.09703	4.8
199.60014	0.2
201.95251	0.2
207.10181	0.4
209.11740	1.4
225.11272	0.6
227.12776	0.3
229.86154	0.2
233.22736	0.3
235.08157	4.0
249.18567	1.5
250.19069	0.2
253.09251	9.9
254.09612	0.5
259.20737	0.3
275.20285	0.4
277.21713	100.0
278.22055	10.4
279.23129	0.4
556.63080	0.2
583.96338	0.2
612.17603	0.3
695.39996	0.9
696.40826	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.3
59.01252	0.8
61.98702	100.0
62.98394	0.2
66.67765	0.1
67.72664	0.1
71.01288	0.4
72.99202	0.2
75.00739	2.4
75.01139	0.1
78.95753	0.1
85.02819	1.9
85.03291	0.1
86.03143	0.1
87.00764	0.1
95.01288	0.2
112.01585	0.2
113.02332	1.1
130.73053	0.1
152.99498	0.1
175.02385	0.1
191.98621	0.1
206.65463	0.1
234.66814	0.1
273.57544	0.1
453.34198	0.1
455.35208	0.6
509.36325	0.1
555.37091	0.3
631.38483	11.2
632.38800	2.0
651.44696	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31672	0.3
59.01251	100.0
60.01590	1.0
61.98737	0.5
69.33741	0.4
70.10210	1.2
70.10624	0.6
71.01241	0.3
78.95776	13.6
80.96392	1.5
81.76273	0.4
83.30433	0.3
89.13943	0.4
95.95389	0.3
132.27603	0.3
148.99956	0.6
152.99455	1.6
175.46025	0.3
185.10156	0.3
205.15900	1.1
209.11720	0.8
225.00568	0.3
225.11313	0.4
227.12769	0.4
249.18677	0.6
277.21432	0.5
279.23291	2.4
297.94977	0.4
415.22186	0.7
424.46609	0.4
433.23358	0.4
541.97137	0.3
653.29199	0.4
662.70654	0.5
695.30988	48.3
696.31421	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
58.00454	1.1
59.01253	11.3
61.98711	3.7
69.03323	1.3
71.01254	8.4
71.53129	0.6
73.02799	1.1
75.00753	0.8
78.95774	10.5
80.02528	1.0
81.03329	1.7
81.70242	0.7
83.01253	0.7
83.04892	5.5
84.02054	0.6
85.02827	1.7
87.00749	1.2
89.02317	4.8
93.65093	0.5
95.04858	1.0
96.96839	1.1
97.02869	0.8
99.00743	0.8
101.02317	6.9
102.45004	0.6
109.06489	0.8
111.00762	0.8
113.02319	3.1
119.03378	1.6
140.20576	0.7
143.03419	0.8
152.99493	6.6
155.14287	0.9
161.04486	2.3
163.11258	4.1
165.12825	3.8
167.10683	0.9
178.02287	0.6
179.05495	1.6
181.08676	0.8
181.12222	1.8
183.10237	5.1
183.13812	2.8
186.61130	0.7
191.05417	0.9
191.10716	2.0
199.11490	1.4
199.13333	25.5
205.19521	0.8
207.10269	1.1
208.10568	0.8
209.11777	100.0
210.12146	6.3
211.13347	14.2
212.13618	0.7
223.13489	0.8
225.11292	2.2
226.11617	1.2
227.12848	78.4
228.13139	5.0
229.14481	0.8
231.17540	0.9
235.08151	3.4
245.14030	1.7
247.17140	0.9
249.18573	78.5
250.18890	6.3
253.09264	17.3
265.18088	5.6
275.20258	0.9
277.21875	0.9
277.41733	0.7
279.23294	15.9
280.23566	1.3
291.19424	0.6
293.21237	3.7
415.22504	6.4
415.32471	1.1
416.23041	0.9
433.23563	3.1
441.29987	3.5
445.20807	2.9
447.22058	1.5
463.21823	14.6
464.22089	2.1
545.09137	0.8
677.38568	1.3
695.38721	5.0
722.45862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.3
57.03317	0.2
59.01247	4.2
61.98686	0.3
67.25600	0.1
69.03331	0.2
70.28076	0.4
70.28510	0.5
71.01250	2.4
72.99196	0.2
73.02812	0.4
78.95773	0.5
80.02538	0.9
81.03328	1.2
83.01234	0.4
83.04894	4.5
84.02031	0.9
85.02798	0.8
87.00759	0.4
89.02313	2.2
91.03944	0.2
93.03374	0.2
95.01241	0.3
95.04905	0.7
97.02790	0.2
98.20417	0.2
99.74957	0.2
101.02307	2.3
106.99308	0.2
107.27331	0.2
109.06467	0.4
111.08033	0.2
113.02338	1.1
119.03406	0.5
125.06010	0.4
135.08031	0.6
152.99409	0.2
161.04466	1.0
163.11200	3.7
164.11491	0.2
165.12755	2.1
179.05513	0.4
179.07059	0.2
181.08676	1.2
181.12268	0.4
191.10698	0.9
199.09668	0.6
199.13303	0.4
205.19580	0.2
207.10194	0.3
209.11760	100.0
210.12109	6.3
225.11229	0.7
227.12831	11.6
228.13144	0.8
235.08174	1.4
249.18558	42.8
250.18871	3.6
251.20033	0.5
253.09256	6.9
253.11909	0.3
254.09659	0.4
277.21704	2.6
278.22046	0.4
279.23233	0.5
302.84567	0.2
415.22461	0.3
445.20764	0.8
595.60309	0.2
695.39685	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78703	0.6
57.03307	1.0
59.01249	26.7
61.98700	2.7
64.68481	0.6
69.03344	1.0
71.01254	8.3
71.04894	0.8
72.99174	0.7
73.02806	2.1
80.02560	0.8
81.03329	2.7
83.01266	1.6
83.04890	3.5
85.02832	3.2
86.38698	0.8
87.00733	2.3
89.02322	6.8
95.01272	1.8
95.04896	3.7
97.02824	6.1
97.06459	1.1
99.00742	0.8
99.04379	1.2
100.29538	0.7
101.02318	8.6
106.04179	1.0
107.04866	1.3
109.06472	30.4
110.03612	2.0
110.06801	1.8
111.04401	1.2
113.02320	4.8
119.03365	1.5
121.06474	1.8
123.04388	1.2
125.09583	1.0
129.01842	0.8
133.06480	1.4
135.08057	5.7
136.05133	0.7
142.02638	1.1
145.04970	0.7
151.07602	0.8
161.04459	2.8
161.05780	0.8
161.09607	3.3
163.11186	20.5
164.11555	0.8
179.05504	2.1
179.07051	7.9
179.10693	2.5
181.12225	3.9
183.10219	2.9
189.09155	6.3
191.05507	1.3
197.08119	5.1
197.11810	1.4
205.19505	1.1
207.10196	91.1
208.10542	5.1
209.11720	1.7
209.28926	0.9
211.13324	2.9
225.11270	100.0
226.11578	6.4
235.08192	4.9
247.16872	0.8
249.18562	66.4
250.18898	6.2
253.09251	14.9
254.09680	1.0
255.23192	0.8
263.16339	0.9
277.21713	17.9
278.22150	0.9
282.52029	0.8
291.19696	3.9
299.14932	1.7
397.13400	1.0
398.13818	1.0
399.13770	1.1
413.30347	1.2
443.19177	7.8
457.29630	0.9
461.20294	24.5
462.20050	3.4
675.37134	1.4
693.38416	32.1
694.38947	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83970	0.4
55.01764	0.6
57.03313	0.7
59.01250	11.1
61.98699	0.6
64.18484	0.6
69.03316	0.7
71.01251	6.9
72.99181	0.4
73.02827	2.2
75.77055	0.5
80.02549	0.7
81.03313	1.1
83.01223	0.8
83.04902	1.0
85.02813	2.0
87.00744	2.1
89.02296	2.7
95.01259	1.5
95.04920	1.4
97.02845	4.4
97.06476	1.5
99.00766	5.0
99.04385	2.0
101.02320	5.1
106.04090	0.8
107.04884	0.6
109.06461	2.3
110.03613	1.3
111.04374	0.5
113.02333	3.5
117.07007	2.4
119.03359	1.1
121.06454	0.6
123.04395	5.2
123.08032	1.4
125.02328	1.2
125.09606	2.1
133.04910	0.7
133.06485	4.4
135.08047	14.8
138.06140	0.5
142.02620	1.2
143.03458	1.1
145.04958	2.0
151.07506	3.3
153.09109	4.4
161.04469	2.6
161.06004	4.2
163.11177	4.1
179.07053	46.8
180.07375	1.8
181.12256	6.1
182.12585	0.7
197.08125	31.3
198.08455	1.5
207.10201	20.6
208.10536	1.0
225.11270	41.9
226.11613	1.9
233.18857	0.4
235.08192	10.5
243.12357	5.2
249.18571	30.8
250.18781	2.5
253.09259	14.9
254.09698	0.9
277.21710	100.0
278.22079	8.8
393.73209	0.6
415.15961	1.5
433.17175	1.5
443.19202	2.4
461.20224	13.8
462.20963	1.2
693.38434	15.2
694.38867	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.6
59.01249	100.0
60.01588	1.0
61.98699	4.4
71.01250	3.2
71.53461	0.7
78.95782	0.8
83.04879	3.4
83.25356	0.6
96.95901	0.7
109.06461	1.4
113.02334	0.6
135.08066	0.8
143.07002	0.9
163.11176	0.6
181.08604	1.6
191.05557	3.2
207.10292	0.6
209.11780	7.3
247.17094	0.7
253.09433	0.8
265.18057	1.1
293.21295	0.6
297.08377	0.6
332.21683	1.1
347.23862	0.7
365.24884	9.4
366.25272	1.1
382.25397	2.1
383.25943	6.7
384.26367	1.2
391.26425	3.0
409.27402	2.6
468.33459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21407	0.5
55.01762	0.9
57.03314	0.8
59.01252	10.5
61.98697	1.8
69.03323	2.2
70.82387	1.0
71.01257	6.1
71.04896	2.6
72.99168	0.6
73.02829	1.0
74.43182	0.6
81.03339	1.8
83.04895	6.9
84.02071	1.0
85.02828	2.0
87.00748	1.7
89.02327	2.9
93.03331	1.3
95.04899	2.8
96.95879	4.1
97.02829	3.6
97.06465	7.1
98.95454	0.6
99.00758	26.1
99.04361	0.6
100.01118	0.9
101.02307	3.9
109.06469	1.9
110.03604	0.7
111.93700	0.5
113.02342	1.9
117.06975	0.8
123.08031	1.2
124.74559	0.5
125.05943	0.9
125.09595	4.7
135.04408	0.6
135.08047	5.3
137.09622	1.1
142.02640	1.1
143.07016	1.3
153.09097	5.3
154.09396	0.6
161.04465	0.6
163.11197	9.1
165.12807	0.7
166.45137	0.6
171.10167	5.3
173.04485	0.8
179.07098	1.0
181.08649	11.4
181.12257	12.2
182.12654	0.9
191.05542	4.4
197.08165	3.7
197.11760	0.8
198.11885	0.6
199.09712	1.1
199.13338	9.8
207.10208	22.7
208.10501	1.1
209.11766	18.7
209.13770	1.0
215.09227	3.8
225.11273	35.0
226.11595	2.0
227.12767	1.7
241.00070	0.7
243.12363	23.1
244.12608	1.7
253.09296	1.9
309.73340	0.6
449.15567	0.5
451.18188	0.8
461.20261	2.1
466.45004	0.6
479.15036	0.7
479.21344	9.3
480.21616	1.3
643.29962	3.8
661.30762	100.0
662.31055	22.3
693.33710	5.9
694.33917	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.3
61.98712	0.5
63.20475	0.5
66.37375	0.5
69.03310	0.5
71.01250	4.2
73.02811	1.1
81.03317	2.1
83.01246	0.8
85.02814	1.0
85.34480	0.4
87.00728	1.2
89.02306	2.2
95.04891	1.4
97.02810	1.4
97.06432	1.1
99.00737	1.1
101.02319	4.5
107.04903	1.5
109.06479	1.1
113.02310	1.8
117.06998	5.3
123.04415	5.3
133.06480	5.2
135.08052	21.5
143.03410	0.6
145.04973	0.6
149.05937	0.8
151.07545	1.0
152.99483	1.0
153.05476	0.6
153.09148	3.6
161.04439	1.4
161.05971	2.8
179.07054	50.3
180.07385	2.1
197.08131	7.0
197.11708	0.6
207.10214	1.4
225.11241	1.6
229.20758	0.5
233.22610	0.8
235.08215	4.1
248.43839	0.5
249.18681	0.9
253.09236	13.4
259.20868	0.6
264.17407	0.5
277.21707	100.0
278.22067	9.6
302.88669	0.5
334.87082	0.5
370.29861	0.5
415.15863	1.3
433.17111	2.3
457.29004	0.5
545.29156	0.5
693.38373	10.9
694.38916	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.3
56.31117	0.3
57.03320	0.4
59.00951	0.6
59.01246	12.6
60.99146	0.3
61.98688	0.9
69.03339	0.6
71.01246	4.9
71.08717	0.7
72.99169	0.5
73.02808	1.1
75.46257	0.3
80.02543	0.3
81.03318	0.7
83.01247	0.9
83.04881	1.2
85.02821	1.0
87.00741	1.1
88.98662	1.1
89.02316	4.2
93.03351	1.0
95.01272	1.7
95.04904	4.6
95.87743	0.3
97.02839	2.6
97.06468	0.6
99.00745	0.5
99.04417	1.1
101.02330	4.2
106.04105	0.6
107.04913	0.5
109.02856	0.6
109.06466	5.2
110.03628	1.8
111.04375	1.1
113.02309	2.7
114.68198	0.3
119.03400	1.2
119.08555	0.5
121.06450	0.5
123.04402	0.5
123.08050	0.3
133.06447	0.4
133.93236	0.3
135.04448	0.3
135.08032	1.6
141.01973	0.4
143.03398	0.6
147.08058	0.5
149.05966	0.4
149.09601	0.4
151.07549	0.4
151.11176	0.7
153.12733	0.6
161.04462	1.4
161.05930	0.3
161.09628	1.4
163.07524	0.5
163.11192	7.7
169.12234	0.9
172.42288	0.3
179.05513	1.4
179.07057	3.3
179.10649	1.7
180.10954	0.3
181.12253	1.8
182.67545	0.3
189.09126	4.2
191.05537	0.4
197.08098	1.2
197.11700	1.2
207.10201	20.7
208.10556	1.0
209.11804	0.6
223.09657	0.5
225.11267	100.0
226.11612	5.0
235.08203	1.7
249.18559	22.6
250.18941	1.3
253.09270	7.8
277.21716	5.6
278.22052	0.3
299.14920	0.6
443.19199	5.9
443.25208	0.4
444.19647	0.5
461.20258	18.5
462.20782	1.8
693.38580	4.7
694.38934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.4
59.01249	15.1
59.77950	0.4
61.98662	0.4
62.01839	0.4
69.03329	1.0
70.67475	0.4
71.01253	6.4
71.92948	0.4
72.32323	0.5
73.02831	1.2
75.00743	0.5
80.02547	0.9
81.03326	3.1
83.01264	0.8
83.04894	3.3
84.02067	0.5
85.02833	2.3
87.00748	0.7
89.02317	4.4
93.03328	0.7
97.02833	6.6
98.20663	0.7
99.00743	1.5
101.02320	5.4
107.04903	0.7
109.06477	38.3
110.03593	1.0
110.06813	1.2
111.00786	0.6
113.02329	3.3
119.03367	1.0
120.21935	0.4
121.06475	2.2
123.04433	1.1
135.08069	4.3
136.05193	1.0
136.06189	0.4
142.02647	2.4
151.07478	0.8
161.04488	2.2
161.09615	1.9
163.11198	19.1
164.11519	0.8
179.05580	0.9
179.07047	1.7
179.10774	0.7
181.12267	3.7
188.50844	0.5
189.09085	3.1
197.05983	0.5
197.08134	1.2
205.19502	0.4
207.10208	100.0
208.10533	6.1
209.11754	1.2
225.11288	38.6
226.11688	2.1
229.16335	0.6
231.17517	0.7
235.08122	2.3
242.77744	0.4
243.12329	0.6
249.18579	69.5
250.18932	5.2
253.09261	16.1
254.09505	0.6
277.21765	4.7
281.14050	0.8
299.14935	1.7
318.59528	0.5
369.14362	0.5
395.29404	0.6
413.30630	1.6
439.28308	0.7
443.19266	4.9
457.29526	0.9
461.20282	15.3
462.20499	1.5
531.33191	0.5
539.46332	0.5
675.37384	0.7
676.37183	0.6
693.38501	30.7
694.38611	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
57.03307	1.0
58.00459	0.8
59.01249	17.2
61.98697	2.0
69.03333	1.3
69.26310	2.6
71.01253	14.5
72.99174	1.4
73.02826	2.1
75.00740	0.3
79.59076	0.3
81.03345	0.7
83.01254	1.3
83.04880	0.3
83.73061	0.2
85.02818	3.1
87.00748	2.9
89.02314	11.4
93.03327	1.1
95.01266	1.0
96.95932	0.5
97.02817	2.3
97.47809	0.2
99.00766	1.0
101.02324	10.7
109.02827	0.3
111.04396	0.4
111.07967	0.3
113.02335	4.8
115.03873	0.3
119.03383	3.1
125.02312	3.5
131.03387	0.9
133.04945	0.3
139.03870	0.3
141.01802	0.3
143.03403	2.0
149.04478	0.5
154.84209	0.2
155.10567	0.3
161.04453	1.6
171.10223	0.3
173.04506	0.4
177.12772	0.3
179.03986	0.3
179.05527	2.5
179.10744	0.3
179.14323	0.7
183.10144	0.9
185.04495	0.3
191.05566	2.9
195.13826	7.9
196.14449	1.0
204.20274	0.2
205.12241	0.4
205.15942	0.4
209.11884	0.2
211.13416	0.6
221.06606	0.6
223.13351	5.9
224.13737	0.3
225.14958	0.3
228.13586	0.7
235.08192	3.8
253.09236	1.2
256.13132	1.0
263.07596	0.5
265.21780	0.3
275.20175	4.1
287.07730	0.9
293.21219	100.0
294.21558	10.6
305.08792	0.8
323.09683	0.6
379.12628	0.5
397.13483	22.8
398.13782	1.9
415.14563	24.8
416.14957	2.0
496.42355	0.3
541.13721	0.3
654.27362	0.6
691.35748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83978	0.8
55.01753	1.5
56.25788	0.8
57.03321	1.7
58.00463	2.3
59.01253	36.8
61.98701	17.4
67.01760	1.7
69.03322	4.2
71.01255	30.2
71.04879	2.4
71.53443	1.4
72.99169	3.9
73.02821	4.2
75.00733	1.2
78.95759	1.5
79.95621	1.7
81.03314	1.9
83.01254	3.5
85.02807	7.9
87.00734	9.1
89.02319	24.5
93.03329	5.3
95.01251	2.5
95.95094	1.3
96.95882	8.8
97.02818	5.8
101.02322	25.8
103.00271	1.2
109.02863	1.0
111.04402	1.9
113.02344	13.0
115.03864	1.6
119.03404	7.0
125.02318	7.7
131.03369	1.4
134.03659	0.9
135.04436	1.5
137.02318	1.1
139.03990	1.0
141.01799	2.0
143.03377	3.9
161.04472	4.2
169.12221	0.9
171.10081	1.3
173.04561	2.4
179.05534	5.2
179.06952	1.0
185.00922	1.2
191.05547	18.6
192.05809	1.1
203.02005	1.4
209.11722	1.5
209.15375	1.1
211.13383	1.5
215.07045	1.0
221.06630	3.0
231.21144	3.2
235.08231	8.5
235.17007	38.1
236.17256	3.1
253.09241	2.9
256.99866	1.2
275.20154	45.0
276.20331	5.7
287.07669	1.7
293.21225	100.0
294.21521	8.6
305.08707	3.0
323.09735	1.2
397.13492	69.3
398.13919	5.6
415.14575	39.1
416.14932	3.0
459.26886	1.1
509.13092	1.6
605.26282	3.0
647.27521	1.5
691.25244	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.8
61.98704	0.8
67.89382	0.7
69.19709	0.8
73.04971	0.6
78.95776	32.6
80.02547	1.2
81.03348	1.7
83.04908	6.4
84.02042	0.9
95.04904	0.9
96.96857	2.8
98.20546	2.0
105.69257	0.6
119.93456	0.6
120.81471	0.9
125.05962	0.8
146.66977	0.8
152.99492	50.5
153.99835	0.9
163.11226	5.0
165.12787	3.2
171.00569	5.8
176.56120	0.7
181.12302	1.0
186.48309	0.8
191.10762	1.1
199.13164	1.3
207.10358	1.2
209.11775	85.6
210.12111	5.3
227.03322	4.1
227.12837	9.7
228.13383	0.9
245.04228	1.5
253.21706	21.7
254.22066	3.0
268.58023	0.7
277.21954	0.7
363.12103	8.0
437.15781	6.2
455.16852	100.0
456.17154	8.0
638.28754	0.8
691.38251	74.8
692.38538	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50254	0.6
64.91839	0.5
69.67984	2.8
93.03361	0.7
98.20493	0.7
119.04910	95.5
120.05230	4.4
127.11636	0.5
145.72298	0.6
163.03911	100.0
164.04253	5.6
185.36125	0.6
325.09259	14.6
326.09647	1.2
345.47339	0.7
351.12524	0.8
402.47205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58804	0.5
55.29517	0.4
56.93948	0.4
59.01249	10.8
61.98679	0.6
66.18228	0.5
69.03326	4.0
69.21278	5.6
71.01249	2.3
72.99194	0.7
73.02819	0.7
76.96920	0.5
79.95608	15.7
80.96382	4.6
85.02816	2.8
87.00760	0.5
89.02325	0.9
93.03329	1.4
95.95119	4.8
96.95889	100.0
97.02816	1.7
98.95463	1.5
99.00748	1.0
101.02325	2.0
103.00248	9.7
109.02825	2.0
110.97458	2.3
120.13309	0.5
121.02815	1.0
122.03609	1.0
135.04420	1.2
138.96947	0.9
141.05359	0.5
143.03439	0.6
147.04376	0.7
150.96951	1.7
152.98502	1.9
161.02457	0.6
161.05960	0.6
164.98531	8.0
165.05467	1.0
168.44661	0.5
180.97977	1.4
185.00844	3.6
191.05493	3.8
194.88516	0.5
194.99515	0.9
212.58334	0.5
222.99178	0.7
241.00110	3.9
256.99670	2.7
281.04440	0.6
288.69562	0.5
299.00772	0.7
311.04037	0.7
313.14468	0.9
329.05469	7.0
341.06836	2.3
343.15399	0.7
347.15076	0.6
361.16504	2.5
371.06461	4.7
449.10983	0.7
505.20172	0.7
521.93854	0.5
527.08215	2.4
585.16455	1.1
603.17480	29.3
604.17749	4.6
638.81305	0.5
645.18536	57.2
646.18762	9.1
671.16345	1.5
689.17334	22.0
690.17859	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40902	0.6
56.94191	0.6
57.03308	1.1
59.01253	17.4
61.98000	0.6
65.94733	0.6
67.67477	0.6
69.03325	1.3
69.22884	2.4
69.23308	3.3
71.01246	2.2
72.99163	0.9
73.02821	1.0
78.65651	0.7
79.95609	8.2
80.96387	2.1
83.01268	0.8
85.02825	2.6
85.51086	0.6
87.26569	0.7
89.02328	0.8
95.95149	0.8
96.95890	100.0
97.95805	0.6
98.95491	4.0
101.02308	1.6
103.00248	5.5
112.31467	0.8
113.02284	1.1
122.06031	0.7
125.02361	0.8
136.07545	0.7
137.02362	0.8
138.96967	2.2
143.03430	0.8
148.01535	0.8
150.96916	0.8
151.00252	1.3
152.98514	2.2
162.55261	0.7
163.00291	1.9
164.98534	3.8
165.10118	0.7
166.08672	0.8
172.05211	1.2
175.00273	2.0
176.01088	1.0
177.01883	1.9
180.97961	1.6
187.07518	0.8
191.05583	3.1
198.99095	0.8
201.09146	2.4
202.99832	3.3
203.01552	0.6
209.11867	0.8
219.24338	0.7
221.97333	0.6
228.07527	0.8
229.08652	2.0
241.00209	4.1
255.06650	1.1
296.72400	0.7
316.81668	0.6
349.07220	1.1
351.08838	1.0
363.09274	0.8
381.09937	3.7
389.17526	0.8
393.09723	1.8
405.09613	3.5
406.09982	1.0
407.11447	4.1
409.09344	1.5
423.10904	2.2
433.09143	6.5
434.10089	1.0
443.75989	0.6
507.12918	22.0
508.13235	4.7
525.14142	6.5
526.14142	1.2
569.16748	1.8
585.29224	0.8
603.30524	63.4
604.30975	10.5
645.31494	28.5
646.31476	3.9
657.26001	2.2
671.19763	13.8
671.29510	1.0
672.20404	3.6
689.30518	47.0
690.30933	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27065	0.5
57.03325	0.8
59.01251	14.6
64.81129	0.6
69.03326	1.6
71.01247	2.3
71.11069	0.8
73.02814	1.4
75.50111	0.6
79.95605	9.2
80.96398	3.2
83.01243	0.6
85.02811	2.0
85.87347	0.5
87.00758	0.6
93.03320	1.2
95.95074	0.6
96.95888	100.0
97.02841	0.8
97.95834	0.8
98.95469	2.4
99.00765	1.1
101.02316	1.9
103.00249	8.4
113.02307	0.6
116.36977	0.7
125.02380	0.7
141.54791	0.6
150.96960	0.7
152.98541	0.8
163.00272	0.8
164.98544	4.8
171.10181	1.3
176.01082	0.6
177.01901	1.0
180.98074	1.2
191.05521	2.1
201.09142	1.9
202.99803	2.0
203.01782	1.2
209.11739	2.2
221.13254	0.6
229.08600	1.4
241.00182	2.8
243.43575	0.5
281.04617	0.7
308.03409	1.0
312.09882	0.7
336.02850	1.5
375.08551	0.8
381.09982	3.1
393.09686	1.5
399.10788	0.9
405.09732	2.6
406.55655	0.6
407.11414	1.8
423.10754	1.1
425.12540	1.2
433.09439	3.1
434.09079	0.7
450.74979	0.6
451.10208	0.8
480.44394	0.6
507.12924	8.7
508.13309	1.7
525.14044	7.7
526.14630	0.9
585.29431	1.7
603.30499	68.2
604.30743	12.3
645.31567	30.8
646.31952	5.8
671.19763	3.4
671.29932	1.3
689.21313	2.6
689.30615	42.8
690.21881	0.5
690.31018	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	11.2
60.08319	0.4
69.03334	0.4
69.36491	3.2
71.01249	1.3
72.99196	0.5
73.02815	0.6
79.67767	0.4
79.95612	7.9
80.96399	3.2
81.40274	0.4
83.01256	0.5
85.02812	1.1
95.95117	1.1
96.95889	100.0
97.81193	0.4
98.20541	0.9
98.95490	1.0
99.00763	0.5
101.02335	1.5
103.00250	7.0
113.02303	0.7
134.58975	0.4
138.96957	0.6
150.06783	0.7
150.96893	0.5
152.98524	1.1
164.36748	0.4
164.98575	5.1
171.09999	0.4
180.98064	2.1
191.05563	0.7
201.14931	0.4
209.11919	0.7
212.63051	0.5
225.11382	0.4
241.00204	3.1
299.01505	0.4
315.05118	0.6
439.61667	0.4
473.27423	0.4
503.32248	0.6
553.26190	0.7
571.27863	4.2
583.27991	1.3
601.28955	62.2
602.29285	10.1
607.14563	0.6
613.29016	1.1
643.30029	25.9
644.30280	3.2
654.18335	0.5
669.28607	0.6
686.38245	0.7
687.28949	33.2
688.29297	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34100	0.4
57.03337	0.6
59.01247	10.6
59.82546	0.3
69.40556	3.1
70.20430	0.4
71.01249	1.6
73.02808	0.5
79.95608	7.8
80.96384	2.2
85.02822	1.0
89.02328	0.5
95.95126	0.6
96.95888	100.0
98.53812	0.4
101.02304	1.2
101.55609	0.4
103.00252	7.9
108.09336	0.4
113.02335	0.7
122.97494	0.7
138.97006	2.0
150.96967	0.7
152.98550	1.7
164.98503	3.2
180.98000	1.4
191.05406	0.4
198.99117	0.8
241.00220	4.9
256.99615	0.5
259.01279	0.8
315.05109	0.8
503.32236	0.9
553.26477	0.5
571.27789	4.1
583.27991	1.4
601.28955	70.3
602.19501	0.7
602.29260	11.3
607.15503	0.5
613.29016	0.9
643.29999	33.3
644.30298	5.7
669.27917	1.6
687.29004	45.5
688.29413	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
71.52743	0.3
96.95889	2.1
191.05569	0.7
209.11827	0.3
241.00264	0.5
283.01138	0.3
364.97040	0.3
390.09250	0.3
391.01501	0.3
467.14182	0.3
603.16504	0.4
689.16071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46460	1.5
55.01745	1.4
57.03327	1.5
58.00448	2.2
59.01249	31.6
61.98709	2.4
69.03325	5.1
71.01250	30.6
71.52605	1.7
72.99168	3.3
73.02815	4.0
73.70763	1.5
75.00765	1.5
78.95773	2.1
83.01257	3.8
83.04899	1.5
85.02816	8.2
87.00764	6.1
89.02316	20.7
92.04990	1.7
93.03305	1.8
97.02820	6.7
99.00720	1.8
101.02331	21.3
109.02862	1.6
111.04381	1.4
113.02341	11.4
119.03415	9.3
125.02337	9.9
135.04449	1.7
139.78680	1.6
143.03404	4.9
152.99648	1.7
161.04459	4.1
171.10156	1.8
175.35953	1.6
178.99738	1.7
179.03381	2.0
179.05554	3.3
185.00795	1.3
190.12457	1.6
191.05531	8.1
206.25119	1.5
213.08757	1.4
217.07339	1.5
220.34828	1.3
227.20126	77.9
228.20515	4.5
235.08142	11.2
236.08401	1.7
251.20084	1.7
253.09174	3.2
255.23398	1.4
287.07626	1.9
294.01880	1.4
305.08798	4.0
397.13461	100.0
398.13870	10.3
415.14624	30.1
416.14917	3.2
439.23996	1.5
625.33942	3.4
626.35693	1.7
653.23041	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32751	0.5
59.00956	0.6
59.01252	10.2
69.03313	0.8
69.42122	4.0
71.01245	2.8
73.02816	1.5
75.72960	0.4
79.95605	16.8
80.96386	4.6
85.02825	1.7
85.98515	0.5
87.00732	0.7
89.02289	0.9
90.19513	0.5
93.03322	0.8
95.95097	6.9
96.95885	100.0
97.02769	0.5
101.02309	1.6
103.00249	9.3
110.97454	2.2
112.66459	0.5
113.02307	0.9
115.00286	0.4
118.34447	0.5
121.02812	0.5
122.97466	0.5
125.02267	0.5
134.97488	0.9
135.04405	1.4
138.96919	1.0
150.96968	1.1
152.98500	1.9
160.05095	0.8
164.98520	7.5
175.07486	0.7
179.03477	1.0
180.98015	1.6
189.05478	0.9
190.06287	0.9
191.05511	2.0
194.99615	1.0
203.01913	0.7
203.16400	0.5
225.00757	1.0
237.64915	0.5
238.98596	0.8
241.00175	5.7
256.99719	2.9
283.01151	0.7
289.23477	0.5
299.00833	1.2
329.13748	1.1
348.11182	0.7
379.94656	0.6
413.60983	0.5
518.19550	0.5
583.14935	1.3
586.13702	1.4
601.15991	32.3
602.16119	4.3
625.89740	0.6
643.16962	56.9
644.07355	0.6
644.17365	8.1
669.14764	1.0
687.15820	19.8
688.16718	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07230	0.6
59.01252	10.6
69.03313	0.9
71.01236	3.0
71.53420	0.6
72.99166	0.9
73.02806	1.8
79.95609	17.3
80.96390	3.4
81.92482	0.6
85.02812	1.9
86.08967	0.6
89.02309	1.1
93.03328	2.5
95.95101	7.2
96.95887	100.0
97.02811	0.7
98.96987	0.6
101.02329	2.5
103.00240	9.1
110.97446	2.8
122.97442	0.7
135.04416	1.4
137.02393	0.7
138.96976	1.1
150.97014	0.8
152.98543	2.3
161.02324	1.3
164.98547	6.3
173.04462	0.8
179.03415	1.4
180.98055	1.5
189.05574	1.1
191.05519	2.7
192.06015	0.6
194.99585	1.1
222.99109	0.9
225.00874	0.9
238.98705	1.1
241.00154	6.3
241.08302	0.7
256.99683	2.6
283.01373	1.0
299.00739	1.3
329.14059	1.2
341.13995	0.7
348.11407	1.7
357.97241	0.8
415.57236	0.7
478.07513	0.7
583.14642	0.9
586.13336	1.4
601.06006	1.3
601.15936	33.8
602.16272	4.1
643.16998	59.5
644.17279	9.4
687.15967	19.4
687.27802	1.2
688.16321	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.3
58.16943	0.3
59.01252	11.4
61.98708	3.0
64.16955	0.3
69.03339	0.5
69.36456	2.0
69.36875	0.8
71.01245	2.2
72.99186	0.4
73.02803	0.5
79.95605	9.3
80.96385	3.6
83.01231	0.3
85.02824	1.8
87.00764	0.6
89.02322	0.6
93.03300	0.6
95.95113	1.5
96.95889	100.0
97.02850	0.4
98.20541	0.5
98.95460	0.4
101.02306	1.7
103.00253	7.8
103.00892	0.3
103.07152	0.3
113.02308	0.8
113.43976	0.3
137.66380	0.3
138.96953	1.6
150.06775	3.0
150.96939	0.6
152.98555	1.6
158.30556	0.3
163.07602	0.7
164.08327	0.6
164.98531	4.1
179.10728	1.7
180.98024	1.8
185.00882	0.4
191.05585	1.6
198.99069	0.6
203.01903	0.4
222.99120	0.5
241.00217	5.2
242.27655	0.3
256.99683	3.1
259.01349	0.5
267.76413	0.4
343.21579	0.8
477.32007	0.7
501.30688	0.9
522.32507	0.5
523.32513	2.2
569.26312	3.9
570.27216	0.5
581.26349	1.2
599.27405	61.2
600.27722	10.2
611.27203	0.7
641.28448	24.1
642.28625	3.7
667.26367	1.0
685.27411	33.1
685.38220	10.0
686.27795	5.6
686.38611	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22737	0.4
59.01256	10.8
61.98692	1.4
66.91563	0.4
69.03349	0.5
69.46712	0.7
69.47118	3.0
71.01258	1.5
72.83884	0.4
72.99168	0.5
79.95605	8.4
80.33128	0.3
80.62157	0.4
80.96387	3.0
81.47185	0.4
85.02813	1.7
96.95889	100.0
97.02802	0.5
99.00758	0.6
101.02319	1.5
103.00253	6.1
113.02322	0.8
116.30655	0.4
122.97501	0.6
128.30991	0.4
138.96973	2.4
144.96486	0.4
150.06787	0.6
150.96964	0.7
152.98511	1.6
164.98560	3.0
180.98019	1.5
181.98219	0.4
191.05508	1.7
208.01927	1.0
223.04276	1.4
241.00186	5.2
241.05357	0.7
256.99744	3.1
259.01361	0.6
426.09125	0.7
459.63739	0.5
501.30750	1.4
551.25751	0.6
569.26221	3.3
581.26428	0.9
599.27417	61.6
600.27863	9.6
611.27222	0.6
641.28467	28.1
642.28418	3.8
664.40717	0.5
667.26227	1.5
685.27478	31.7
685.37732	2.2
686.27838	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.3
57.03325	0.7
58.00470	1.5
59.01251	30.1
71.01253	27.4
71.51588	0.4
72.01586	0.5
72.99179	1.6
73.02821	0.7
75.00751	0.5
78.95782	0.3
83.01266	0.8
85.02825	3.8
87.00755	2.3
89.02317	32.9
90.02647	0.7
94.85551	0.3
95.01255	1.8
99.00787	0.3
101.02325	14.6
105.01824	0.4
107.03405	0.4
110.89780	0.5
111.00761	0.5
113.02333	10.6
114.02648	0.3
119.03380	11.7
120.03826	0.3
125.02310	0.5
129.01855	0.4
131.03381	2.1
133.47908	0.3
143.03407	2.8
149.04514	1.0
154.03816	0.3
161.04475	3.6
161.50732	0.3
179.05527	17.6
180.05884	0.8
191.01938	0.6
191.05504	3.6
237.52919	0.3
258.56702	0.3
265.09216	0.7
267.07315	0.3
276.14090	0.3
341.10880	100.0
342.11240	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55785	0.3
57.03319	0.3
58.00462	0.4
59.01253	6.7
59.46066	0.4
67.27973	0.4
67.44277	0.4
69.03310	0.4
69.60416	1.3
69.60841	0.9
71.01255	10.7
72.99177	0.8
73.02816	3.8
83.01283	0.6
85.02831	2.8
87.00748	2.1
87.04384	1.4
89.02326	5.6
93.03326	0.4
96.95869	2.1
97.02813	1.0
101.02328	4.8
108.46649	0.4
113.02326	3.5
119.03402	0.8
119.44426	0.3
125.02367	0.7
131.03418	0.4
135.08035	1.6
137.09616	11.0
138.10001	0.4
143.03387	1.2
155.10683	100.0
156.11024	5.1
161.04453	0.8
169.12268	0.5
179.05481	0.7
181.08653	2.5
191.05553	1.2
199.09688	33.7
200.10008	1.6
203.05583	0.5
206.66208	0.4
209.11800	1.1
213.11275	0.7
221.06577	2.4
241.06906	0.4
241.10791	4.1
265.15695	0.4
271.11896	0.6
283.11914	0.4
301.12952	1.4
305.10800	0.5
306.10703	0.4
323.09708	0.4
340.08459	0.4
341.11008	0.4
361.15042	12.5
362.15393	1.3
403.16058	15.1
404.16455	1.8
485.15573	0.7
505.19339	4.8
506.20047	0.4
523.20349	3.0
524.20935	0.4
685.25598	74.4
686.14166	0.8
686.25952	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	10.2
61.98701	2.3
69.33138	0.4
69.52131	3.1
71.01240	2.0
72.05589	0.4
73.02816	0.7
78.95737	0.5
79.95609	8.3
80.96394	3.9
83.01214	0.5
85.02819	1.6
93.03362	0.6
95.02011	0.5
95.95121	1.6
96.95889	100.0
98.20525	0.9
98.95478	0.5
101.02328	1.3
103.00258	6.8
113.02290	0.6
122.97426	0.5
135.04419	0.7
138.67598	0.5
138.96925	1.3
146.60028	0.4
150.97012	0.7
152.98535	1.3
164.98563	3.7
180.98033	1.6
188.50540	0.4
191.05539	1.8
198.99045	0.5
241.00191	4.6
252.66922	0.4
256.99603	0.7
501.30911	0.7
539.25323	1.1
551.25177	2.1
569.26428	2.7
570.26501	0.7
581.26685	1.1
599.27448	62.5
600.27722	8.7
611.27588	0.5
641.28406	26.7
642.28607	5.0
667.26569	1.4
685.27448	33.2
686.27802	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03285	0.8
59.01252	14.3
59.68924	0.6
61.16574	0.7
61.98703	1.3
69.03328	3.3
71.01248	6.2
72.99171	1.3
73.02808	1.5
73.03561	0.5
75.00777	0.7
77.84042	0.6
78.95755	0.7
79.95596	9.0
80.96397	5.3
84.03242	0.6
85.02805	3.4
87.00744	2.7
89.02332	1.0
93.03356	0.7
95.95090	1.2
96.95887	100.0
97.02846	0.9
98.95476	0.8
99.00752	0.9
101.02314	4.7
103.00262	7.6
104.06963	0.7
108.02062	0.9
111.08057	0.7
113.02346	1.5
122.97430	0.7
125.02323	0.7
125.09603	1.3
133.02815	0.6
135.04520	0.7
141.01813	0.8
144.19836	0.6
145.24631	0.7
152.98450	0.6
164.98572	8.4
171.10176	2.9
173.04507	0.7
180.98074	1.7
185.00821	1.9
185.11739	1.5
191.05524	4.6
197.11815	1.0
203.37460	0.6
209.11696	1.0
223.13242	0.7
229.16768	0.9
241.00163	2.9
249.14853	1.4
283.01190	1.1
296.47754	0.6
297.24326	0.7
308.36209	0.7
309.24438	0.7
327.25342	2.1
339.25351	6.7
357.26480	12.7
358.26807	1.2
399.07065	1.2
435.07330	1.1
501.30722	4.4
502.30807	0.9
519.31750	21.1
520.31848	3.0
561.32666	9.6
562.32904	1.5
581.26514	1.8
599.27539	18.6
600.27686	2.6
605.16510	3.5
606.17139	0.8
641.28430	66.6
642.28729	12.1
667.25751	1.8
685.27411	47.5
686.27765	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05683	0.8
51.13706	0.7
59.01252	19.3
61.98685	3.1
69.03328	3.9
71.01250	7.8
71.53959	1.5
72.99179	2.2
73.02829	3.8
75.00707	0.8
79.95609	7.3
80.96394	3.5
83.01249	1.8
85.02817	5.4
87.00745	2.0
89.02314	2.0
93.03348	2.6
95.01270	1.0
95.95110	1.4
96.95886	100.0
97.02833	2.6
98.95479	0.9
99.00769	2.3
101.02309	4.7
103.00243	5.6
113.02323	3.0
119.03440	1.2
119.04912	1.7
127.03861	0.7
129.01820	1.2
133.02814	0.8
134.97450	1.1
135.04424	2.7
137.02299	1.1
138.96997	1.6
141.01866	1.3
152.98544	2.1
154.27257	0.8
159.02980	0.9
164.98528	2.3
173.04514	0.9
176.98534	2.6
177.03960	2.3
178.02652	0.8
179.03415	1.4
181.08607	1.1
185.00687	0.8
191.05524	17.6
209.11746	2.3
215.06987	0.7
227.12848	1.1
235.03694	0.7
238.98648	8.0
241.00252	3.5
256.99704	13.5
258.33636	0.7
283.19214	1.0
299.00806	13.8
300.01065	0.9
330.09885	0.8
342.99719	1.1
369.49411	0.8
389.85825	0.8
515.28790	1.3
557.29889	4.6
557.37402	1.1
595.24353	14.7
596.24933	1.8
637.25299	43.9
638.25714	6.6
681.24219	23.3
681.35339	1.4
682.24518	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	7.4
60.71554	1.0
61.98678	1.2
69.03304	1.1
70.73392	2.4
70.73743	1.0
71.01248	5.4
72.99178	0.9
73.02824	1.3
78.95760	0.9
85.02807	1.8
87.00768	2.0
89.02311	2.2
95.04923	1.8
97.06461	6.7
101.02314	4.6
113.02316	3.5
119.03319	1.1
121.06441	4.0
123.08038	30.9
124.08384	1.1
141.09106	56.6
142.09438	1.6
145.04982	1.0
161.04419	1.9
167.07007	4.5
179.06995	1.0
185.08144	5.9
191.05463	1.3
211.13319	2.5
235.08109	3.3
251.20232	1.2
253.09300	5.9
265.72775	1.0
277.21698	76.4
278.21988	7.9
279.22992	1.0
403.16058	3.9
421.17075	4.6
681.38470	100.0
682.38885	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	9.0
61.16360	1.0
61.98693	2.1
69.03307	1.5
71.01254	4.4
73.02802	1.4
83.04867	1.4
83.82656	1.0
85.02815	2.4
89.02312	4.3
91.25702	1.2
97.06474	2.4
98.20576	4.5
101.02305	3.3
113.02334	1.4
128.32938	1.2
142.79036	1.1
151.11191	15.0
152.11539	1.5
161.04422	2.6
169.12253	100.0
170.12608	4.4
195.10098	1.3
204.65660	1.1
213.11224	12.2
230.97343	1.8
235.08151	1.6
249.18562	22.5
253.09259	3.6
253.21674	1.3
257.95819	1.2
277.21768	3.2
290.50562	1.2
431.19183	3.2
449.20261	9.0
563.88812	1.2
648.75867	1.1
681.38519	86.3
682.38940	18.5
699.66315	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.3
59.01249	0.5
61.98702	100.0
62.70971	0.2
64.41912	0.2
67.57500	0.2
69.03334	0.3
70.05264	0.6
71.01247	0.6
72.99188	0.2
75.00753	2.5
85.02834	2.1
85.38609	0.2
86.25885	0.2
95.01247	0.2
95.31841	0.2
108.62614	0.2
113.02334	1.6
115.00361	0.2
127.93147	0.2
129.01836	0.3
146.42305	0.2
189.90271	0.2
190.48251	0.2
191.05576	0.4
201.27448	0.2
203.53432	0.2
222.20244	0.2
225.17062	0.2
439.32358	0.7
493.33478	0.2
539.33917	0.3
615.35364	12.9
616.35718	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.5
59.37012	1.3
69.03333	1.9
71.01265	4.3
71.52753	1.0
71.53157	1.4
72.10809	1.1
78.19836	1.3
85.02821	1.8
87.00755	1.6
89.02361	1.5
90.38309	1.2
93.03352	1.3
96.95883	10.7
97.06479	1.8
99.00769	4.3
101.02316	1.6
113.02356	2.0
116.86478	1.1
120.45818	1.2
122.06007	1.4
133.02855	1.8
134.15424	1.4
148.03993	1.6
151.00284	2.2
171.10161	3.9
177.01863	4.2
181.08571	1.4
185.00795	1.4
191.05580	8.9
197.08047	1.5
201.11266	2.6
203.01917	2.9
209.11786	3.8
211.08853	2.0
215.09064	1.2
253.09225	2.4
255.02921	9.6
256.03781	2.4
267.95911	1.4
283.02448	4.0
284.03256	96.1
285.03824	12.2
297.03909	4.9
298.04648	2.3
299.05612	100.0
300.05960	7.5
332.08578	1.4
374.76205	1.5
503.12106	2.4
545.10449	1.3
593.15271	3.9
635.16107	75.7
635.27161	3.3
636.16656	13.7
661.30792	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90573	1.2
57.03318	3.1
57.57664	1.1
59.01248	25.2
69.03326	6.6
71.01254	21.8
71.53766	2.4
72.99162	2.5
73.02799	2.9
79.95610	3.1
80.02573	1.2
81.03336	2.3
83.01268	2.5
83.04887	15.2
85.02812	6.4
87.00764	3.7
89.02307	8.6
93.03331	6.4
95.04898	3.4
96.95893	24.2
97.02846	4.9
97.03503	1.1
97.06480	4.4
99.00769	3.1
101.02329	9.4
109.06492	4.2
111.04365	1.3
111.08043	4.6
113.02347	6.0
115.00252	4.1
119.03388	2.5
125.02303	2.9
125.06011	2.4
125.09620	4.4
127.07561	1.2
133.01350	5.9
133.02824	1.3
134.99352	1.2
135.04413	1.4
135.08047	4.5
137.09654	2.4
139.07556	2.1
139.11194	1.8
141.01891	2.5
141.12708	1.6
155.10710	1.8
157.08617	11.9
161.04478	3.4
163.11151	2.1
167.10608	2.4
169.08603	13.8
171.10168	5.4
173.04478	2.8
179.05589	1.3
179.07141	1.5
181.08623	22.6
185.00841	1.7
185.11771	70.8
186.12137	3.3
191.05553	22.2
191.07156	2.0
192.05949	1.7
197.08194	1.6
199.09679	4.2
201.11281	4.6
203.01888	5.7
209.11790	33.8
210.12068	3.0
215.07266	1.3
225.11369	3.9
227.12807	4.4
229.10786	1.9
235.08232	3.5
237.15050	1.6
241.00270	4.3
253.09241	7.5
263.16711	1.3
281.17584	25.1
282.17996	1.8
397.13565	9.5
415.14603	12.2
457.28149	1.4
465.19946	3.1
593.22815	2.8
635.23492	6.6
647.29211	100.0
648.29498	20.2
661.30945	2.4
679.21936	4.3
679.32300	18.8
680.22131	1.9
680.32373	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.3
65.00176	1.4
67.01765	3.7
67.02064	0.5
68.99684	2.8
69.03329	0.8
69.49424	4.0
71.01236	2.7
73.02776	0.6
80.24921	0.5
83.01257	1.2
83.25957	0.5
85.02821	1.5
87.00727	1.0
87.04377	0.6
89.02300	0.9
93.03326	2.8
95.43687	0.6
96.95866	3.0
99.00734	2.9
101.02222	0.8
109.02835	6.2
109.99969	3.3
111.00762	4.8
113.02285	1.6
115.00255	1.8
116.92722	0.8
118.22531	0.5
121.02845	1.2
123.00758	1.1
133.02815	2.5
135.04419	10.3
135.57707	0.6
136.98686	3.2
137.02332	4.0
137.09566	0.7
137.99506	2.8
139.00276	14.6
143.04836	1.1
145.02861	1.3
146.03653	1.3
147.04341	1.1
149.05988	8.3
150.06598	0.7
151.11111	0.7
155.10681	6.8
157.01334	1.9
158.03511	0.9
159.04393	6.7
160.05164	2.1
161.02353	19.3
161.04747	1.0
161.05995	13.4
162.06218	0.6
163.00281	1.9
163.03894	1.2
165.01833	9.0
169.12187	1.7
171.10214	3.3
174.03148	2.4
175.03879	4.8
177.01848	5.8
177.05423	4.0
179.03352	1.0
181.08617	1.4
185.00845	0.7
185.05960	2.0
187.03928	8.8
188.04738	7.4
189.01852	0.9
189.05515	4.8
191.03809	0.7
191.05556	5.4
193.04929	0.9
199.09692	2.4
201.05475	2.0
202.05873	0.7
203.03436	1.7
203.07068	4.3
205.04932	1.3
206.02139	1.2
209.11685	4.0
211.03806	0.6
213.05492	3.1
215.03369	1.0
216.04190	0.7
219.02945	2.7
221.04501	1.8
227.03499	1.0
227.12862	2.0
228.04184	0.6
229.05017	4.5
231.02985	8.8
231.06541	11.6
232.03156	0.6
233.04558	5.1
237.03952	1.5
245.04486	1.5
247.06197	1.1
256.03824	0.7
257.00998	2.8
257.04556	6.2
257.34930	0.7
259.02444	29.1
260.02805	1.9
274.04852	1.3
275.05588	4.9
277.03513	3.0
283.11691	0.9
289.03491	1.0
292.65369	0.7
301.03433	3.7
319.04602	3.0
340.35812	0.6
428.97852	0.7
482.97983	0.6
595.24133	0.8
601.20300	0.9
619.20184	1.2
621.18427	2.0
622.18799	0.8
637.24884	0.8
649.30786	3.7
650.30865	0.8
663.19281	100.0
664.19629	18.4
681.23981	0.9
681.35309	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.4
57.03307	0.9
58.00469	2.1
59.01249	39.0
60.01573	0.4
61.44709	0.3
61.98707	0.6
68.99677	0.5
69.03323	2.3
70.10286	1.4
71.01251	36.0
72.99180	2.7
73.02443	0.5
73.02818	5.2
75.00735	0.8
78.95768	0.4
81.03342	1.6
83.01247	3.7
83.04912	0.4
84.02061	0.4
85.02821	7.3
86.99831	0.4
87.00748	8.5
87.04383	0.3
88.07298	0.3
89.02313	27.8
90.02657	0.4
91.03851	0.5
93.03342	0.5
95.01245	2.2
96.20377	0.3
97.02821	6.4
99.00770	2.5
99.04393	0.4
100.35270	0.3
101.02321	28.8
102.02635	0.5
103.00217	0.3
103.03841	0.5
109.02806	0.9
111.00764	0.5
111.04388	0.7
113.02330	14.0
115.03894	0.6
119.02573	0.7
119.03381	9.5
121.02809	0.6
123.04392	0.4
125.02328	11.6
127.03922	0.4
131.03360	1.7
133.04973	1.1
139.03897	1.1
141.01894	0.8
143.03413	5.8
145.42952	0.3
149.04453	0.8
161.04454	5.8
163.03917	0.5
167.03397	0.5
179.05519	5.6
185.04404	0.5
191.05649	0.4
195.64874	0.4
196.62498	0.3
199.06104	0.5
209.11731	0.6
217.07071	1.1
219.04974	0.5
221.06525	2.4
235.08195	13.8
236.08435	0.6
245.06653	0.9
253.09309	3.1
261.22235	0.5
263.07733	1.4
277.09317	1.1
279.23273	100.0
280.23605	10.0
287.07666	3.8
305.08786	3.9
323.09781	1.6
361.11316	0.4
379.12277	0.8
397.13477	74.5
398.13800	6.7
415.14557	29.8
416.14951	2.0
460.56110	0.4
545.03522	0.3
559.09741	0.4
577.26556	0.5
595.28638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02852	0.3
63.54461	0.2
69.57996	0.1
74.98566	0.1
80.04955	0.2
81.02834	0.3
81.03329	6.6
83.04894	17.3
84.05212	0.4
95.93081	0.1
96.95885	0.2
98.20567	0.3
98.78885	0.1
100.07542	0.2
107.06025	0.3
108.04420	0.4
114.41080	0.1
115.75145	0.1
125.07096	1.1
126.05487	0.3
135.52466	0.1
137.71429	0.1
143.08133	0.8
169.54219	0.1
191.05577	0.4
193.10138	0.1
207.14952	1.6
208.13379	0.3
208.15298	0.2
222.16133	0.2
224.17622	2.8
225.16031	11.6
226.16357	0.6
229.14859	0.2
241.00554	0.2
242.18697	0.8
249.38087	0.1
290.22446	0.2
291.20624	0.2
307.24091	0.2
309.21808	0.6
324.26462	0.7
333.22849	0.9
339.27780	0.2
341.29178	1.1
342.29590	0.2
351.23843	0.2
367.27118	1.2
385.28091	0.4
407.34100	0.2
433.31668	1.2
434.31906	0.2
450.34488	1.6
451.32883	5.3
452.33212	0.7
550.42944	1.0
559.39362	0.4
565.44562	0.4
593.44037	0.5
633.28052	0.2
659.48505	1.2
660.49048	0.3
677.49652	100.0
678.49945	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71712	0.3
59.01251	100.0
59.20256	0.3
60.01579	0.8
61.98701	0.3
64.58738	0.3
74.86454	0.3
75.54775	0.3
78.95767	0.6
80.44523	0.3
152.99513	0.4
183.62007	0.3
184.64856	0.4
277.21765	0.5
311.70193	0.3
327.49387	0.4
440.70016	0.3
442.69821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.2
63.02262	2.9
65.00188	4.8
67.85780	0.7
69.03318	1.2
69.40943	5.5
69.41365	1.0
71.01237	2.2
72.58147	0.7
79.95602	1.2
83.01271	4.2
85.02826	1.3
93.03333	12.6
95.01331	1.0
96.95902	4.9
98.19851	1.6
101.02348	1.1
107.01273	13.2
108.11797	0.7
113.02330	1.0
121.02813	1.4
123.08058	0.8
124.01608	1.0
136.01526	1.1
137.02353	14.0
148.01566	2.2
149.99403	1.0
151.00276	40.8
152.00688	1.4
163.00267	2.3
164.01038	1.9
169.01355	4.0
175.00313	2.9
178.99767	1.2
179.03333	2.6
187.03915	0.8
191.05476	4.0
199.03899	1.3
209.08113	0.9
211.04037	0.9
215.03470	1.0
216.04126	1.3
216.14362	0.8
225.11429	0.9
227.03435	3.0
228.04152	1.2
232.73035	0.8
239.05556	1.3
241.14644	0.8
243.02974	4.3
244.03685	1.2
255.02937	2.7
256.03720	2.9
271.02469	15.2
272.02985	3.2
281.06543	2.2
282.01627	1.4
283.02484	3.3
285.03943	1.2
287.05643	2.2
299.01962	25.5
299.05392	1.7
300.02728	61.6
301.03461	28.5
302.03876	2.4
313.03610	1.9
314.04361	9.9
315.05096	100.0
316.05380	9.5
317.74411	0.9
336.27798	0.9
357.06006	1.6
582.09827	3.1
583.10425	1.0
597.12524	95.1
598.12787	17.4
677.08173	33.5
677.17572	0.8
678.08344	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70224	1.7
54.29412	1.5
54.65344	1.6
54.74183	1.4
59.01245	13.7
69.03306	2.0
69.30444	4.2
69.30851	9.5
71.01246	8.9
72.99177	2.6
75.00744	2.6
79.95588	2.2
81.03352	1.8
83.01268	1.8
83.04894	14.2
85.02821	7.7
85.92795	1.5
87.00767	4.2
88.16493	1.7
89.02321	3.6
93.03310	7.7
96.95889	11.4
101.02323	6.3
109.06483	2.6
113.02335	4.2
117.06042	1.5
125.06078	1.6
131.57819	1.7
135.04416	1.9
135.08031	3.0
137.09590	1.3
163.11191	3.2
165.12747	2.2
169.12268	1.5
171.10185	5.1
173.04443	2.5
181.08615	45.3
182.08940	3.7
184.12231	1.6
186.30690	1.5
191.05544	24.0
192.05957	2.1
197.11787	1.8
199.09712	7.7
209.11763	100.0
210.12173	7.8
225.11261	2.1
227.12860	17.3
229.14294	1.5
235.08145	2.0
253.09322	12.7
311.47720	1.6
445.20932	1.8
599.06720	1.7
627.30212	2.7
659.27893	3.0
677.34412	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97920	0.2
55.01754	0.9
57.03323	1.5
57.24878	0.2
58.00465	1.9
59.01250	39.3
60.01592	0.6
60.97351	0.2
61.33179	0.2
61.98691	0.2
67.01749	0.2
68.70219	0.2
68.99677	0.5
69.03323	2.0
71.01250	33.7
72.01607	0.6
72.99184	2.4
73.02817	5.7
75.00750	0.9
81.03313	1.5
82.89339	0.2
83.01258	3.5
83.04908	0.5
85.02822	7.1
85.99964	0.2
87.00747	8.5
87.04358	0.4
88.01060	0.2
89.02316	28.4
90.02646	0.5
91.03899	0.9
95.01266	2.2
97.02828	5.9
99.00747	2.0
99.04397	0.4
101.02319	28.9
102.02658	0.5
103.03863	0.4
109.02819	0.7
111.00771	0.6
111.04382	1.0
112.01573	0.3
113.02327	13.9
114.02677	0.4
115.03890	0.6
119.03384	9.3
121.02833	0.6
123.00775	0.3
123.04392	0.3
124.01556	0.4
125.02335	11.5
127.03881	0.4
129.01837	0.4
131.03362	1.5
133.04962	1.0
135.04399	0.3
139.03905	1.1
141.01830	0.5
143.03406	5.4
149.04463	0.8
161.04456	6.4
167.03394	0.8
169.04958	0.5
171.02863	0.3
179.05525	6.0
185.04431	1.0
199.06012	0.4
203.05557	0.7
209.11722	1.0
217.07106	1.3
219.05025	0.4
221.06635	2.1
235.08191	12.9
236.08411	0.3
245.06644	0.9
249.18591	0.7
253.09290	3.0
261.22144	0.4
263.07703	1.6
277.09213	0.8
279.23273	100.0
280.23630	8.9
287.07715	2.8
293.24887	0.4
305.08734	3.2
323.09875	1.2
352.99533	0.2
361.11325	0.4
379.12109	1.0
397.13477	72.7
398.13858	5.7
398.18390	0.1
415.14563	29.1
416.14856	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.0
57.03326	1.0
58.00469	2.4
59.01249	53.9
60.01591	0.4
68.99694	0.4
69.03323	2.5
71.01253	40.5
72.01588	0.9
72.99183	2.5
73.02818	6.8
73.81097	0.4
75.00742	0.9
81.03326	1.2
83.01247	4.1
83.04929	0.5
85.02821	8.6
86.00014	0.4
87.00748	9.9
89.02315	37.9
90.02675	0.5
91.03866	0.9
91.76164	0.3
93.03335	0.5
95.01260	2.8
95.04841	0.3
97.02828	8.0
99.00745	2.4
99.04389	0.8
101.02321	34.3
102.02649	0.6
103.00292	0.5
109.02842	0.8
111.04409	0.8
113.02328	18.9
115.03889	1.1
119.03384	11.7
121.02811	0.8
123.04469	0.5
125.02334	14.3
127.03948	0.5
131.03391	2.0
133.04965	1.4
139.03911	1.1
141.01855	0.7
142.96313	0.4
143.03407	7.3
149.04472	1.3
157.04944	0.4
161.04465	7.5
162.04810	0.4
167.03406	1.0
169.04971	0.6
171.03014	0.4
179.05537	7.1
179.06999	0.6
185.04463	0.8
199.06021	0.6
202.99310	0.4
203.05547	0.9
217.07187	1.2
219.04973	0.6
221.06610	3.7
233.22545	0.5
235.08194	16.5
236.08716	0.5
245.06587	1.1
253.09271	4.3
263.07684	1.8
277.09235	1.2
277.21713	100.0
278.22055	11.3
287.07758	4.0
305.08746	4.5
323.09781	2.2
361.11484	1.0
379.12589	1.1
380.13034	0.4
397.13483	82.5
398.13821	7.2
415.14566	36.4
416.14996	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.3
57.03337	1.1
58.00466	2.5
59.01250	51.1
60.01601	0.4
60.19757	0.2
68.99676	0.5
69.03326	3.0
69.74620	0.2
71.01253	42.2
72.01579	0.5
72.99179	2.5
73.02818	7.4
73.15120	0.2
73.54911	0.2
75.00759	0.9
81.03323	2.1
83.01254	4.7
83.04883	0.4
85.02819	9.0
85.99971	0.5
87.00751	10.3
87.04395	0.3
89.02316	37.7
90.02631	0.6
91.03888	1.0
93.03311	0.3
95.01269	2.8
95.04877	0.2
97.02826	7.3
97.06477	0.2
98.03168	0.2
99.00753	2.2
99.04387	0.5
101.02322	34.8
102.02668	0.8
103.00247	0.3
103.03892	0.3
107.91579	0.2
109.02848	0.8
110.26354	0.2
111.00738	0.5
111.04406	1.3
112.01520	0.2
113.02330	18.3
114.02637	0.3
115.03914	0.8
119.03389	11.0
121.02831	0.8
123.00771	0.4
123.04448	0.4
124.01600	0.4
125.02336	14.4
126.02670	0.3
127.03898	0.4
127.07568	0.4
129.01837	0.3
131.03397	2.2
133.04985	1.2
137.02336	0.5
139.03899	1.2
141.01839	0.9
142.02611	0.2
143.03404	7.1
144.03790	0.3
149.02361	0.2
149.04446	1.2
157.04991	0.4
159.02856	0.2
161.04466	7.2
162.04803	0.3
167.03389	0.6
169.04958	0.6
171.02855	0.3
173.38065	0.2
179.05527	7.5
185.04497	0.9
199.06064	0.7
203.05525	0.5
205.19521	0.2
217.07130	1.5
219.04990	0.6
221.06618	3.2
227.05486	0.2
233.22792	0.3
235.08183	16.5
236.08595	0.6
245.06607	0.9
245.37427	0.2
253.09259	3.8
258.51157	0.2
259.20605	0.6
263.07721	1.9
275.20129	0.3
277.09476	1.2
277.21710	100.0
278.22070	9.5
287.07721	3.5
288.08133	0.2
288.67966	0.2
291.23444	0.2
305.08774	4.0
306.08957	0.3
323.09821	2.0
339.02277	0.2
361.11353	0.6
379.12451	1.2
397.13474	82.8
398.13837	7.0
415.14545	35.7
416.10165	0.3
416.15005	3.2
565.62994	0.2
675.35217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.4
57.03313	0.8
58.00458	2.3
59.01254	36.5
61.98705	2.0
68.99696	0.7
69.03331	3.9
71.01255	38.1
71.53202	0.8
72.01592	1.1
72.99171	3.0
73.02820	8.3
75.00748	1.7
78.95773	9.7
81.03336	3.7
83.01267	5.3
85.02824	11.9
86.72498	0.7
87.00748	24.5
89.02320	27.2
91.03899	1.5
93.03340	1.0
93.09538	0.7
95.01256	3.4
96.96870	0.8
97.02821	7.4
99.00756	3.2
101.02327	38.4
102.02686	0.8
103.00256	1.2
109.02783	1.8
113.02335	20.1
119.03379	8.0
121.02835	1.1
125.02342	17.1
127.03914	1.3
131.03374	1.7
141.01801	0.9
143.03401	8.7
149.04430	0.9
152.99525	6.3
161.04482	8.7
167.03444	0.8
171.02966	1.0
179.05513	7.5
187.07553	0.8
191.05508	3.7
197.11797	0.7
209.11748	2.1
218.61932	0.6
221.06544	3.8
225.11375	1.8
235.08214	19.4
236.08585	1.1
245.06721	1.0
247.07744	0.7
253.09253	11.8
259.20663	1.0
263.07614	1.4
275.19946	0.9
277.21719	100.0
278.22064	10.2
287.07715	4.8
291.23251	1.8
295.22778	2.4
305.08810	6.0
323.09708	4.8
397.13498	48.8
398.13812	5.1
415.14578	53.2
416.14896	5.4
431.22113	1.1
487.54309	0.8
657.34235	2.1
675.35193	4.8
676.35480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	7.9
68.99680	5.4
71.01241	3.2
71.53590	3.4
72.99202	2.6
75.08398	2.6
79.95609	2.8
93.03323	3.8
94.06501	18.4
96.04424	3.1
96.95890	100.0
104.15664	2.1
106.06512	2.8
108.04449	4.4
110.08986	2.3
113.02419	2.5
116.04966	2.3
121.05243	3.0
122.05991	9.3
124.03937	19.9
124.07547	26.0
130.02872	3.4
132.04430	8.2
134.06013	5.1
136.04056	3.8
136.07590	58.6
148.03993	4.9
148.07658	3.5
153.04234	2.7
158.02359	17.1
160.03923	10.1
162.05537	4.2
164.07060	3.5
166.08655	52.7
167.03374	7.8
167.08963	3.0
168.06548	10.7
176.03465	5.1
179.77252	2.7
180.06529	5.8
185.00854	2.9
190.05022	82.8
191.05513	24.9
192.06618	19.5
194.08124	7.8
202.05000	4.7
203.08060	3.5
204.06491	3.4
215.08113	3.0
217.09758	6.0
231.11356	5.2
239.11888	7.9
241.09854	4.8
255.11066	2.7
257.12848	2.8
265.09714	4.4
275.10379	3.4
276.11121	6.1
277.11798	10.3
281.09317	3.3
283.10880	7.9
295.10651	5.0
297.12381	9.7
313.11902	7.2
315.05127	5.4
323.10385	3.1
327.09854	2.7
327.13452	52.4
328.13873	8.9
329.15067	12.8
337.03418	3.0
339.13535	5.4
367.12994	6.3
369.14474	13.1
397.14044	82.8
398.14355	13.1
399.15631	12.1
415.10367	3.1
444.16080	3.1
476.18320	8.1
496.20892	4.5
506.19333	8.6
538.22107	10.6
539.22003	4.5
566.21234	5.7
573.23419	13.0
581.23877	8.7
605.26245	16.0
606.26416	4.4
613.26581	16.1
614.26520	8.1
625.22913	12.8
631.27692	18.1
632.27856	3.8
643.23999	29.7
644.24030	2.8
657.25287	10.7
675.26703	60.2
676.27216	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34267	1.1
59.01250	29.3
61.98686	3.8
69.03320	4.2
71.01246	10.4
71.45238	1.2
73.02821	2.0
79.95593	1.3
80.02531	3.7
80.96388	1.1
81.03327	7.2
83.01254	3.2
83.04896	22.8
84.02039	2.7
85.02823	6.7
87.00749	3.5
89.02309	5.5
93.03331	10.1
95.01278	1.4
95.04881	2.8
96.95885	17.5
97.02817	7.0
97.06480	2.3
98.95478	7.4
99.00783	1.9
101.02318	7.3
103.00282	2.2
106.04167	1.1
107.04927	1.4
109.06475	33.5
110.03602	1.6
113.02320	3.9
119.03323	1.4
121.06458	3.1
123.04391	2.2
125.09632	1.8
133.02817	1.6
133.06464	1.9
135.04382	4.4
135.08049	16.9
136.05209	1.3
137.09607	2.8
142.02657	1.1
143.03360	1.7
143.06995	1.5
145.04968	1.2
161.04468	2.8
161.05856	1.2
161.09593	1.6
163.07542	3.0
163.11197	22.0
164.11476	2.5
165.12761	3.0
169.08632	1.9
171.10132	3.3
173.04535	2.8
179.07022	10.0
181.08615	57.2
181.12201	4.4
182.08896	2.0
185.00935	1.4
185.11758	2.9
189.09146	1.8
191.05533	19.9
197.08101	5.2
197.11768	4.5
199.09738	8.2
203.02043	1.3
203.06841	1.3
207.10201	76.5
208.10527	4.8
209.11766	100.0
210.12114	37.2
211.12286	10.9
221.11745	1.8
225.08986	1.9
225.11259	40.1
226.11571	2.7
227.12833	16.5
228.13126	4.5
229.13525	1.7
235.08130	5.0
247.13126	1.5
253.09248	23.8
254.09564	1.7
275.40872	1.4
327.19693	1.5
365.06979	1.1
371.18716	6.1
389.19656	4.8
399.28906	1.2
443.19272	3.2
461.20325	17.4
493.49698	1.2
588.30072	2.1
589.30829	7.4
607.27655	10.9
608.27844	2.5
625.28510	10.7
626.28967	2.2
631.31091	4.5
643.29712	20.4
644.29907	4.6
658.23755	3.1
675.30927	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69076	6.0
59.01249	100.0
61.98698	28.3
71.01237	8.5
71.52969	7.0
71.84065	5.9
75.41982	6.2
78.95786	27.2
81.16041	5.7
109.06490	9.2
126.87775	7.7
152.99478	11.2
203.29446	6.9
207.10309	11.5
211.13373	15.5
218.15508	8.9
249.18646	12.1
253.09315	6.3
277.21634	17.8
300.04813	6.2
304.76630	7.1
322.75430	6.9
397.13400	9.7
459.16656	6.7
538.85107	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02983	0.4
55.01748	0.4
59.01247	8.8
61.15992	0.3
61.98693	2.1
69.03325	1.1
71.01244	2.8
72.99158	0.4
73.02813	0.8
75.00775	0.3
79.95609	3.6
80.02536	0.6
80.96376	0.9
81.03352	0.7
81.95189	0.5
83.01234	0.6
83.04904	4.7
84.02045	0.7
85.02817	1.6
87.00774	0.6
89.02306	1.2
93.03323	1.0
94.97928	0.4
95.04932	0.4
95.16260	0.4
96.95890	44.9
97.02814	0.7
98.95478	3.0
98.96081	0.5
99.00764	0.8
101.02327	2.1
103.00246	4.7
113.02308	1.5
122.06033	0.6
125.05919	0.5
125.09774	0.4
132.36711	0.4
133.02808	0.4
135.04413	0.7
135.08029	0.9
138.96944	0.5
141.01839	0.7
152.98540	0.7
161.04463	0.5
163.11189	3.3
164.98619	0.9
165.12743	2.3
171.10201	2.6
180.98076	0.7
181.12238	0.5
191.05597	3.6
191.10661	0.6
195.74654	0.4
198.99167	0.4
203.02029	0.4
209.11771	100.0
210.12123	5.5
221.11815	0.5
226.07309	1.1
227.12842	13.3
228.13152	0.9
235.08232	1.5
238.07239	0.5
239.08315	0.9
241.00235	1.6
242.03287	0.4
247.13345	1.4
253.09337	5.8
254.07013	0.6
255.11375	1.6
266.06931	0.5
267.07712	1.2
268.08530	1.0
269.09271	0.5
269.12329	0.4
281.09189	2.0
282.10031	1.9
309.08582	0.5
313.08282	0.6
317.40549	0.4
317.90067	0.4
336.02795	0.5
376.16498	0.6
403.15335	2.6
404.16275	2.3
419.24298	0.5
431.14951	0.7
432.15320	0.7
435.18097	0.5
445.20810	0.6
463.17526	3.3
464.18109	2.9
465.18164	0.6
569.23492	0.7
585.29517	0.5
587.30957	31.2
588.31256	4.1
629.32355	12.7
630.32727	1.9
637.32098	0.6
655.31281	0.4
673.21088	1.8
673.31006	20.4
674.21039	0.7
674.31360	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	12.1
59.64645	0.4
61.13280	0.4
66.92926	0.4
69.03318	0.4
70.66462	1.0
71.01249	1.3
73.02814	0.7
79.95605	6.9
80.96389	2.5
85.02824	1.8
89.02317	0.4
90.39514	0.4
92.00473	0.4
93.03323	0.4
95.95069	0.7
96.95885	100.0
97.95837	0.6
101.02335	1.1
103.00249	6.9
118.23827	0.4
120.95921	0.5
127.23046	0.4
135.04381	0.7
137.19298	0.4
138.96971	1.6
144.15359	0.5
150.96951	0.6
152.98529	1.8
164.98602	2.2
180.98071	2.0
191.05486	2.1
198.99138	0.7
209.11829	2.2
227.12871	1.5
241.00201	5.0
292.55087	0.5
405.64597	0.4
465.69357	0.4
569.29987	2.1
587.31024	65.4
588.31403	11.0
588.38660	0.3
629.32062	23.4
630.32324	4.2
655.29785	1.0
673.31042	37.4
674.31384	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24075	0.3
51.37742	0.3
55.01753	0.6
55.23399	0.3
58.76343	0.3
59.01248	8.3
61.98691	1.7
63.56838	0.4
69.03320	1.2
71.00912	0.4
71.01248	3.0
72.99183	0.5
73.02822	0.6
78.95748	0.4
79.95603	3.6
80.02547	0.8
80.96386	1.3
81.03329	1.4
83.01260	0.6
83.04892	4.7
84.02012	1.0
85.02801	1.9
87.00721	0.6
87.46354	0.4
89.02304	1.4
91.28976	0.5
93.03339	0.9
95.04903	0.5
95.95125	0.4
96.40422	0.4
96.95885	44.7
97.02825	0.7
97.58224	0.3
98.19740	0.9
98.95472	2.9
98.96084	0.5
101.02303	2.4
103.00250	3.6
113.02306	1.2
119.03477	0.5
122.06020	0.4
135.04378	0.5
135.08051	0.6
136.90559	0.4
138.75343	0.3
138.96942	0.7
141.01805	0.5
152.98514	0.8
161.04550	0.9
163.11174	3.4
164.98512	1.1
165.12758	1.9
171.10197	2.8
173.04498	0.5
180.97961	0.8
185.00929	0.4
191.05582	2.5
191.10683	0.7
199.13306	0.5
209.11760	100.0
210.12097	5.9
215.04559	0.4
221.11870	0.7
223.74684	0.4
226.07433	1.3
227.04591	0.5
227.12842	13.9
228.13269	0.9
229.06093	0.4
235.08176	1.8
237.06633	0.4
238.07457	0.7
240.08955	0.8
241.00154	1.8
247.13402	1.9
253.06419	0.7
253.09224	5.5
254.06938	0.5
255.11234	1.0
265.14395	0.6
267.07544	0.8
268.08469	0.9
281.09283	1.4
282.10080	2.3
283.10559	0.8
295.07281	0.6
309.08789	0.7
313.08389	0.6
376.16455	0.9
401.23254	0.5
403.15317	2.6
404.15939	1.3
412.07898	0.4
419.24496	0.5
420.15527	0.5
432.15601	1.2
435.17804	0.6
436.14996	0.5
445.20969	0.6
463.17377	3.7
464.18158	3.5
509.14020	0.5
586.29016	0.6
587.30902	30.9
588.31372	4.7
629.32251	12.6
630.32477	2.4
637.32404	1.0
673.21271	1.6
673.31049	19.9
674.21790	0.5
674.31586	3.2
690.11023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04776	0.4
57.03332	0.5
59.01253	8.5
60.01586	0.7
61.98714	0.5
69.03328	1.2
71.01249	2.9
71.33674	0.7
73.02812	0.9
76.47723	0.5
79.85876	0.4
79.95609	3.2
80.02534	0.9
80.96385	1.2
81.03323	1.3
81.95186	1.2
83.01222	0.5
83.04899	4.6
84.02056	0.7
85.02814	1.2
87.00747	0.7
89.02333	1.0
93.03323	1.4
95.04900	0.4
96.95892	33.8
97.02850	0.7
97.95831	0.5
98.95470	13.6
98.96304	2.4
101.02341	2.8
103.00244	3.4
111.04382	0.4
113.02322	1.2
119.03422	0.4
125.02293	0.6
125.06026	0.4
135.04414	1.1
135.08096	0.5
136.72084	0.5
152.98550	0.5
154.98125	0.4
161.04488	0.7
163.11198	3.3
164.98572	1.1
165.12747	2.6
166.98137	0.4
171.10170	3.2
179.03372	0.4
180.98006	0.5
181.12234	0.8
182.97496	0.5
191.05547	3.4
191.10744	1.3
192.05936	0.5
199.13295	0.6
203.02045	0.4
209.11772	100.0
210.12099	5.9
221.11649	0.6
225.11324	0.7
227.12845	12.0
235.08182	1.9
241.00200	1.6
242.99902	0.7
247.13361	1.0
253.09233	5.4
265.14392	0.6
445.21011	0.7
557.28491	1.2
585.29358	1.5
586.29620	2.8
587.29883	25.1
588.30200	2.8
627.30151	0.5
628.30634	0.8
629.31000	13.0
630.31366	1.4
637.32281	1.0
673.18646	0.9
673.29993	19.1
674.30048	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84511	0.5
57.03315	2.1
58.00456	0.9
59.01250	22.0
61.98700	1.2
69.03330	7.2
70.29365	0.7
71.01251	9.7
71.33457	1.3
72.99177	1.5
73.02817	2.8
76.91062	0.5
78.95785	1.3
79.95604	2.4
80.02547	2.1
80.96378	0.8
81.03328	4.4
83.01250	0.8
83.04892	7.5
84.02060	1.0
85.02813	5.3
87.00748	1.7
89.02316	5.2
93.03319	3.1
95.01263	1.1
95.04897	2.2
96.95889	29.7
97.02844	7.8
97.06451	1.0
98.95473	1.9
99.00755	2.5
99.26366	0.7
101.02328	7.9
103.00236	3.0
103.03881	1.1
107.04899	1.3
109.02731	0.7
109.06476	20.9
110.03612	1.3
111.04412	1.7
113.02318	2.5
119.03384	1.8
121.06462	1.7
123.08058	1.7
125.02362	0.6
125.05968	1.1
125.09639	3.0
133.02817	1.7
133.04979	0.7
134.03609	0.9
135.04408	2.2
135.08086	3.6
136.05185	1.0
136.08412	0.7
141.01884	1.5
142.02576	1.2
143.03452	0.8
145.04990	0.7
149.09636	0.7
152.98506	0.7
152.99568	0.8
161.04428	1.7
161.09621	1.4
163.11200	15.3
164.11571	1.1
165.12753	3.1
165.14084	0.5
167.07030	0.9
168.77255	0.6
169.08543	0.7
171.10172	10.3
173.04436	0.7
177.01860	1.0
179.03314	0.6
181.08583	0.8
181.12296	4.0
185.00865	2.9
185.11787	2.8
187.07506	0.9
187.33516	0.6
189.09123	1.5
191.05550	3.8
191.10661	1.7
197.11702	0.9
201.11337	1.2
202.99895	1.3
203.01935	2.0
207.10207	54.9
208.10504	3.3
209.11772	100.0
210.12125	7.0
221.11774	1.0
223.13313	1.1
225.11285	27.6
226.11586	1.7
227.12863	12.5
227.14958	0.3
228.13310	1.0
228.42755	0.6
231.10184	1.0
235.08226	3.7
235.13332	0.8
241.00092	1.0
243.12404	1.1
245.11873	0.8
247.13306	0.7
249.11334	1.5
253.09265	9.9
255.03000	2.7
255.23131	1.1
263.12860	2.4
265.14600	1.0
267.03030	1.5
268.03632	1.0
269.04550	1.6
279.02869	2.7
280.03650	1.2
281.04562	3.7
281.14297	0.7
281.17593	0.8
282.05075	0.9
283.02490	2.1
284.03262	1.6
295.02499	0.6
296.03275	1.2
297.04013	1.7
298.04779	1.4
299.15051	0.9
307.02475	2.8
308.03244	6.7
309.03989	3.2
311.05573	0.8
319.06223	0.8
319.95807	0.6
325.03442	1.0
335.01688	0.8
336.02661	9.6
337.03445	3.8
337.06857	0.7
338.04315	0.8
350.04279	0.7
373.23987	1.2
381.09879	4.1
381.20447	1.2
382.10712	0.6
393.10010	1.0
399.21860	6.2
400.21927	0.7
405.09778	6.2
405.17374	0.6
406.09949	0.8
407.11447	3.9
410.06366	6.6
411.06717	1.3
417.22879	5.1
418.23444	0.6
423.10828	1.8
433.09262	5.7
434.09747	1.2
435.23801	0.8
443.19156	3.4
445.20645	0.9
461.20264	8.9
462.20880	0.7
463.14334	0.7
489.12051	1.0
502.15640	0.7
507.12933	21.0
508.13333	5.0
569.17206	0.8
574.13074	1.7
585.29364	21.1
586.29840	2.6
627.30353	10.2
628.30872	1.4
635.30811	8.3
636.31458	1.9
653.31842	12.7
654.32031	2.5
671.19763	14.6
671.32062	27.0
672.20831	5.2
672.32532	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72450	1.1
57.03318	6.4
58.00464	2.2
59.01250	51.4
61.98685	2.1
66.37455	0.9
69.03330	6.2
69.89203	4.7
71.00960	1.1
71.01260	13.0
72.99169	4.3
73.02811	6.2
79.24998	0.8
79.95589	3.8
81.03326	1.3
83.01233	1.7
83.04884	1.9
85.02825	13.0
89.02322	7.8
91.01792	1.1
93.03327	1.6
95.95087	1.6
96.95887	45.9
96.96514	2.3
97.02827	3.3
98.95515	1.8
99.00733	1.8
101.02330	8.9
103.00240	2.5
103.03900	4.9
109.06470	3.7
113.02325	3.7
115.03845	1.3
119.03336	2.0
122.06022	1.1
133.02832	1.8
135.04422	2.1
141.01889	1.1
145.02794	1.1
150.97029	1.1
152.07133	1.2
163.00252	1.2
163.11189	3.0
166.83127	1.1
171.10165	6.2
175.00279	1.7
177.01854	3.3
185.00780	4.1
191.05540	4.1
201.01918	1.4
202.99786	4.6
203.01801	2.5
207.10207	10.1
209.11771	18.9
225.11264	7.8
227.12817	2.8
240.04099	1.2
251.03462	2.9
253.09224	2.8
255.02995	18.7
256.03488	1.6
265.05038	1.3
265.09726	1.2
267.02963	6.9
268.03653	2.8
269.04541	7.1
279.02975	16.5
280.03683	5.6
281.04520	15.8
282.05078	1.9
283.02487	7.3
284.03137	3.6
293.09308	1.7
295.02429	3.6
296.03287	6.4
297.03946	8.2
298.04721	3.0
307.02472	16.2
308.03238	28.1
309.03979	15.9
310.04605	4.4
321.04016	1.9
322.04822	2.0
324.02658	2.1
325.03268	2.8
335.01929	4.1
335.05591	2.5
336.02737	44.8
336.06757	2.3
337.03461	12.4
337.07083	1.5
338.03918	2.0
339.05206	1.1
362.56424	1.2
381.09814	19.3
382.10336	1.6
393.09888	6.5
405.09772	33.8
406.10004	3.5
407.11368	19.1
408.11612	3.1
410.01202	2.2
410.06387	27.8
411.06561	2.9
421.08875	1.5
423.10690	10.1
424.11075	1.5
433.09241	22.3
434.09714	4.7
435.10931	2.3
461.12289	1.4
461.20135	1.3
463.13718	3.5
465.11542	1.9
479.13702	1.4
489.11902	4.0
507.12952	100.0
508.13290	15.4
525.49670	1.1
551.17999	1.1
563.22888	1.2
569.16492	7.3
570.16699	1.5
574.12939	6.5
575.13940	1.1
585.20319	2.2
585.29272	25.9
586.29938	2.8
627.21289	1.7
627.30493	11.3
635.30853	2.7
639.24255	1.8
653.31482	2.1
671.19714	88.9
671.30194	17.9
672.19910	17.7
672.29712	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2956
Annotation	Vateamine 2'beta-N-oxide
Peak:m/z	Relative Intensity
59.01251	12.3
63.17380	0.5
70.88289	0.6
71.01261	1.3
71.11093	0.5
71.11398	0.7
79.94080	0.5
79.95605	7.3
80.70934	0.5
80.96397	2.7
85.02814	1.4
95.95097	0.8
96.95889	100.0
99.00777	0.7
101.02312	1.5
103.00239	7.4
111.46565	0.5
113.02357	0.7
122.97441	0.5
138.96957	2.1
150.06787	1.0
150.96936	0.8
152.98538	1.5
164.98549	2.8
180.98059	1.4
191.05571	0.6
198.99037	1.1
209.11742	0.9
212.48329	0.5
225.11322	0.6
226.46519	0.5
233.35898	0.5
241.00221	4.3
256.99686	0.6
336.02713	1.0
410.06567	0.5
507.12790	1.6
509.34967	0.6
555.28455	4.4
556.28955	0.8
585.29480	64.5
586.29773	12.3
597.30072	0.6
627.30511	28.9
628.30798	5.5
653.28046	0.7
671.20587	1.5
671.29608	43.3
671.39960	2.8
672.20679	0.4
672.29993	10.6
672.40411	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.5
59.00953	1.2
59.01249	20.3
65.43587	0.6
69.03324	3.3
69.37405	0.6
70.55590	2.1
71.01256	5.7
72.99167	1.0
73.02814	1.8
75.02923	0.6
78.72021	0.7
78.95774	1.2
79.95605	9.7
80.96390	2.8
83.04913	0.9
85.02824	3.3
89.02306	2.2
93.03335	1.2
95.95109	0.8
96.95886	100.0
97.02827	2.2
99.00758	1.0
101.02325	3.1
103.00249	10.3
103.03848	0.8
109.06491	1.3
113.02333	1.3
116.67056	0.7
118.09390	0.6
135.04337	1.4
138.96985	1.0
141.01776	0.8
152.98459	1.1
152.99559	1.0
163.11188	1.8
164.98532	3.5
171.10231	1.6
180.98067	1.9
185.00838	2.6
191.05521	3.9
202.99823	1.3
203.01945	2.1
207.10231	5.7
209.11777	10.8
211.13368	1.1
225.11246	4.3
227.12805	1.4
229.14352	0.8
235.08157	0.7
241.00261	4.3
255.02904	4.2
255.23277	1.6
267.02863	1.0
269.04514	1.3
279.03073	2.8
281.04544	3.3
282.05020	1.5
283.02481	1.3
295.02261	1.0
296.03049	0.9
297.03830	1.6
307.02402	3.1
308.03238	4.9
309.03958	3.0
310.04626	0.8
329.23276	4.4
336.02737	10.4
337.03296	2.5
381.09900	4.7
382.09793	0.9
393.09756	1.7
394.09836	0.9
399.21713	0.9
405.09619	5.5
407.11218	5.0
410.06467	5.4
411.06616	1.4
417.22562	1.2
423.10855	2.2
433.09271	4.0
434.09726	0.9
435.11224	0.9
461.20300	1.4
507.12915	22.3
508.13358	5.6
555.28241	3.4
567.28577	1.2
569.16595	1.5
574.12823	0.8
585.29468	71.0
586.29736	11.3
627.30524	32.7
628.30817	5.5
653.30139	2.1
671.19537	15.1
671.29773	43.2
672.19946	3.8
672.30182	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11791	1.7
58.00462	1.7
59.01255	15.8
61.98700	61.0
68.93709	1.3
69.03310	2.0
69.24036	15.8
71.01245	6.8
72.99194	2.2
73.02830	2.5
78.95747	2.2
79.95618	2.3
85.02806	4.4
89.02306	3.2
93.03336	1.6
96.95880	22.5
97.02810	2.2
99.00699	2.0
113.02309	2.1
119.04889	3.7
133.02798	2.4
137.02371	1.7
163.03912	3.1
163.36691	1.4
168.13020	1.5
173.04451	2.4
173.08745	1.7
191.05539	6.7
202.99809	2.6
203.01816	3.0
280.03842	3.3
284.03207	4.1
285.03973	3.5
297.03940	4.8
298.04694	7.0
299.05539	7.5
308.03168	11.5
309.03943	4.4
310.04581	2.1
311.05643	5.7
323.05597	21.0
324.06097	2.6
325.03369	1.9
325.07153	5.5
335.05441	1.7
336.02789	3.3
337.03549	7.8
341.06445	6.0
351.04987	9.7
352.05518	3.4
402.79556	1.5
405.09741	2.6
411.07068	5.8
425.08755	19.4
426.09290	2.0
433.09109	2.9
487.12292	1.9
495.71799	1.5
507.13007	10.1
508.19284	3.0
572.04480	1.7
589.15588	100.0
590.15668	15.4
607.16919	7.3
671.20313	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11791	1.7
58.00462	1.7
59.01255	15.8
61.98700	61.0
68.93709	1.3
69.03310	2.0
69.24036	15.8
71.01245	6.8
72.99194	2.2
73.02830	2.5
78.95747	2.2
79.95618	2.3
85.02806	4.4
89.02306	3.2
93.03336	1.6
96.95880	22.5
97.02810	2.2
99.00699	2.0
113.02309	2.1
119.04889	3.7
133.02798	2.4
137.02371	1.7
163.03912	3.1
163.36691	1.4
168.13020	1.5
173.04451	2.4
173.08745	1.7
191.05539	6.7
202.99809	2.6
203.01816	3.0
280.03842	3.3
284.03207	4.1
285.03973	3.5
297.03940	4.8
298.04694	7.0
299.05539	7.5
308.03168	11.5
309.03943	4.4
310.04581	2.1
311.05643	5.7
323.05597	21.0
324.06097	2.6
325.03369	1.9
325.07153	5.5
335.05441	1.7
336.02789	3.3
337.03549	7.8
341.06445	6.0
351.04987	9.7
352.05518	3.4
402.79556	1.5
405.09741	2.6
411.07068	5.8
425.08755	19.4
426.09290	2.0
433.09109	2.9
487.12292	1.9
495.71799	1.5
507.13007	10.1
508.19284	3.0
572.04480	1.7
589.15588	100.0
590.15668	15.4
607.16919	7.3
671.20313	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	11.6
70.45102	1.2
70.45432	0.5
71.01254	1.3
79.95611	8.0
80.96405	2.9
85.02819	1.1
95.95066	0.5
96.95888	100.0
97.95780	0.7
101.02334	1.7
103.00249	8.5
113.02338	0.6
138.20769	0.4
138.96974	1.7
147.25296	0.4
147.66025	0.5
150.06776	0.7
152.98546	1.7
163.07565	0.5
164.98563	2.6
171.10112	0.6
179.10637	0.5
180.98042	1.7
185.00906	0.5
191.05534	0.7
198.99199	0.6
203.01854	0.5
211.52870	0.5
241.00214	4.5
256.99701	1.2
294.66037	0.4
386.48077	0.5
416.12952	0.6
491.56042	0.5
505.11362	0.6
507.33206	1.0
553.27008	4.6
554.27222	0.7
565.27533	0.7
583.27899	64.5
584.28271	10.1
595.27844	0.9
625.28973	25.7
626.29382	3.6
651.26794	1.1
669.28033	31.6
669.38361	3.0
670.28333	4.5
670.38531	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.28
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04459	0.3
59.01247	11.8
61.19813	0.3
61.62870	0.4
69.45567	0.9
69.45971	2.2
71.01239	1.6
72.42524	0.4
72.99172	0.4
73.02788	0.4
79.95607	7.6
80.96384	3.4
82.33648	0.4
85.02831	1.4
94.90553	0.4
95.95111	0.8
96.95888	100.0
98.19785	0.5
101.02315	1.3
103.00251	8.5
113.02294	0.5
117.69957	0.4
120.95853	0.5
122.97430	0.5
138.96970	2.2
150.06787	2.6
150.97011	0.8
152.98526	1.5
163.07385	0.5
164.08168	0.4
164.98494	2.7
170.71831	0.4
172.39940	0.4
179.10733	0.7
180.98030	1.6
198.99121	0.9
205.94867	0.4
222.99342	0.4
241.00217	4.8
242.00577	0.5
256.99820	0.9
259.01434	0.5
308.14444	0.4
310.79117	0.4
327.22067	0.4
383.13742	0.5
461.32721	0.8
484.16711	0.4
485.31250	0.6
507.33365	1.3
553.26764	5.2
554.27136	0.8
565.26965	1.1
583.27899	67.8
584.28210	11.4
595.28113	0.9
625.28937	28.6
626.29352	5.9
651.27673	1.0
669.28107	37.7
669.38605	5.3
670.28485	6.0
670.38794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.7
59.01249	13.2
60.46777	0.7
61.98712	0.9
69.03320	2.4
70.40381	2.0
71.01237	3.9
73.02814	1.1
79.95602	9.6
80.96400	2.3
85.02817	2.0
85.80505	0.7
87.00739	1.8
89.02343	0.9
93.03330	0.9
95.95108	1.9
96.95890	99.4
97.95842	1.0
99.04379	0.9
101.02339	2.2
103.00254	7.1
113.02325	1.2
119.30612	0.8
125.33264	0.7
135.04408	1.6
135.08044	1.1
137.05972	0.9
138.96974	2.1
149.06007	5.3
150.06772	49.8
151.07259	1.6
152.98552	1.1
155.46431	0.7
159.68587	0.7
163.07573	10.6
164.08333	6.4
164.98555	2.7
167.78036	0.8
169.12231	1.1
176.08360	1.6
177.09113	0.9
178.09888	3.5
179.10696	14.8
180.97955	1.5
191.05493	1.9
207.10155	1.2
209.11752	1.0
241.00134	3.5
242.00496	0.8
256.99768	2.4
262.00836	0.8
275.73227	0.8
281.21375	1.1
325.23639	1.1
327.21854	4.8
385.96005	0.8
428.29468	2.0
431.35049	0.8
443.31573	1.2
446.30338	9.0
447.30597	1.5
461.32687	11.3
462.33337	2.3
488.31183	1.8
489.32065	2.8
505.12143	1.0
506.32623	2.5
507.33200	28.8
508.33743	4.5
533.01367	0.9
553.27026	3.9
583.27905	64.8
584.28259	10.8
625.28967	27.2
626.29401	4.7
634.42035	1.0
651.27325	2.1
669.27985	31.2
669.38721	100.0
670.28345	6.2
670.39050	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	4.3
57.03319	3.6
57.04884	1.5
58.00463	4.5
58.66233	1.3
59.01251	99.2
61.98686	2.4
70.55530	2.8
70.55900	3.2
71.01255	71.6
72.01604	1.8
72.99186	5.2
73.02814	12.8
78.91456	1.5
83.01267	7.7
85.02824	32.6
85.03292	2.7
87.00745	6.0
87.04395	3.3
89.02323	29.6
93.03327	3.0
95.01269	9.4
96.95890	6.2
97.02794	3.0
99.00748	5.2
101.02323	41.7
113.02332	40.5
119.03386	13.6
125.02306	7.7
129.01857	2.1
134.58659	2.1
143.03386	6.7
145.13159	1.7
159.02872	2.8
161.04475	10.6
179.05476	3.5
191.05556	9.3
196.26701	1.7
227.92342	1.6
285.04144	2.0
387.65097	1.8
399.23904	7.4
417.25281	8.6
561.29114	100.0
562.29346	16.6
579.30200	74.9
580.30609	12.2
621.31549	14.7
622.31476	3.2
648.41858	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.7
57.03318	2.6
58.00475	1.6
58.19444	1.2
59.01250	71.2
61.98687	1.6
63.03115	1.1
69.03333	2.3
71.01256	57.6
71.52848	1.1
72.99193	3.5
73.02818	12.2
73.70147	1.1
79.95601	1.3
83.01257	4.3
83.45180	1.4
85.02824	22.9
87.00761	6.7
87.04379	2.1
89.02318	25.0
89.73206	1.1
93.03289	1.4
95.01250	5.8
96.95914	7.8
97.02833	3.2
99.00739	6.1
101.02323	29.4
113.02335	28.6
113.03078	2.3
119.03376	8.4
125.02356	4.3
129.01826	2.5
130.09082	1.0
143.03378	4.5
145.90648	1.2
159.02921	2.5
161.04462	10.2
174.50156	1.2
179.05554	3.4
191.05519	8.1
399.23853	8.1
417.25003	9.7
418.25143	1.8
561.29150	100.0
562.29578	14.2
579.30206	62.0
579.39685	2.5
580.30524	11.3
621.31458	11.3
622.31793	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77769	0.5
53.12440	0.5
55.01759	0.5
57.03328	0.4
59.01247	1.7
69.03328	1.7
71.01261	1.6
71.33368	0.6
72.99184	1.1
73.02822	1.1
76.40882	0.4
81.03342	0.8
83.01241	0.5
83.04943	0.7
85.02814	2.3
89.02293	0.6
93.03354	1.0
95.01267	0.9
95.04916	0.5
96.95894	6.1
97.02799	0.7
99.00756	1.0
108.02055	51.1
109.02863	11.9
113.02365	0.6
121.02834	0.7
123.00736	0.6
123.04431	0.5
125.02331	0.5
127.03854	0.5
135.04410	1.6
148.40530	0.5
151.03899	0.8
152.01059	100.0
153.01715	5.2
153.09137	1.3
155.03491	0.5
163.03928	1.7
170.50151	0.4
173.05777	0.5
175.03827	0.4
177.01805	1.0
179.03445	1.1
179.10719	2.7
191.05533	8.1
198.32216	0.5
241.07140	1.2
256.99728	1.1
267.16110	2.4
285.06192	1.0
358.45959	0.5
379.31265	0.5
399.09305	14.1
400.09863	1.4
417.10391	5.3
581.26514	2.6
582.26544	0.5
623.26630	0.9
667.26080	82.6
668.26447	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02752	1.5
51.43068	1.7
59.01254	4.5
61.98690	5.6
62.44078	1.8
69.03327	2.3
71.01245	2.6
71.52535	1.5
72.99206	1.9
78.95766	2.3
97.06445	2.0
101.02339	4.2
107.28358	2.0
109.06463	2.1
125.05969	3.1
126.28963	1.6
153.05496	15.7
171.06525	2.9
171.10188	38.5
172.10524	2.2
174.75655	1.8
199.09682	2.5
235.08165	3.8
253.09190	7.3
277.21725	67.4
278.22040	4.1
339.34573	1.8
345.21289	1.8
347.97208	1.7
378.93790	1.8
395.23856	2.0
395.98181	1.7
403.15405	2.7
429.16913	2.0
431.14752	1.9
432.15817	6.7
445.16788	2.7
446.17270	8.6
447.18274	12.5
448.19144	3.2
461.20282	2.4
475.17743	54.9
476.18259	11.0
489.19128	10.4
490.19522	5.3
505.18900	4.4
507.20334	22.5
508.20456	4.1
512.72217	1.6
517.19025	2.5
521.21973	2.6
534.19025	14.8
535.19781	2.8
548.21259	2.7
549.21503	3.2
566.21588	23.7
567.21985	4.6
580.23334	5.5
581.24030	84.7
582.24408	17.6
635.25165	5.9
636.25177	2.1
667.27698	100.0
668.28168	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	10.2
64.83431	0.7
66.00788	0.6
69.03325	2.5
71.01260	4.2
71.53825	1.1
72.99172	0.9
79.95596	0.9
80.02557	0.9
80.04935	1.5
83.01238	1.7
83.04900	8.9
85.02824	1.9
87.00732	1.2
89.02320	2.6
93.03335	1.7
95.01260	0.8
95.04890	1.6
96.95885	5.8
97.02824	1.3
97.06496	1.7
99.00789	1.1
101.02339	4.0
101.06792	0.8
104.04932	1.1
108.04423	0.9
109.06434	0.8
111.94270	0.8
113.02321	2.4
119.03403	1.1
122.06010	2.2
135.04500	0.9
135.08057	3.1
136.03922	0.9
137.05894	0.9
137.09608	1.2
138.05516	0.7
143.07040	1.1
148.03975	4.2
150.05595	0.8
155.07077	3.3
161.04526	2.4
163.11224	3.6
165.12772	1.5
166.04991	8.3
167.05388	0.8
169.36879	0.7
171.10196	2.2
173.08165	5.6
181.08624	34.4
182.08974	2.0
191.05530	6.1
191.10652	0.8
199.09766	4.2
201.11252	12.0
202.11664	0.9
203.01910	1.6
207.10191	1.0
208.97490	0.7
209.11771	100.0
210.12115	6.6
211.08694	5.6
227.12869	13.5
229.09808	1.0
230.02292	0.8
235.08173	3.5
239.11940	1.1
249.08795	1.4
253.09276	15.0
254.09683	0.9
258.07761	1.0
272.09280	2.1
273.08829	1.5
288.47247	0.8
301.11960	2.0
349.82205	0.8
365.19666	0.8
432.15561	1.8
445.20755	2.3
450.16989	1.2
463.21564	1.4
476.14651	2.8
477.13672	1.0
494.15833	4.0
520.13531	2.6
538.14667	28.6
539.15094	4.5
577.21246	0.8
645.21783	1.1
663.22229	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.2
61.14001	0.1
61.98702	100.0
62.98401	0.2
67.12417	0.1
71.01246	0.2
98.19681	0.2
99.58115	0.1
134.36110	0.1
143.73187	0.1
179.03499	0.2
180.03802	0.1
209.08150	0.3
385.46176	0.2
469.91626	0.1
618.02039	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14753	0.2
57.13810	0.2
59.01252	0.4
60.41877	0.2
61.98704	100.0
62.25287	0.2
65.15524	0.2
71.01261	0.5
71.52806	0.3
85.02829	0.2
89.02306	0.2
113.10165	0.2
145.73203	0.2
151.00243	0.4
153.82603	0.2
153.88541	0.2
158.23810	0.2
205.94362	0.2
209.08241	0.4
277.21582	0.2
316.27823	0.2
331.47211	0.2
336.10382	0.3
336.81931	0.2
535.17627	0.2
654.41797	0.2
664.42383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20125	0.6
54.00395	0.7
59.01239	2.5
63.21848	0.6
65.03846	1.0
69.19099	7.9
85.63492	0.7
99.09515	0.6
104.04969	0.7
151.03891	2.3
161.02321	9.3
178.02666	1.3
179.03416	61.5
180.03690	3.1
191.05420	0.9
193.04881	0.8
194.05774	55.0
195.06126	2.8
208.07312	0.8
209.08130	100.0
210.08447	5.6
302.06378	0.7
308.16556	0.8
353.12390	3.2
371.13556	1.4
413.14511	29.5
414.14844	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.5
57.03321	1.9
58.00454	1.1
59.01250	22.4
60.01581	0.4
60.23784	0.3
61.98695	0.7
69.03318	0.8
70.27739	1.1
71.01254	21.9
72.01581	0.5
72.99181	34.0
73.02816	8.0
73.99519	0.3
75.00738	1.2
83.01246	1.0
83.04864	0.4
83.06310	0.3
84.02028	0.4
84.99226	0.3
85.02824	20.8
86.03139	0.3
87.00750	1.5
89.02313	8.3
93.03318	0.6
95.01247	4.5
96.95882	0.6
97.06480	0.3
99.00755	1.7
101.02319	9.0
102.02649	0.4
103.00253	9.8
103.22964	0.3
104.00672	0.3
113.02329	29.4
114.02647	0.6
115.00200	0.8
121.80940	0.3
129.01831	1.8
131.02600	0.3
131.03401	3.7
133.01317	3.9
145.55946	0.3
157.01361	1.7
163.02361	1.3
171.10220	0.8
173.04416	0.4
175.02393	2.4
181.08617	1.2
191.05591	0.6
193.03470	18.1
201.11221	0.4
207.10139	0.5
209.11823	2.7
225.11264	0.9
240.72794	0.3
253.09160	1.3
291.64511	0.3
423.32693	0.8
439.32144	0.7
461.20193	0.4
467.32004	0.4
485.32684	6.3
486.32779	0.3
544.44244	0.3
661.35913	100.0
662.36249	19.2
662.47687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.4
57.03319	5.2
59.01254	3.9
60.89351	0.3
61.98687	0.4
67.01744	0.3
68.99692	0.7
69.03323	1.2
69.21673	3.0
71.01250	7.1
72.99175	2.9
73.02809	0.6
75.00742	23.0
78.95772	0.5
79.95589	0.5
83.01263	1.7
84.02018	0.4
84.52074	0.3
85.02818	23.8
86.03174	0.5
87.00744	3.0
89.02306	0.5
93.03338	0.8
95.01251	3.4
96.95884	4.9
97.02822	0.4
99.00758	3.4
101.02313	0.4
111.00745	0.7
112.01544	1.1
113.02328	13.4
115.00235	1.2
116.01038	4.8
117.01787	1.1
122.06010	0.4
123.08028	0.4
129.01807	1.0
137.02318	0.4
157.01318	1.4
163.11224	0.4
169.08572	0.4
171.10162	1.0
173.08250	0.3
175.02342	1.0
177.01909	0.4
181.08588	0.9
191.05536	4.7
192.05826	0.5
197.11832	1.7
198.12140	0.3
199.13313	0.4
201.11151	0.3
207.10042	0.4
209.11725	3.5
211.08820	0.6
225.11166	1.0
227.12758	0.4
241.00360	0.4
253.09100	0.6
408.93335	0.3
439.32428	0.6
441.33658	4.4
442.34100	0.7
485.32553	3.0
486.33112	0.6
539.34003	0.9
575.21991	0.5
599.36090	0.9
617.22864	1.0
629.27570	1.0
646.23114	0.4
661.35944	100.0
662.36279	20.0
662.47559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.3
58.00457	1.0
59.01252	23.4
61.98687	1.5
67.01701	0.8
69.03339	5.4
69.18846	2.1
69.19249	6.4
71.01257	14.4
72.99184	1.8
73.02804	3.2
75.00752	1.0
79.95613	4.0
80.02560	0.8
80.25690	0.8
81.03332	1.9
83.01234	2.0
83.04906	9.8
85.02840	4.6
87.00758	3.2
89.02314	8.7
93.03343	2.0
95.01279	0.9
95.04926	1.0
96.95882	19.9
97.02824	2.6
97.06477	4.2
98.19839	2.0
99.00724	1.9
101.02326	9.3
109.06470	2.3
113.02299	4.5
115.91971	2.4
116.92744	1.6
119.03387	2.7
125.02334	2.2
135.04391	3.2
135.08086	2.3
141.01860	1.9
143.03403	1.6
144.79834	0.9
145.34604	1.0
151.11192	14.3
152.91631	1.0
161.04431	2.8
163.07436	1.1
167.10696	7.1
169.12254	98.1
170.12614	4.0
173.04509	1.4
177.09024	1.0
179.05576	1.3
181.08621	21.6
185.00832	2.0
187.07570	1.2
191.05537	13.1
192.06046	1.3
195.10237	4.3
199.09717	2.1
203.01889	2.2
209.11830	2.2
211.13414	1.4
213.11270	15.6
213.89040	0.8
219.80293	0.9
227.12946	0.8
235.08142	3.8
238.98613	1.1
247.16965	3.7
253.09314	5.6
256.99817	2.6
265.18082	45.2
266.18378	4.7
266.87048	0.9
275.06656	0.9
285.83719	0.9
299.00937	1.6
364.04736	0.8
397.13501	11.3
415.14563	11.8
431.19238	2.7
449.20261	13.0
450.20651	2.1
577.23383	2.4
613.28345	2.7
619.24237	8.3
620.24048	1.5
631.29663	100.0
632.30176	18.3
663.22693	5.0
663.32532	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08058	0.6
54.45650	0.6
55.01765	0.6
55.60093	0.6
57.03318	1.3
59.01252	13.3
60.58243	0.6
61.27044	0.6
65.03819	0.6
66.38031	0.6
67.01777	0.6
69.03322	3.0
69.35267	3.1
69.35712	1.9
71.01258	7.1
71.04902	2.1
72.99181	0.9
73.02816	1.4
80.02580	0.7
81.03319	1.8
83.01265	1.2
83.04892	11.5
85.02827	4.2
87.00761	1.9
89.02335	2.8
93.01640	0.6
93.03343	2.8
95.04886	1.1
96.95880	4.6
97.02798	0.9
97.06478	2.2
98.19868	1.2
99.00745	1.1
101.02316	4.1
109.06488	2.2
111.04408	1.2
113.02332	2.0
123.08041	1.1
125.09609	2.4
135.04384	1.5
135.07133	0.5
135.08061	3.5
137.09612	1.4
143.07085	1.0
147.37881	0.6
151.11201	2.6
153.12723	1.9
161.04449	2.0
161.09654	3.0
163.07549	0.8
171.10190	2.3
173.04443	1.1
179.10706	7.4
181.08623	22.5
182.08948	1.7
185.11845	0.6
191.05534	20.7
192.05855	2.3
197.11765	85.0
198.12114	4.1
199.09666	1.6
207.10165	1.1
209.11780	5.4
223.09695	1.9
225.06667	0.9
225.11250	2.1
227.12747	0.8
235.08286	1.4
241.10828	5.7
242.11293	0.8
253.06747	0.8
253.09236	4.7
266.06625	0.7
294.09912	0.8
295.10886	1.3
420.15021	0.9
459.18729	1.8
477.19904	4.8
587.25208	1.6
615.26501	1.7
623.27173	0.7
627.25043	2.7
641.27985	2.3
659.29211	100.0
660.29535	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08717	1.1
55.01746	1.5
57.03309	2.9
59.01250	13.6
63.55344	1.0
69.03323	3.8
69.97226	1.0
71.01258	9.9
71.04887	1.9
71.53202	1.3
71.53603	1.6
72.99214	1.1
73.02829	2.4
79.95618	1.7
80.02560	1.1
81.03308	1.9
83.01307	1.4
83.04882	7.1
84.02036	1.1
85.02834	9.5
85.92450	1.2
86.61660	1.2
87.00741	3.2
89.02309	3.8
93.03329	8.0
95.04907	6.6
96.95896	15.2
97.02835	2.5
97.06479	8.5
99.00715	2.7
99.04371	1.5
101.02327	6.0
103.00280	1.2
109.02869	1.3
109.06470	2.0
111.04386	2.0
112.93656	1.7
113.02312	3.4
119.03384	1.7
121.06471	1.1
122.06018	1.1
122.99499	1.0
123.08052	17.5
125.06000	2.5
125.09612	3.0
127.03904	1.2
133.06482	4.3
135.04404	4.5
135.08069	2.0
136.63182	1.1
143.07019	2.1
151.07597	9.3
161.04521	1.3
161.50772	1.1
163.11195	5.9
165.12708	2.2
169.08621	26.3
171.10175	4.1
173.04524	3.1
177.05603	1.1
179.07108	1.7
181.08696	2.8
181.12198	2.2
184.49693	1.3
191.05547	54.7
191.10651	1.4
192.05820	6.2
195.06689	2.3
197.11804	3.6
199.13312	1.1
203.01913	1.7
207.10167	3.4
209.11766	76.4
210.12100	4.3
213.07629	2.2
225.06700	3.7
225.11273	4.6
226.07370	2.2
227.03421	2.5
227.08229	1.8
227.12862	7.0
238.07364	1.6
240.09090	1.4
241.09897	1.8
243.12201	1.6
252.05461	1.8
253.06558	6.1
253.08839	6.0
265.06143	2.0
266.06894	3.1
267.07513	1.7
279.07678	1.8
280.08459	2.9
285.08780	2.6
287.61432	1.2
295.10782	5.8
296.11578	1.8
298.09445	1.3
299.10425	2.9
300.11066	1.8
339.09778	1.7
340.10513	1.2
420.15802	2.2
452.18353	1.8
467.20880	2.5
468.55197	1.3
504.17932	1.9
505.18652	2.2
506.18332	1.5
555.29871	1.4
583.25214	2.0
587.25360	5.6
599.52557	1.3
615.28107	5.5
627.24426	13.2
628.24536	2.7
630.01288	1.1
641.27515	3.6
659.29175	100.0
660.29376	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88195	1.5
59.01234	5.2
68.99679	4.2
71.10831	3.2
80.04923	4.2
93.03338	3.3
94.02879	2.2
94.06495	25.2
96.04420	15.0
96.95892	23.2
102.11255	1.2
103.00281	1.9
104.04939	2.1
106.06470	6.9
108.04436	2.0
108.09224	1.4
110.06034	1.7
112.28044	1.2
113.02258	1.4
118.06509	1.7
120.04456	1.5
120.08063	6.7
121.05213	4.7
122.02373	1.9
122.05988	12.1
124.03936	30.2
124.07551	10.0
130.06474	1.7
132.04506	1.6
135.04454	1.5
136.07578	32.6
137.07915	1.5
148.03960	10.9
148.07579	4.7
153.04173	3.0
160.03947	3.2
166.08644	57.0
167.09016	2.3
171.10231	2.7
173.04332	1.5
174.05493	4.8
190.04953	1.7
191.05536	10.6
194.08211	1.6
211.12323	3.0
215.11726	7.3
217.13358	1.5
220.10129	1.9
222.11243	1.6
223.08734	2.0
223.12334	4.0
224.09523	1.7
225.10368	5.3
227.12807	1.6
235.12387	7.0
236.09564	2.7
237.10316	7.1
238.10883	3.4
239.11827	6.9
249.10284	3.5
251.08087	3.3
251.11859	10.9
251.31798	1.5
253.09933	1.8
255.11531	1.9
259.10837	1.7
261.10281	3.2
263.08240	6.1
263.11737	2.8
264.09036	20.8
265.09583	5.4
266.10410	2.0
267.11383	6.6
273.12543	6.4
276.09036	3.6
276.22476	1.3
277.09814	6.1
278.10577	6.5
279.11377	95.8
280.11749	11.0
281.12839	3.5
285.12479	2.7
291.11362	19.3
292.11951	6.0
293.13092	1.7
297.12433	5.5
311.14157	2.6
323.10361	6.1
324.10989	3.3
332.17706	5.6
334.15628	4.3
339.13354	1.5
344.17447	2.7
372.21112	3.0
374.18552	2.9
375.19403	3.5
376.16623	6.3
384.17245	2.1
386.18607	1.8
388.16632	3.3
416.19785	19.4
417.20071	4.6
418.21167	2.7
458.20795	9.7
459.21368	2.6
460.18872	11.4
461.19397	7.7
462.20389	2.4
469.26071	5.3
471.23859	3.1
485.19485	2.2
486.20352	6.9
490.24304	1.9
502.19748	15.8
503.20474	11.0
513.25018	6.4
521.25665	2.5
530.19476	2.8
534.22418	41.9
535.22491	6.5
539.26788	8.1
540.26624	1.9
541.24988	1.8
557.24286	9.1
562.21674	3.2
565.24512	12.2
566.24341	2.1
573.25909	8.7
574.26044	2.6
583.25568	18.3
584.25714	4.9
589.26727	8.8
590.27606	2.8
597.26971	2.0
609.23462	13.3
610.23810	2.7
615.27655	11.7
616.27136	2.5
627.24628	98.0
628.24792	20.0
641.26385	8.5
642.26672	2.4
659.27124	100.0
660.27490	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27473	0.2
55.01756	1.6
55.82487	0.2
57.03315	1.0
58.00467	2.3
59.01250	39.1
60.01596	0.3
68.99686	0.8
69.03328	2.2
71.01254	36.2
72.01587	0.3
72.99184	2.4
73.02818	6.3
75.00748	1.0
81.03338	1.8
83.01258	4.5
85.02821	7.6
85.99979	0.4
87.00751	9.1
87.04380	0.3
89.02317	32.0
90.02657	0.4
91.03903	0.9
93.03307	0.4
95.01259	2.6
96.53318	0.2
97.02832	6.2
98.19753	0.5
99.00757	2.1
99.04392	0.6
101.02319	31.0
102.02690	0.5
103.00253	0.4
103.03903	0.2
109.02844	0.7
111.00780	0.8
111.04398	1.0
113.02330	13.9
114.02663	0.3
115.03904	0.7
116.68633	0.3
119.03384	10.3
121.02883	0.6
123.04396	0.4
124.01545	0.2
125.02338	13.2
127.03907	0.3
131.03409	2.0
133.04973	0.9
137.02394	0.6
139.03943	1.4
141.01796	0.7
143.03404	6.1
149.02356	0.3
149.04451	1.1
161.03201	0.5
161.04465	6.8
167.03395	0.7
169.05013	0.5
171.02931	0.3
179.05522	6.8
180.05852	0.3
181.05057	0.4
185.04559	0.6
191.05594	0.3
199.06003	0.4
217.07123	1.1
219.05072	0.5
221.06570	2.4
231.56334	0.2
235.08188	15.4
236.08614	0.5
237.22385	0.3
245.06624	1.1
253.09294	3.8
255.23267	100.0
256.23593	8.6
259.08148	0.4
263.07745	1.7
269.24875	0.5
277.09369	0.8
287.07736	3.7
305.08771	3.9
323.09872	1.7
361.11487	0.5
379.12518	1.4
391.69116	0.2
397.13486	87.9
398.13803	6.8
415.14566	31.0
416.14938	2.8
579.25879	0.3
637.02509	0.3
653.26135	0.6
653.37274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.9
58.00479	0.6
59.01254	12.0
61.98701	1.1
67.65263	0.4
69.03328	1.0
70.82622	1.2
71.01254	7.2
72.99183	0.9
73.02821	1.0
78.95761	0.8
83.01248	0.6
83.04889	0.9
85.02820	1.4
87.00735	0.9
89.02316	6.3
89.88458	0.4
95.01240	0.7
95.04899	1.3
97.06465	12.9
99.00696	0.4
101.02324	4.9
103.91413	0.5
113.02322	2.4
119.03403	1.7
123.08041	6.7
124.08395	0.5
125.02360	0.8
125.09611	100.0
126.09931	4.3
141.01564	2.9
143.03455	0.7
143.10640	1.6
152.10049	0.4
161.04507	1.0
164.25735	0.5
169.08611	2.8
178.99696	0.4
179.05518	1.1
187.09677	75.2
188.10011	3.6
211.09599	0.9
232.51407	0.4
235.08212	0.5
236.08527	0.4
249.18558	12.9
250.18903	1.0
253.09229	2.7
255.23251	2.3
256.23529	2.4
257.23917	1.4
261.13342	1.1
397.13651	0.9
398.13806	1.9
399.13965	1.6
405.17599	6.2
416.14700	0.7
423.18732	21.1
424.18909	1.9
493.31506	0.7
655.36957	85.4
656.37335	18.6
656.48480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
59.01246	3.8
61.98702	1.7
69.03326	2.9
71.01256	4.5
73.02824	1.4
78.95781	0.8
81.03316	1.1
83.01254	0.8
83.04897	1.5
85.02817	1.4
87.00761	2.1
89.02317	1.5
93.03350	1.4
95.04902	43.5
96.05251	1.5
97.06467	100.0
98.06802	2.3
101.02328	3.7
111.04398	0.7
113.02327	2.2
115.07519	7.9
116.21082	0.6
141.05475	2.4
145.04997	0.9
159.06540	38.3
160.06877	1.2
161.04448	1.0
235.08220	2.5
253.09279	3.8
277.21719	38.3
278.22174	3.3
331.24265	0.7
377.14340	5.9
395.15604	6.3
396.15732	0.7
537.98297	0.7
538.06409	0.7
655.36969	81.1
656.37286	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.7
59.01251	4.0
62.08062	0.7
65.99719	1.1
68.99689	1.0
69.03318	1.4
69.57213	5.0
69.67019	0.6
71.01247	4.0
73.02794	0.9
75.83443	0.7
83.04890	2.3
85.02821	2.1
87.00753	1.7
89.02301	1.1
93.03334	1.7
94.02863	1.3
95.04934	1.0
96.95910	3.5
97.02844	0.8
97.06457	0.9
101.02325	2.0
107.03636	1.2
108.04447	0.7
109.02843	1.1
109.06444	1.1
111.04401	0.9
112.93616	0.9
122.06007	10.1
123.04375	0.9
129.05797	0.9
134.06003	1.5
136.07542	2.2
143.07053	2.8
146.02409	2.7
147.03148	1.6
148.03934	2.4
151.03961	1.0
151.07600	1.1
161.04614	1.0
161.09550	1.0
163.11118	1.0
164.03383	1.1
169.12227	0.8
171.10179	5.9
172.07678	1.2
173.04626	1.1
174.01881	3.2
174.04228	1.2
175.02571	1.0
175.40663	1.0
176.03415	4.1
177.05516	1.1
179.07024	1.9
181.08649	4.2
183.80658	0.7
189.04286	0.9
190.08582	1.7
191.05539	16.5
195.06577	1.4
197.07060	0.8
197.11731	3.1
199.08690	1.1
201.02863	1.3
205.03711	2.4
205.08757	1.1
206.04494	2.5
207.10162	1.7
208.06174	1.5
209.07037	0.8
209.11772	13.8
210.07886	1.2
210.12186	1.6
211.05089	1.4
211.08656	2.8
212.05734	1.3
213.06575	4.6
215.04489	0.9
220.09717	2.3
223.05057	1.5
223.08879	3.0
224.05901	2.6
224.09082	0.9
224.11002	1.2
225.06633	25.7
225.11122	2.8
226.07375	12.8
227.04605	2.0
227.08183	16.0
227.12837	1.5
228.05356	0.8
228.08516	1.0
235.08327	2.1
237.06566	1.3
238.07381	7.8
239.08147	13.0
239.11775	1.2
240.08968	8.7
241.09689	11.7
241.13354	0.9
242.10249	1.4
251.04619	1.1
251.08205	6.5
251.11784	1.5
252.05354	12.0
252.09103	3.9
252.10210	4.1
253.06140	36.5
253.09561	6.7
254.06795	5.8
254.10457	3.1
255.07736	5.2
255.11212	1.4
263.08026	0.9
264.05524	1.9
265.06161	10.0
265.09793	2.4
266.06931	26.1
266.10480	4.2
267.07693	20.7
267.11343	10.6
268.08429	9.7
268.12036	2.9
269.08972	1.4
272.08798	1.1
273.08789	2.5
277.09808	1.7
278.07083	1.4
279.07736	14.1
280.08502	24.1
281.09247	7.6
282.10016	1.8
284.08017	3.6
285.08771	20.0
286.09097	2.1
287.10452	3.9
293.09250	5.3
294.10104	18.0
295.10855	49.7
296.11481	11.0
297.08704	2.2
297.12326	3.0
298.09540	11.7
299.10352	24.1
300.11038	15.3
301.11649	1.5
304.67661	0.9
311.10052	1.0
321.08795	4.9
322.09482	1.3
323.09958	0.9
327.13470	2.1
338.09021	5.3
339.09842	10.2
340.10602	8.8
341.11270	2.6
362.15112	8.3
371.12497	1.6
373.14163	1.5
374.11221	1.0
374.15466	1.0
388.13043	7.3
389.13541	2.0
390.14496	3.2
402.14560	2.5
403.15326	0.9
406.13971	1.2
416.15970	4.8
417.16766	3.9
418.17633	2.8
420.15656	15.7
421.16205	4.5
422.17105	2.7
432.15158	1.3
433.16434	1.8
438.28470	0.9
444.15475	1.4
448.18872	3.7
449.19803	3.5
450.20560	1.2
451.17633	2.9
452.18195	19.0
453.18582	3.3
459.18433	1.0
460.15146	4.6
461.14948	5.6
462.16278	7.3
464.18317	4.4
465.19055	1.2
466.19321	1.1
492.17902	3.6
493.18405	3.4
494.18991	1.2
504.17749	9.3
505.18527	25.7
506.19003	4.6
536.20374	6.2
537.20868	1.6
555.22339	7.7
556.22711	1.7
573.25500	1.4
583.25580	14.8
584.25812	2.5
587.25085	37.2
588.25342	7.9
609.23523	2.2
615.28052	13.5
616.28363	2.7
627.24579	100.0
628.24902	20.2
641.26288	4.2
659.27686	27.9
660.27875	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.285
Annotation	Fastrine
Peak:m/z	Relative Intensity
57.03334	1.4
59.01249	10.4
61.98701	2.7
63.45605	0.8
69.03332	8.3
71.01247	2.6
73.02821	1.1
75.00744	2.1
78.95718	1.0
79.95615	8.6
80.96389	2.9
85.02819	3.5
95.95098	1.6
96.95885	100.0
97.02834	2.6
99.00749	1.5
101.02361	1.3
103.00259	8.4
125.09494	1.0
129.01826	0.9
150.97000	0.8
152.98518	1.3
164.98563	1.4
171.10115	1.2
177.03940	2.5
180.97984	1.4
185.00853	5.7
191.05569	2.5
207.10278	1.0
209.11775	2.7
238.98683	2.6
240.75298	0.8
241.00197	3.5
256.99695	11.9
483.15909	1.0
545.96655	1.0
549.26508	1.1
567.28412	64.1
568.28680	10.2
609.29449	30.5
610.30060	4.5
653.28497	36.4
654.29138	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	1.9
71.53186	1.1
78.95793	1.6
123.93789	1.0
129.95439	1.1
135.34441	1.1
138.62000	1.2
146.36223	1.1
149.56229	1.1
162.35928	1.1
255.23438	1.4
267.83954	1.2
279.23499	1.8
417.17221	4.4
418.17960	13.8
419.18484	2.1
431.18887	5.7
432.19507	15.5
433.20206	20.7
434.20547	3.3
444.19025	1.7
446.16754	2.0
447.22110	7.3
448.22531	1.8
450.17157	1.9
459.21756	1.3
461.19803	97.4
462.13882	2.1
462.20099	18.2
464.18390	3.3
475.21338	15.7
476.22144	5.3
477.22122	1.6
489.19501	1.9
491.20972	8.0
492.21277	1.9
493.22681	2.9
503.20651	2.5
505.22491	1.3
519.20581	1.5
520.21124	38.4
521.21344	7.9
534.22687	7.6
535.23297	11.7
536.23834	1.4
552.23822	22.8
553.23816	3.4
555.28296	2.7
566.25153	9.7
567.26074	92.7
568.26361	20.1
569.94324	1.2
589.24408	2.5
621.27301	4.9
653.29803	100.0
654.30231	24.8
654.40619	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31143	0.4
58.08477	0.4
58.26554	0.4
59.01249	0.9
62.96288	0.7
63.07769	0.3
67.59887	0.3
71.52993	0.7
78.95775	100.0
90.37653	0.4
148.99992	4.8
152.99445	0.7
179.01123	0.7
205.15933	2.0
210.51343	0.3
233.82845	0.4
255.23111	0.6
285.12598	4.4
355.16638	2.8
385.17712	0.9
447.13330	5.7
448.14014	0.5
611.40765	0.5
638.26587	0.6
653.30084	44.5
654.30383	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89766	0.2
55.01763	1.6
57.03315	1.3
58.00464	2.7
59.01250	48.1
60.01585	0.6
67.01769	0.2
68.99689	0.5
69.03331	2.4
69.35734	1.9
71.01250	38.7
71.20225	0.2
71.97563	0.3
72.01587	0.5
72.99178	2.7
73.02818	6.7
75.00744	1.1
78.47993	0.2
81.03326	1.9
83.01250	5.0
84.02058	0.3
85.02821	9.0
85.99983	0.3
87.00748	9.2
87.04356	0.3
87.78453	0.2
88.97829	0.2
89.02316	34.1
90.02664	0.6
91.03889	0.6
93.03352	0.4
95.01261	2.9
95.04905	0.5
97.02829	6.3
98.03161	0.3
99.00751	2.2
99.04394	0.5
101.02322	30.9
102.02654	0.7
103.03887	0.6
109.02825	0.5
109.84310	0.2
111.00766	0.8
111.04404	0.9
113.02329	15.7
114.02644	0.5
115.03900	0.6
119.03385	10.1
119.97952	0.2
120.03744	0.3
121.02820	0.5
122.92525	0.2
123.00750	0.3
123.04380	0.3
123.21238	0.2
124.01556	0.3
125.02335	12.5
126.02666	0.3
127.03890	0.7
128.61620	0.2
131.03410	1.4
133.04942	1.0
137.02330	0.3
139.03894	1.0
141.01849	0.8
141.14276	0.2
143.02361	0.4
143.03404	6.0
149.04413	1.1
157.04959	0.3
161.04463	7.2
167.03465	1.1
169.04968	0.6
179.05533	6.2
180.05869	0.3
181.04893	0.3
185.04471	0.7
199.06065	0.8
203.05579	0.4
217.07155	1.3
219.05089	0.4
221.06624	2.7
231.86176	0.2
235.08192	14.4
236.08446	0.7
237.22205	0.3
245.06650	0.6
253.09247	3.0
255.23264	100.0
256.23615	8.7
256.26321	0.3
263.07700	1.0
269.24728	0.5
277.09320	0.8
279.23160	0.2
287.07654	3.8
297.24438	0.3
305.08765	3.8
323.09802	1.9
361.11255	0.6
379.12302	0.9
397.13474	79.8
398.13821	7.4
415.14554	28.9
415.18976	0.3
416.14859	2.6
513.75006	0.3
548.63647	0.2
653.37695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2616
Annotation	Cryptophycin 1
Peak:m/z	Relative Intensity
50.27042	1.1
52.21585	1.2
59.01231	3.9
61.98674	4.8
71.01271	2.4
71.53354	1.8
89.02325	2.2
91.25729	1.2
96.95853	1.4
101.02323	3.3
113.02316	1.2
124.76196	1.5
125.05951	1.4
134.06046	3.0
136.45396	1.1
143.07060	5.6
171.10231	1.5
185.11678	2.3
189.95198	1.2
191.05533	1.3
211.13292	2.0
223.27827	1.2
235.64732	1.3
253.09337	1.3
253.21779	3.6
254.21909	3.3
291.19797	5.2
397.13177	1.6
398.13950	1.9
399.14252	2.2
403.15753	1.8
404.16049	1.3
417.17139	1.9
431.14706	1.9
432.15964	3.6
433.16434	3.4
446.17426	5.7
447.18488	8.7
448.15405	3.9
460.18927	2.0
461.15500	1.5
461.19937	2.0
462.16702	2.2
463.17627	3.2
475.17731	30.1
476.18271	5.0
489.18915	7.4
490.20450	2.3
493.18878	23.0
494.18851	4.4
507.19830	2.3
518.20190	1.4
519.17053	1.7
534.19073	7.0
535.19818	1.5
545.21777	4.2
552.20172	22.7
553.20575	5.2
566.21912	6.8
567.22461	67.7
568.22687	12.3
577.24512	27.5
578.24536	5.7
621.23151	5.7
653.26080	100.0
654.26428	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85835	1.6
78.95776	70.4
83.04897	1.5
90.30399	0.5
96.96848	5.5
150.97958	0.8
152.99487	100.0
153.99837	1.9
163.11252	1.0
165.12749	1.0
171.00581	3.4
209.11772	25.8
210.12022	1.3
227.12854	3.0
253.21745	1.1
363.12225	8.1
364.12570	0.9
381.13181	35.1
382.13660	2.7
395.14731	8.5
396.14743	0.6
413.15790	24.4
414.16006	2.9
472.01572	0.6
617.34521	6.4
618.35175	0.8
649.37085	3.7
650.38184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.0
59.01250	5.3
61.98689	3.2
64.65641	0.7
69.03343	4.0
69.03645	0.9
71.01232	2.1
71.54543	1.4
72.99163	1.3
73.02837	1.1
73.34143	0.8
75.99250	0.8
78.95776	2.9
79.95597	3.2
80.96381	0.7
85.02818	3.1
85.57762	0.9
87.00703	0.9
89.02338	0.9
92.58258	0.9
93.03347	1.5
95.01266	1.0
96.95885	22.4
97.02837	1.1
98.95451	2.8
99.04399	2.9
103.00244	1.3
108.02053	53.4
109.02882	9.1
113.02329	1.0
123.00761	1.5
135.04416	2.1
140.54947	0.9
152.01067	100.0
153.01450	4.2
154.06682	0.8
161.02319	1.3
163.03932	2.6
164.98463	1.0
165.17734	0.9
171.10181	0.9
185.00818	1.4
191.05527	3.6
241.07144	0.9
251.16537	5.5
256.99704	3.6
263.77963	0.8
285.06079	1.5
399.09308	15.8
400.09766	1.4
417.10376	3.5
510.54993	0.9
565.26495	10.1
566.27283	1.9
607.27856	4.3
633.82117	0.9
651.26544	92.9
652.26825	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.6
57.03324	2.3
58.00469	1.6
59.01253	38.0
61.98700	1.5
69.03317	2.5
71.01251	31.1
71.53144	0.9
72.99177	3.2
73.02821	6.3
75.00702	0.8
78.95779	1.5
81.03326	2.0
83.01249	4.0
83.04913	1.0
85.02824	8.8
86.16129	0.6
87.00752	8.2
89.01760	1.6
89.02316	28.3
90.02647	0.7
91.03905	1.4
93.03343	1.1
95.01271	3.2
96.95882	2.3
97.02834	6.4
99.00751	2.0
101.02323	27.0
111.04461	1.1
113.02324	14.2
119.03392	8.2
121.02867	1.3
125.02337	14.2
131.03339	1.5
133.04985	0.9
139.03873	0.9
141.01891	0.8
143.03395	6.5
149.04494	1.2
152.99515	0.7
153.44424	0.6
161.04439	6.2
179.05524	6.5
191.05573	1.4
209.11826	0.7
221.06618	2.1
233.19104	1.1
235.08183	11.5
245.06659	1.6
251.20146	100.0
252.20454	9.4
253.09210	4.5
263.07825	0.8
287.07910	3.2
305.08731	2.6
323.09857	1.5
379.12363	1.3
397.13498	71.1
398.13852	6.1
415.14590	30.7
416.14951	2.1
449.66705	0.8
491.47803	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3801
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
54.51838	0.5
55.01751	1.4
56.79436	0.4
57.03327	4.4
59.01252	5.2
63.43489	0.4
66.88599	0.5
67.01774	0.8
68.99673	0.9
69.03322	2.4
71.01255	6.0
72.99180	2.7
73.02830	0.9
75.00747	25.3
79.95599	1.2
80.96381	1.0
83.01250	1.2
84.02075	0.6
85.02823	24.9
86.03139	0.5
87.00758	2.3
89.02303	1.9
93.03312	0.6
95.01243	3.3
96.95884	6.7
97.02805	1.0
99.00748	1.9
101.02327	1.5
101.68713	0.5
111.00708	0.6
112.01535	1.4
112.62772	0.5
113.02327	13.4
115.00263	1.2
116.01009	0.7
117.01842	0.8
119.03452	0.7
129.01851	0.7
157.01311	1.0
163.03914	0.9
171.10164	1.4
175.02338	1.1
175.03754	0.6
181.08614	0.9
187.07545	0.5
191.05513	2.0
197.11765	1.1
209.11769	1.6
211.13266	1.3
227.12875	1.1
231.10239	0.5
256.99701	0.7
258.04828	0.5
300.15659	0.5
307.52908	0.5
469.33179	1.1
471.34650	5.5
472.35104	0.6
502.17343	0.6
525.35919	1.9
536.39093	0.5
561.22516	0.6
565.26654	0.9
571.36133	1.4
572.36523	0.6
629.37537	0.6
647.37952	100.0
648.38257	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25808	0.2
54.64359	0.2
54.64658	0.3
55.01751	1.3
57.03329	1.1
58.00472	1.6
59.01250	35.2
60.01600	0.3
61.98697	0.2
65.96410	0.2
67.01756	0.3
68.99679	0.5
69.03326	2.1
71.01252	32.9
72.01586	0.4
72.99180	2.8
73.02817	5.7
75.00739	0.7
81.03323	1.8
83.01254	4.3
83.01711	0.3
83.04911	0.6
84.99054	0.2
85.02823	7.6
85.99953	0.3
87.00749	8.2
87.04372	0.2
89.02316	29.2
90.02651	0.4
91.03893	0.8
91.72681	0.2
93.03354	0.5
95.01254	2.4
95.04888	0.3
96.95872	0.3
97.02824	5.8
97.06495	0.2
99.00768	1.8
99.04388	0.4
101.02320	27.5
102.02669	0.9
103.00288	0.3
108.42493	0.2
109.02823	0.6
111.00768	0.5
111.04410	0.8
113.02328	13.2
114.02691	0.2
115.03914	0.9
119.03387	9.7
121.02833	0.3
123.00766	0.2
123.04426	0.3
124.01531	0.3
125.02338	12.6
127.03898	0.5
131.03380	1.7
133.04962	1.1
137.02252	0.2
139.03865	0.6
141.01839	0.6
143.03395	6.1
144.03700	0.3
149.04443	0.9
151.00343	0.2
157.04912	0.3
159.10323	0.2
161.04462	7.5
167.03447	0.7
169.04997	0.6
179.05537	6.6
181.05139	0.2
185.04494	0.4
193.04701	0.2
199.06161	0.4
203.05559	0.4
217.07094	1.1
219.05042	0.3
220.10327	0.3
221.06590	2.3
233.19037	1.1
235.08191	12.8
236.08617	0.7
245.06638	0.6
251.20126	100.0
252.20465	9.7
252.23128	0.5
253.09253	4.7
253.11890	0.3
263.07562	1.4
265.21805	0.4
277.09302	0.7
287.07739	3.0
305.08765	3.5
323.09802	1.7
361.11481	0.4
379.12497	0.8
397.13474	72.6
398.13791	6.4
415.14539	30.6
416.14816	2.5
573.62396	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.38
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
55.01757	1.5
57.03321	4.2
59.01260	4.1
61.98702	1.9
63.44849	0.5
67.01762	1.4
69.03329	3.2
71.01251	4.6
72.99174	2.2
73.02825	0.9
75.00742	25.0
78.95754	0.8
83.01256	0.9
85.02822	23.1
87.00737	1.7
93.03323	1.3
95.01267	3.7
96.95884	7.2
97.02853	1.6
99.00743	2.4
101.02322	0.7
103.00254	0.8
104.42294	0.6
112.01528	0.7
113.02335	14.2
115.00293	0.7
117.01827	0.9
119.05025	0.5
119.31649	0.7
129.01810	1.1
135.04424	0.8
137.02322	0.6
142.02597	0.5
157.01363	0.7
175.02422	0.8
185.00832	1.1
191.05556	2.8
199.13298	0.8
209.11829	1.3
241.00406	0.8
275.09238	0.5
338.71259	0.6
471.34796	8.1
472.34933	1.3
525.35968	1.4
539.76288	0.6
561.23193	0.9
571.36536	3.2
615.30072	0.8
647.38000	100.0
648.38348	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.38
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
53.81574	0.3
55.01753	0.8
57.03323	3.1
59.01248	6.0
61.59113	0.3
61.98682	0.5
67.01772	0.3
68.99677	0.6
69.03328	0.8
70.22237	0.8
71.01253	9.6
72.99184	2.2
73.02809	0.9
75.00744	18.8
80.47557	0.3
81.03323	0.3
83.01260	1.7
84.02043	0.3
85.02820	18.5
87.00751	4.7
89.02313	2.8
91.58858	0.3
95.01271	2.5
96.95884	0.8
98.20535	0.3
99.00752	2.9
101.02321	3.0
112.01526	0.5
113.02326	15.0
114.02703	0.5
115.00231	1.1
116.01004	0.5
117.01814	0.5
119.03378	0.4
125.02333	1.7
129.01793	0.5
143.03369	0.5
157.01291	1.2
161.02307	0.4
161.04471	1.0
175.02373	0.9
179.05513	0.9
191.05444	0.6
209.11746	0.4
235.08125	1.3
249.18561	7.7
249.21181	0.4
250.18938	1.0
253.09279	1.0
287.07648	0.4
305.08539	0.4
312.31113	0.3
337.81631	0.3
397.13443	3.6
398.08145	0.4
398.13400	0.5
415.14493	4.2
423.32782	1.1
437.30539	0.4
439.32089	1.2
440.32169	0.4
451.32074	0.5
453.33658	0.9
469.33130	0.9
471.34927	8.0
472.35022	1.3
527.33508	0.4
571.36578	1.0
572.36816	0.4
647.37958	100.0
648.38318	20.2
661.46637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.8
57.03327	1.7
58.00467	2.4
59.01250	47.1
60.01583	0.5
61.54963	0.2
68.99672	0.5
69.03320	2.5
69.43368	0.2
71.01253	41.1
72.01599	0.6
72.99181	3.0
73.02816	6.3
75.00735	1.1
78.45425	0.2
81.03324	1.9
81.03725	0.3
83.01258	7.0
83.04885	0.8
84.01605	0.3
85.02822	9.1
85.99976	0.6
87.00752	10.3
87.04401	0.3
89.02317	34.6
90.02650	0.4
91.03881	0.8
93.03359	0.5
95.01262	3.0
95.04938	0.2
97.02827	6.2
97.06460	0.3
99.00761	2.5
99.04391	0.7
101.02322	37.1
102.02658	0.8
103.00260	0.3
103.03897	0.6
109.02848	0.6
111.00746	1.0
111.04395	1.0
113.02328	19.5
114.02684	0.3
115.03902	0.7
117.01840	0.3
119.03384	11.4
121.02875	0.5
123.00771	0.2
123.04382	0.2
124.01526	0.4
125.02333	14.2
126.02691	0.4
127.03882	0.5
129.01836	0.5
131.03403	2.2
133.04965	1.1
139.03908	0.9
141.01813	0.7
143.03404	7.4
144.03659	0.3
145.04964	0.4
149.02429	0.2
149.04474	1.3
151.03978	0.3
157.04965	0.4
161.04459	12.5
162.04761	0.3
167.03427	1.1
169.04935	0.5
177.16409	0.4
179.03828	0.4
179.05525	7.4
180.05894	0.3
181.05045	0.2
185.04456	0.6
199.06027	0.9
203.05577	0.5
205.19576	1.3
217.07127	1.1
219.04976	0.3
221.06602	2.3
226.58556	0.2
231.17549	1.2
235.08191	15.2
236.08488	0.7
245.06638	1.0
247.17047	0.5
249.18564	100.0
250.18901	8.7
253.09247	8.0
254.09605	0.4
263.07697	1.7
277.09314	0.8
287.07727	3.1
288.08221	0.2
305.08746	3.5
306.09045	0.2
323.09787	2.0
361.11386	0.6
379.12393	1.0
397.13486	85.4
398.13840	7.1
415.14566	36.2
416.14899	3.3
419.89560	0.2
554.71655	0.2
647.33020	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.5
57.03320	1.6
58.00462	2.4
59.01249	44.0
60.01567	0.6
61.98718	0.5
68.99680	0.8
69.03321	2.6
71.01251	41.7
72.01597	0.8
72.99178	3.5
73.02817	7.4
75.00757	1.0
81.03327	1.8
83.01254	6.3
83.04913	0.7
83.52362	0.3
84.02031	0.4
85.02814	9.2
87.00743	9.3
87.04389	0.6
89.02313	34.3
91.03898	0.6
93.03352	0.5
95.01257	3.5
96.95888	0.5
97.02825	6.2
97.03409	0.6
98.20589	0.5
99.00749	2.8
99.04404	0.9
101.02318	35.9
102.02677	0.9
103.00278	0.5
103.03888	0.7
109.02856	0.7
111.00779	0.6
111.04403	1.4
112.01516	0.4
113.02326	19.1
115.03914	0.8
119.03381	11.0
121.02810	0.8
123.00730	0.6
124.01562	0.4
125.02331	13.9
125.03249	0.7
126.02663	0.5
127.03916	0.6
129.01866	0.6
131.03426	2.1
133.04993	1.5
137.02339	0.3
139.03897	1.1
141.01836	0.3
143.03391	6.8
144.03645	0.3
145.05016	0.6
149.02409	0.3
149.04466	1.2
154.29631	0.3
161.04463	11.8
167.03372	0.6
169.04982	0.6
177.16461	0.5
179.03445	0.4
179.03758	0.5
179.05528	6.1
181.04938	0.4
185.04475	0.5
199.06000	0.5
205.19554	1.2
209.11757	0.4
217.07172	1.0
221.06671	2.2
231.17487	1.4
235.08177	15.9
236.08611	0.5
245.06720	1.0
247.17012	0.4
249.18559	100.0
250.18904	8.4
253.09241	8.4
254.09467	0.5
263.07724	1.2
277.09232	0.8
287.07782	3.0
295.10294	0.4
305.08707	3.4
323.09659	2.1
334.70465	0.4
361.11563	0.5
379.12357	1.2
397.13467	85.2
398.13794	6.7
398.18668	0.6
415.14557	38.7
416.14999	3.0
583.27979	0.3
647.24341	0.5
653.15417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54544	0.3
59.01248	8.7
69.60022	0.3
71.01259	2.4
71.30695	0.6
73.02840	0.7
80.02551	1.0
81.02911	0.3
81.03310	1.7
83.01246	1.1
83.04898	13.3
84.02049	1.0
84.05232	0.5
85.02842	0.6
87.00770	0.7
89.02328	1.8
93.03332	0.6
95.04909	0.9
96.95905	1.2
97.02802	0.3
97.06483	1.0
101.02335	2.3
107.04932	0.4
109.06482	1.3
113.02342	1.4
118.89985	0.3
119.03443	0.5
125.05981	0.6
125.09602	0.5
135.08072	3.3
137.09586	1.5
143.07048	1.5
145.04964	0.3
161.04456	0.9
163.07547	1.0
163.11186	2.8
165.12741	2.0
171.10173	3.1
175.11246	0.3
181.08623	41.0
182.08952	2.7
184.26617	0.3
185.11781	0.4
191.10664	0.8
199.09683	3.7
209.11772	100.0
210.12123	6.1
219.10117	0.5
227.12836	14.6
228.13147	1.0
235.08176	1.6
246.89714	0.3
247.13383	1.0
253.09262	9.8
254.09624	0.6
265.14407	0.5
334.91586	0.3
373.20233	0.6
391.21207	0.5
445.20728	0.4
463.21414	0.4
478.28503	0.4
559.27954	0.7
583.27441	0.6
601.28650	0.7
609.29565	0.9
627.30316	0.9
645.29791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.3
55.71685	0.6
57.03318	3.9
59.01252	4.9
60.01036	0.7
60.80589	0.8
61.98687	2.5
63.48293	0.7
67.01763	1.1
68.99675	1.0
71.01248	9.2
72.99180	3.6
73.02817	1.2
75.00745	24.8
83.01260	1.4
83.04914	1.2
85.02824	21.4
87.00755	2.9
89.02329	1.5
95.01251	2.5
96.95348	0.7
96.95916	1.4
99.00742	2.9
101.02274	0.6
106.66482	0.7
111.00778	2.2
113.02328	14.1
113.18335	0.7
117.01823	0.9
129.01782	0.8
151.82681	0.6
175.02339	1.6
181.08661	3.1
183.10194	1.2
191.05537	1.6
199.13225	0.7
201.11349	0.7
207.10257	0.8
209.11757	6.5
210.12030	0.6
211.13329	2.4
227.12840	3.4
253.09250	0.8
308.60599	0.7
423.32474	1.3
451.32156	2.0
469.33264	10.8
470.33600	2.0
471.35687	0.7
499.34860	0.8
569.34912	2.3
645.36420	100.0
646.36768	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.9
58.00468	2.9
59.01251	100.0
60.01596	1.7
60.99183	1.6
64.55987	1.2
67.01752	1.5
68.62598	1.3
69.03327	2.1
69.35983	11.7
69.68908	1.3
71.01254	63.8
72.99185	2.9
73.02808	15.8
75.29808	1.4
79.95602	2.0
81.03295	1.3
82.72673	1.6
83.01252	6.5
83.04884	2.8
85.02822	22.2
87.00763	4.7
88.98691	5.5
89.02319	41.5
93.03335	2.9
95.01278	7.3
96.71145	1.3
96.95888	7.7
97.02804	2.4
99.00797	3.5
101.02324	30.3
113.02327	43.9
114.02641	1.8
119.03378	18.6
120.58331	1.7
123.04434	1.4
125.02388	2.2
125.06010	1.9
131.03398	3.1
135.04460	1.6
143.03371	5.2
149.04428	2.3
159.02795	1.5
161.04469	14.4
173.04411	1.7
179.05501	9.8
181.08661	3.8
182.09012	2.1
191.05510	10.4
192.05804	1.4
201.11302	2.3
209.11757	15.0
210.12125	7.3
211.12410	3.3
227.12817	1.9
253.09259	2.3
268.20847	1.5
336.05551	1.7
433.98718	1.4
522.14777	2.2
543.28113	38.3
544.21240	1.5
544.28101	7.8
561.29102	27.4
562.29309	3.8
603.30328	2.9
647.17950	2.8
647.34827	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.5
57.03318	0.3
58.00480	0.5
59.01248	10.4
60.24638	0.2
69.03313	0.3
70.56308	0.5
71.01249	3.1
71.04890	0.3
72.99173	0.3
73.02827	0.6
80.02550	1.6
81.03332	1.8
83.01253	1.2
83.04897	14.2
84.02036	1.5
84.05232	0.4
85.02818	1.0
87.00745	0.5
89.02320	2.3
93.03345	0.5
95.01305	0.4
95.04903	1.2
96.95880	1.8
97.02831	0.4
97.06468	1.1
99.00760	0.3
101.02325	3.0
103.00233	0.2
107.04877	0.3
109.02883	0.2
109.06478	1.6
112.57305	0.2
113.02334	1.7
119.03380	0.7
121.06499	0.3
123.08077	0.3
125.05975	0.8
125.09638	0.5
135.08052	3.7
137.09604	1.2
143.03421	0.3
143.07024	1.9
145.05022	0.2
149.09596	0.5
161.04428	1.1
163.07544	1.2
163.08907	0.2
163.11200	3.4
164.11530	0.3
165.12766	2.3
171.10175	3.3
172.10556	0.2
173.09630	0.2
177.09274	0.2
179.05508	0.2
181.08621	43.8
182.08946	2.3
185.11768	0.3
191.05536	1.2
191.10678	1.0
199.07996	0.4
199.09703	4.4
199.13335	0.6
200.09908	0.2
203.14406	0.3
209.11768	100.0
210.12103	6.8
219.10199	0.9
221.11758	0.3
223.13390	0.2
225.11285	0.3
227.12846	14.0
228.13071	1.0
235.08174	1.9
237.11395	0.2
247.13416	1.2
253.09253	10.3
254.09621	0.4
264.21725	0.2
265.14380	0.5
295.20367	0.2
303.19601	0.2
329.17612	0.2
347.18570	0.2
355.18887	0.2
373.20221	0.4
391.21280	0.4
404.11530	0.2
409.21692	0.3
445.20706	0.6
446.21146	0.2
446.27908	0.2
559.27960	1.2
560.28070	0.2
583.27185	0.6
591.27808	0.2
601.28571	0.6
609.29254	0.9
627.29913	1.0
645.29248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77882	1.1
57.03334	1.2
58.00456	1.0
59.01253	25.8
61.98687	3.4
67.01738	1.1
69.03313	3.5
70.15289	3.2
71.01249	11.3
71.04848	0.9
72.99165	0.9
73.02818	6.1
78.95774	1.4
79.95611	8.8
80.96392	7.8
81.03328	1.6
83.01248	2.2
83.04886	4.3
84.02056	0.9
85.02820	5.0
87.00745	4.6
89.02321	3.3
93.03358	4.7
95.04909	0.9
96.95889	100.0
97.02834	1.7
97.06478	2.6
99.00746	1.5
101.02336	6.7
103.00255	9.1
109.02861	0.8
109.06460	2.6
111.04427	1.3
113.02326	3.2
119.03395	1.1
123.08069	1.1
125.02374	1.0
127.03885	1.1
129.24243	0.8
133.02856	1.7
134.03601	2.9
135.04395	1.9
135.08061	4.3
137.58627	0.9
141.01770	1.6
143.03444	1.4
153.09143	1.0
161.04477	1.4
163.11127	2.7
164.98537	7.1
165.12724	3.8
169.08585	1.2
169.12236	3.8
171.10254	1.6
173.04478	2.5
177.01938	1.2
177.09128	1.3
179.03374	1.2
179.05643	0.9
179.07057	3.8
181.08681	5.4
181.12318	1.4
183.13853	1.7
191.04002	1.3
191.05576	15.0
192.05893	1.5
193.04950	2.0
195.10204	3.8
196.10562	2.6
197.08220	1.5
197.11761	17.1
198.12114	1.3
199.13304	1.1
201.11235	1.3
207.10228	7.7
209.11784	38.2
210.12131	5.2
223.13376	1.6
224.16660	0.9
225.11305	8.0
227.12854	10.2
228.13130	1.8
235.08266	1.7
241.00209	3.7
253.09247	6.4
254.09613	1.2
263.20325	0.9
283.01245	1.3
295.10559	1.3
297.24310	2.1
315.25436	11.8
316.25702	1.3
323.35309	1.0
351.07095	1.1
417.87015	0.9
422.29095	9.5
459.29752	4.9
461.20364	3.2
477.30698	24.0
478.31055	4.5
502.28391	0.9
519.31702	9.4
539.25592	2.1
557.26495	16.7
558.26880	3.2
581.20459	1.2
599.27478	57.9
600.28052	8.6
607.26788	1.0
611.25299	2.3
625.26880	3.6
643.26666	36.4
644.26093	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.9
57.03300	1.4
59.01247	36.0
61.98704	2.1
65.03826	1.1
66.71325	1.0
69.03336	5.2
69.64539	5.2
71.01250	17.1
72.99197	2.0
73.02819	3.1
78.98474	1.5
79.95592	2.4
80.02538	2.5
80.96380	17.3
81.03313	9.7
83.01253	3.1
83.04888	28.3
84.02029	2.4
85.02409	1.0
85.02816	6.5
87.00746	4.0
89.02322	7.2
93.03330	7.6
94.97947	3.4
95.01253	1.4
95.04904	3.9
96.95886	22.5
97.02815	10.5
97.06466	4.3
99.00741	4.7
99.04401	1.6
101.02318	11.6
103.00272	1.1
107.04882	1.7
109.02782	1.5
109.06470	44.9
110.03616	2.4
110.06808	1.6
111.04403	2.8
113.02312	7.6
117.06982	4.1
119.03413	2.4
121.06479	3.4
122.29791	1.0
123.04374	5.8
123.08073	1.5
125.02303	1.5
125.05983	1.6
125.09600	3.8
133.06505	6.0
134.03603	2.6
135.04398	3.1
135.08044	25.0
135.09030	1.9
136.05191	1.5
137.09595	3.5
141.01891	1.3
142.02606	3.2
143.07018	3.1
149.06042	1.5
153.09103	4.5
161.04488	3.5
161.09627	2.2
163.07512	3.1
163.11185	26.1
164.11562	1.4
164.98572	3.3
165.12807	2.8
171.10202	4.2
173.04475	1.8
173.05917	1.1
179.05540	1.9
179.07033	25.3
179.10608	2.2
180.07425	1.3
181.08614	76.3
181.12158	7.2
182.08995	2.6
185.00874	1.7
185.11775	3.3
187.09711	1.5
189.09071	2.8
189.82840	1.0
191.05550	25.3
191.07140	2.0
192.05927	1.1
192.52557	1.2
193.04863	1.2
197.08086	9.0
197.11890	1.8
199.09679	9.3
203.07166	2.1
207.10194	96.0
208.10605	5.9
209.11766	100.0
210.12071	7.3
217.12430	1.0
221.11696	1.2
223.13377	3.0
225.00705	3.9
225.11266	58.2
226.11612	3.1
227.12860	13.0
228.13231	1.6
235.08037	7.7
235.13367	1.8
243.12315	1.2
245.11873	1.3
249.11421	2.9
253.09268	27.4
254.09618	2.1
263.12845	2.7
265.14349	1.4
281.13879	1.2
284.44308	1.1
299.14990	1.5
317.17493	1.0
327.15973	1.3
327.19696	2.9
343.19107	1.7
345.20709	3.1
355.96280	1.0
371.18582	10.2
372.18890	1.7
389.19687	7.9
407.21021	1.5
426.77991	1.1
433.16592	1.3
443.19159	4.7
451.13766	1.0
461.20288	30.0
462.20718	4.1
463.22501	1.2
557.26276	7.5
599.27307	4.6
607.27527	14.2
608.27887	2.8
625.28601	25.5
626.28979	4.2
643.29834	62.5
644.30267	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.118
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54197	0.4
59.01247	3.7
61.98688	1.4
64.73283	0.5
65.00191	0.8
69.03323	10.3
71.01245	1.7
71.53236	0.6
73.02836	0.5
79.95589	2.4
83.01244	0.9
85.02829	1.4
87.00759	1.0
89.02299	0.5
93.03338	1.3
95.01230	1.2
95.95089	0.7
96.95885	14.5
97.02827	3.7
97.06435	0.5
99.00764	2.6
99.04379	0.5
101.02313	0.8
107.01260	3.3
108.02065	0.9
111.04401	0.8
113.02302	0.5
116.82072	0.5
116.92751	4.3
117.92750	0.5
119.04850	0.6
120.76193	0.5
123.00819	0.5
123.04427	0.6
125.02299	0.7
134.03607	2.2
135.04427	2.2
137.02356	1.0
141.01848	3.2
148.01581	1.0
149.99498	0.6
151.00278	6.7
155.10753	0.5
159.04398	0.7
163.00262	1.6
164.01031	1.8
169.01396	0.5
172.05173	0.8
173.04468	0.6
177.01851	0.6
178.02563	0.9
179.03346	1.3
181.08640	0.7
184.05200	1.4
185.00847	7.5
190.99728	0.8
191.05502	3.5
199.03961	1.2
200.04709	1.7
202.02629	0.7
203.01892	1.5
208.99049	1.1
215.03377	1.0
215.06969	0.5
216.04300	0.9
223.09760	0.6
225.11372	0.5
226.02594	0.7
227.03468	2.3
228.04193	1.3
229.01468	0.6
229.04929	0.6
242.02147	1.3
243.02942	7.1
244.03615	1.6
255.02910	2.7
256.99744	2.9
257.04501	1.9
270.01703	1.7
271.02487	10.2
272.03265	3.6
275.09213	1.1
283.02560	1.6
283.05753	0.5
285.04120	2.7
287.05710	0.7
293.10117	0.9
299.02051	2.5
299.05627	1.4
299.18604	2.0
300.02728	47.4
301.03079	4.5
311.05643	0.9
313.03561	1.1
314.04321	4.6
315.05090	100.0
316.05402	8.4
327.05057	1.9
328.06055	0.5
329.06351	0.6
337.07004	0.5
339.04971	0.8
357.06140	4.7
461.10724	2.0
479.11758	3.6
561.16125	61.8
562.16412	8.4
641.11896	16.1
641.24969	7.1
642.12378	2.1
642.23401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.6
58.00458	0.3
59.01254	5.3
61.98695	1.6
67.01765	1.1
68.14381	0.4
69.02959	0.5
69.03329	7.4
71.01258	4.7
71.53618	0.7
72.99166	0.6
73.02819	0.9
79.95603	1.0
80.02562	1.0
80.96389	1.1
81.03342	1.4
83.01253	0.8
83.04898	5.0
84.02026	0.6
85.02806	1.4
87.00742	1.0
89.02324	2.7
90.00689	0.4
93.03333	4.0
95.04890	1.5
96.95897	4.7
97.02825	1.5
97.06451	0.9
98.95498	0.5
99.00728	1.0
101.02319	2.7
107.04879	0.4
109.02795	0.4
109.06464	0.8
111.04391	0.8
113.02329	2.1
119.03384	0.6
121.02883	0.5
125.02345	0.6
125.05957	1.4
125.09619	0.4
133.02855	1.3
134.03624	1.4
135.04422	1.1
135.08051	1.5
137.02284	0.6
139.11397	0.4
141.01826	0.8
146.75212	0.4
149.09654	0.5
151.11211	3.1
161.02335	0.7
161.04463	1.4
163.11224	3.2
164.98561	0.5
165.12787	2.5
167.10710	1.3
171.10219	1.9
173.04471	1.6
177.01926	0.6
177.09129	12.8
178.02599	0.6
179.03371	0.9
181.08649	1.1
181.12242	0.7
185.00797	1.2
185.11819	0.4
187.07649	0.4
191.05548	9.1
191.10753	0.9
195.10197	39.7
196.10582	2.0
197.11923	0.7
201.11301	0.5
203.01984	0.9
207.10115	1.1
209.11772	100.0
210.12123	6.5
215.07149	0.5
223.09648	0.6
223.13301	0.7
225.11336	1.9
227.12828	15.3
228.13165	0.9
231.10188	0.5
233.11821	1.3
235.08220	2.6
241.00238	0.5
253.09256	9.9
254.09601	0.5
275.09198	1.6
313.23553	0.5
431.19382	0.6
445.21057	1.0
449.19547	0.8
450.80121	0.4
471.15329	0.5
555.24695	0.6
597.24890	2.5
605.29120	0.5
641.27618	3.4
641.39246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68764	0.5
57.03321	1.1
59.01250	18.4
60.99155	0.5
61.98694	2.2
67.01750	1.5
69.03331	5.5
69.37896	0.5
70.51512	1.5
71.01252	9.5
71.04887	0.8
71.71461	0.5
72.99197	0.8
73.02807	1.7
79.95604	3.1
80.02538	1.1
80.96404	3.8
81.03322	2.1
83.01260	2.3
83.04897	13.8
85.02828	3.7
87.00745	3.1
89.02300	3.4
93.03336	7.9
94.97937	0.6
95.04896	1.3
96.95896	8.7
97.02824	2.0
97.06476	2.1
99.00757	1.1
101.02325	4.8
102.68461	0.5
103.00262	0.7
107.04887	0.7
109.06494	3.0
111.03739	0.5
111.04404	2.2
113.02304	2.1
119.03376	1.0
123.04386	0.6
125.02374	0.5
127.03857	0.5
133.02821	0.8
134.03674	0.9
135.04398	1.3
135.08060	5.6
137.09583	1.5
139.33124	0.4
141.01900	0.5
143.03415	0.6
143.07018	2.0
145.04958	0.9
149.09671	0.5
152.99593	0.5
161.02386	0.8
161.04520	2.5
163.07544	1.6
163.11150	0.9
164.98529	1.0
167.10600	2.4
169.12291	0.6
171.10152	1.3
173.04480	5.0
173.80151	0.5
177.12793	0.8
178.02597	0.6
179.03465	1.1
179.05537	0.5
179.07014	0.6
179.10692	2.1
179.14291	3.8
181.08620	60.4
182.08948	3.4
185.00935	0.8
187.07585	0.6
191.05547	21.3
192.05865	0.9
195.10196	1.1
195.13837	11.9
196.14301	0.8
196.94534	0.5
197.08043	0.6
197.11765	2.7
199.09666	5.9
200.10022	0.7
201.11246	1.1
205.12274	9.7
205.14066	0.8
206.12624	0.5
207.10190	1.7
209.11768	2.7
215.07164	0.7
223.13344	100.0
224.13658	6.7
225.00722	1.5
225.11311	2.9
227.12810	1.1
235.08215	3.5
241.00180	0.6
249.14873	0.8
253.09247	11.0
254.09612	1.0
261.15002	2.6
275.09253	0.7
283.13425	0.6
313.23743	0.9
351.07230	0.6
375.18280	0.5
387.21802	0.6
459.22321	8.2
461.20044	0.6
471.15292	3.8
475.28958	1.1
527.18378	0.8
555.25153	0.9
556.26050	0.5
597.25916	3.9
605.29852	0.6
623.30621	1.1
635.38367	0.5
641.25104	5.0
642.27716	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1565
Annotation	Isorhamnetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
50.14332	0.9
66.09130	0.8
67.54607	0.9
69.59885	5.5
69.60300	1.6
85.09908	1.0
98.19839	1.8
107.01263	1.5
144.66275	0.9
151.00269	3.6
160.39539	1.3
169.01393	1.2
214.02631	1.8
224.22980	0.9
231.74594	0.9
242.02135	10.0
243.02913	9.4
244.03490	1.0
245.00854	2.6
254.02158	1.1
255.02969	1.0
257.04523	2.7
270.01700	15.9
271.02399	10.6
285.03989	8.0
286.04565	2.7
286.51096	1.0
298.01166	3.6
299.01883	4.8
300.02734	15.6
301.03113	1.7
312.02747	1.4
313.03525	46.7
314.04251	19.2
315.05081	32.3
316.05426	2.2
327.05011	2.0
356.05228	1.1
357.06000	2.0
381.92993	1.0
389.35461	1.0
461.06921	1.7
476.09769	9.7
477.10352	100.0
478.10770	13.0
519.11365	7.7
519.18469	1.3
520.11823	1.4
639.15662	13.5
640.15076	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.2
63.02284	0.8
64.99940	0.2
65.00232	0.8
65.00563	0.2
67.89127	0.2
69.03333	1.8
71.01265	0.7
71.53359	0.3
72.99214	0.3
73.02839	0.3
75.00761	0.4
79.95606	0.4
80.96439	0.2
83.01292	0.5
83.72905	0.2
85.02845	0.6
87.00765	0.6
87.25829	0.2
93.03358	1.6
96.95897	2.8
97.02847	0.6
99.00765	0.3
101.02352	0.4
107.01286	0.9
109.02921	0.3
111.04395	0.3
117.03352	4.1
121.02854	0.4
123.04397	0.4
133.02853	0.8
134.03612	2.3
135.00809	0.3
135.04404	1.0
141.01871	0.5
141.03362	0.6
149.06020	0.3
151.00298	0.9
155.04919	1.2
159.04387	1.8
169.01448	0.3
171.04485	0.4
173.04472	0.8
173.05980	0.7
179.03442	0.3
182.03642	1.2
183.04448	6.6
184.04778	0.7
185.00842	1.4
185.02422	1.1
187.03885	0.5
187.07579	0.8
191.05556	4.1
193.04980	3.3
199.03897	0.6
203.01878	1.5
203.10649	0.4
211.03963	2.7
215.05652	0.3
221.40356	0.2
226.02718	0.4
227.03416	3.9
231.10278	0.6
239.03473	0.3
240.22531	0.3
255.02975	38.5
256.03348	3.1
275.09204	3.4
275.11722	0.4
276.09616	0.3
283.02475	100.0
284.02896	9.7
285.03906	0.9
289.07153	0.6
351.07077	0.3
379.06671	0.8
380.91815	0.3
439.08936	0.3
551.21271	0.9
593.21185	0.3
636.43280	1.0
637.22418	0.5
637.34406	0.3
637.44141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91352	0.6
55.26637	0.5
57.03309	1.2
58.00445	1.2
59.01250	46.4
60.01589	0.8
61.13931	0.6
61.49159	0.6
63.82235	0.7
69.03320	6.2
69.90677	0.5
71.01260	7.8
71.53790	1.0
73.02813	2.1
75.45383	0.6
78.95784	1.6
79.95605	4.2
80.96365	1.3
83.04908	0.8
85.02824	3.7
87.00758	1.0
87.04385	2.5
89.02295	3.3
93.03335	1.4
95.01265	1.1
95.04927	1.2
95.95110	1.3
96.95880	16.9
97.02831	2.0
99.00795	1.5
101.02317	6.0
103.00235	1.3
105.03306	1.1
107.04848	0.8
109.02819	0.9
109.06473	1.3
113.02314	2.4
117.03337	1.4
119.03380	1.4
121.02870	1.2
122.03667	0.7
125.53583	0.7
128.03407	0.7
133.02846	3.3
133.10074	0.7
134.03638	17.1
135.04454	4.9
135.08051	0.8
135.11685	1.3
139.03845	0.9
141.01817	1.8
147.08055	1.9
149.02325	1.1
149.06018	1.4
153.09077	1.5
161.02345	1.2
161.09590	0.7
162.03139	4.4
163.11194	40.6
164.11487	2.0
164.98531	1.2
165.12788	0.7
165.40398	0.8
165.98979	0.6
167.10634	1.7
172.81567	0.6
173.04469	1.1
177.09106	2.3
178.02571	1.8
179.03349	1.0
179.10699	4.2
185.00784	1.9
191.05530	5.6
191.15536	0.6
193.05002	17.6
193.12177	1.1
194.05269	1.1
195.10223	1.2
203.01822	0.7
203.10672	0.7
207.10133	0.8
209.11772	8.7
221.11713	1.5
231.10262	5.7
232.10547	1.0
253.09683	0.6
256.99591	1.7
267.13528	0.6
267.15994	14.3
275.09256	25.2
276.09521	2.3
291.15982	0.9
309.17004	5.7
352.99600	0.6
369.15579	3.1
387.16599	23.8
388.16888	2.5
438.95926	0.6
445.18350	0.9
551.21716	2.0
593.22833	6.7
594.22821	1.3
637.23029	4.4
637.32245	100.0
638.22327	1.2
638.32550	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73772	0.9
58.47861	1.0
59.01241	4.3
61.18668	0.9
61.73384	1.1
69.70951	2.5
69.71353	5.7
69.80566	1.0
73.87855	0.9
79.95561	1.3
93.48195	0.9
95.95052	1.1
96.95894	10.6
100.10557	0.9
103.00245	1.2
151.03876	2.4
161.02351	8.0
179.03418	83.0
180.03731	4.3
191.05521	1.8
192.04265	1.2
193.04958	2.9
194.05775	66.3
195.02928	1.9
195.06050	4.3
209.08131	100.0
210.05206	1.7
210.08434	5.0
225.07549	2.1
336.06418	1.1
353.12363	4.7
371.13419	26.6
372.13824	2.9
413.14499	36.3
413.19998	1.9
414.14713	4.7
549.16486	1.5
618.82684	1.1
635.16730	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.251
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
50.85280	0.9
56.43630	0.9
61.98690	1.7
62.07122	0.9
71.53140	1.4
78.06383	1.0
78.95788	7.3
100.49138	1.0
106.88432	0.9
111.31744	0.9
123.48760	1.1
135.44434	1.0
144.51608	0.9
152.99474	4.8
155.11725	1.1
255.23277	4.1
267.93445	1.0
331.43890	1.0
360.96454	1.0
392.17007	0.9
399.14301	1.6
419.19171	1.2
430.14117	2.1
431.18723	3.6
445.16641	4.3
446.21622	1.1
458.17490	3.3
459.18451	1.3
473.15912	3.7
473.20825	1.8
474.16876	7.7
475.17453	2.6
487.17810	1.6
488.18417	7.3
489.19083	6.6
490.19925	5.5
501.19269	2.6
505.22327	4.0
516.17914	1.6
529.18530	1.3
549.21405	1.9
559.23395	1.5
560.21173	1.1
575.22925	19.3
576.23523	9.2
635.25092	100.0
636.25391	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85088	2.3
78.95778	23.8
79.68253	0.9
96.96827	1.8
117.70198	1.0
119.86620	0.9
125.09638	1.3
127.11116	1.6
152.99496	29.4
157.16118	0.9
158.28828	0.9
171.00548	1.7
171.10179	100.0
172.10536	4.7
227.03175	2.7
253.21672	19.1
254.22043	2.2
255.23102	2.1
307.09561	2.3
381.12979	1.4
393.91864	0.9
399.14227	67.1
400.14597	5.0
426.48395	1.2
453.89313	1.1
618.12756	1.2
635.35608	15.9
636.35724	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.4
59.01250	70.6
60.52235	3.0
69.03339	3.3
69.23588	33.0
71.01251	52.9
72.99175	7.1
73.02805	3.8
79.95606	15.0
83.01244	6.3
85.02817	13.7
85.32139	3.3
87.00742	15.8
89.02315	54.8
95.01252	3.6
95.61243	3.7
96.95886	77.7
101.02320	30.0
103.00260	7.5
113.02334	21.8
119.03381	25.6
125.09567	3.6
125.88311	3.2
135.04391	5.8
138.75824	3.2
143.03372	13.4
148.05733	3.2
161.04431	10.6
171.10010	4.6
179.05519	24.4
191.05534	4.5
249.18570	100.0
250.18976	6.9
256.99686	13.2
323.09808	29.4
341.10889	64.9
354.13559	4.0
363.69174	3.9
483.03259	3.9
547.25861	48.3
548.26270	5.8
573.29327	12.9
589.27045	30.5
590.27588	5.5
633.25531	20.0
661.72614	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1616
Annotation	Diosmetin 7-Apiosyl-(1->2)-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01248	1.9
61.98704	0.4
63.02283	0.5
69.03323	0.8
74.81789	0.3
79.95597	0.4
83.01260	0.7
87.00734	0.3
89.02361	0.7
93.03331	0.6
96.95883	5.0
97.02855	0.4
97.23933	0.3
101.02322	0.4
107.01274	1.3
133.02861	1.0
134.03630	0.8
135.04477	0.5
137.04259	0.3
151.00226	1.7
183.04440	0.6
187.03886	0.4
191.05565	1.7
200.04684	0.5
211.03958	0.8
227.03433	1.2
255.02951	12.4
256.03726	4.0
257.04218	0.4
269.04617	1.5
281.04306	0.4
283.02515	4.8
284.03250	95.9
285.03778	11.2
297.04059	4.5
298.04788	2.3
299.05594	100.0
300.05984	7.9
341.06598	0.9
489.10422	0.6
503.11923	1.4
575.14130	0.6
593.15088	5.7
620.13934	0.3
635.16138	59.7
636.16425	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18013	8.4
59.01247	64.5
61.98691	23.5
67.38262	9.9
69.03338	16.5
71.01257	52.8
71.53246	13.4
79.95603	11.3
80.36675	7.2
83.01218	15.7
83.04921	9.2
85.02837	15.3
87.00767	65.7
89.02296	43.0
95.01256	12.6
96.95889	57.2
97.02788	12.2
100.76225	8.0
101.02317	41.0
113.02318	32.2
116.00904	8.4
119.03397	13.0
133.02901	11.4
135.04362	13.6
150.53255	6.9
153.83679	8.9
161.04437	11.2
171.10303	8.9
177.01758	8.4
179.03419	17.6
179.05554	26.4
249.18561	100.0
250.18776	13.6
263.20129	19.9
291.19669	22.6
323.09799	36.0
341.10818	90.2
547.25800	32.6
573.29095	14.4
589.26892	23.1
633.25757	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3846
Annotation	soyasapogenol E monoglucuronide
Peak:m/z	Relative Intensity
55.01742	1.0
57.03330	5.0
59.01242	4.6
60.29256	0.7
61.98692	2.5
69.03320	2.9
71.01250	5.6
71.54327	1.4
71.54691	0.8
72.99191	2.3
75.00748	27.4
79.95593	1.4
83.01256	1.0
85.02821	21.6
87.00723	2.2
93.03333	1.7
95.01267	2.7
96.95879	8.9
97.02834	1.6
98.95458	2.5
99.00753	3.5
101.02316	1.4
112.01526	1.2
113.02325	12.0
115.00304	0.8
127.17503	0.9
129.01901	1.2
133.15085	0.7
135.04390	1.1
135.56377	0.7
141.01802	1.1
161.02377	0.8
171.10257	0.8
179.03464	0.9
181.08627	1.4
185.58089	0.8
185.59766	0.8
191.05533	4.7
209.11693	1.0
211.13374	1.3
212.13663	1.1
213.13820	0.8
275.09109	0.9
455.35110	7.8
456.35294	1.5
509.36224	1.7
545.20782	1.4
545.28668	3.0
555.36725	2.4
587.21545	1.0
587.30011	1.4
631.38464	100.0
632.28601	1.5
632.38806	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3848
Annotation	LMPR0106150003
Peak:m/z	Relative Intensity
55.01756	1.0
57.03327	5.1
59.01257	3.5
67.01753	0.6
68.99681	0.9
69.03334	0.4
69.95153	1.0
71.01254	4.0
72.99182	2.7
73.02818	0.4
73.69018	0.4
75.00748	28.6
76.01065	0.4
83.01273	1.7
85.02825	25.1
85.69187	0.3
86.03194	0.4
87.00766	2.0
95.01273	3.4
97.02856	0.5
99.00759	2.4
99.04407	0.6
105.31628	0.4
111.00746	0.4
112.01580	1.3
113.02335	12.8
115.00274	0.7
116.01030	0.6
117.01801	1.1
117.58080	0.3
129.01842	1.1
135.09830	0.4
139.00323	0.5
145.04945	1.0
145.08569	0.6
146.89787	0.4
147.85356	0.4
157.01346	1.1
162.89290	0.8
175.02362	1.1
191.05498	0.6
284.59872	0.4
401.43124	0.3
405.89890	0.4
409.34808	0.5
453.34064	0.5
455.35040	0.4
555.37128	0.8
587.39655	2.4
588.39587	0.5
613.37579	0.6
631.38495	100.0
632.38861	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.385
Annotation	soyasapogenol E monoglucuronide
Peak:m/z	Relative Intensity
55.01754	1.3
55.68246	0.1
57.03323	4.6
58.03665	0.1
59.01249	2.0
59.06441	0.1
59.40038	0.1
61.98694	0.3
67.01751	0.7
68.99694	0.9
69.03330	0.5
71.01250	3.9
72.99178	2.4
73.02817	0.7
75.00744	28.0
76.01090	0.2
83.01252	1.3
84.02062	0.2
85.02820	23.3
85.99937	0.2
86.03160	0.5
87.00760	1.5
89.02328	0.2
95.01257	2.8
97.02827	0.6
99.00749	1.9
100.32433	0.1
111.00735	0.3
112.01553	1.2
113.02329	12.2
114.02641	0.4
115.00265	0.9
116.01057	0.4
117.01823	0.9
129.01837	1.2
130.99690	0.2
139.00235	0.2
157.01326	1.3
175.02417	0.8
176.05939	0.1
225.32542	0.1
323.06934	0.1
407.33453	0.2
437.34134	0.8
453.33768	1.5
455.35254	6.3
456.35593	1.1
483.34857	0.3
509.36295	1.9
510.36609	0.4
511.34161	0.6
527.37280	0.2
555.36877	2.7
556.37262	0.5
571.36432	0.2
613.37549	0.6
631.38452	100.0
632.38824	19.2
639.54456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.4
59.01252	7.6
61.29852	0.3
71.01239	2.4
72.99169	0.4
73.02818	0.9
74.65192	0.4
79.95612	8.4
80.96392	3.3
83.01216	0.4
85.02827	1.1
87.00725	0.5
95.95114	0.8
96.95889	90.2
99.00767	0.4
101.02308	1.8
103.00250	4.1
113.02330	1.4
116.61738	0.4
122.97475	0.5
138.96941	2.1
150.96947	1.1
152.98567	0.9
164.98576	2.8
180.98056	1.3
191.05582	0.5
205.12314	0.8
222.99133	0.7
234.17059	0.3
241.00237	3.6
259.01263	0.5
271.02551	0.4
280.50647	0.5
283.01245	1.5
300.02893	0.9
301.02768	0.4
315.05096	1.6
395.00735	1.1
447.13303	1.9
465.14325	58.4
466.14584	6.5
468.90900	0.4
507.15399	40.8
508.15732	5.7
533.13080	0.8
551.14398	100.0
552.14734	12.9
588.60675	0.4
631.18335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53207	0.7
78.95773	5.5
93.03306	0.6
95.69572	0.6
105.03364	0.6
105.52808	0.6
108.02084	0.5
123.04376	1.0
133.02824	1.6
146.90620	0.6
151.03958	3.7
152.99484	1.5
161.02344	13.6
162.02747	0.7
178.02748	0.6
179.03418	72.6
180.03731	3.6
193.05005	0.9
194.05771	53.1
195.06125	2.8
209.08127	100.0
210.08453	5.0
277.21725	1.5
281.87445	0.6
314.36667	0.6
363.97385	0.5
501.16190	0.6
631.34473	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.9
55.70374	0.3
57.03319	5.1
59.01255	4.8
61.98678	0.5
67.01746	0.6
68.99680	0.9
69.03327	1.6
69.18056	0.5
69.18360	4.1
71.01252	6.9
72.99171	3.3
73.02828	1.0
75.00748	22.3
76.01086	0.4
79.81607	0.4
79.95609	1.2
80.96398	0.4
83.01243	1.5
83.04891	0.8
84.02025	0.5
85.02823	24.2
87.00750	2.0
89.02334	1.2
93.03342	1.2
95.01256	3.0
96.10950	0.4
96.95889	11.6
97.02821	0.5
97.06488	0.5
98.19759	0.7
99.00755	2.8
101.02328	1.0
103.00256	1.1
109.06480	0.5
111.00775	0.7
111.08039	0.3
112.01524	1.2
113.02333	12.7
114.02694	0.6
114.95731	0.4
115.00253	0.9
117.01825	1.2
125.02340	0.5
125.05949	0.6
129.01820	1.2
135.04414	0.7
136.05339	0.4
137.97398	0.4
139.07640	0.4
157.01335	1.7
169.08629	0.6
171.10162	1.4
173.04483	0.6
175.02359	0.9
179.03459	0.5
181.08604	1.9
185.08170	1.0
185.11780	1.6
191.05536	3.6
192.05838	0.5
197.11786	1.4
199.06035	0.4
199.09694	0.9
199.13306	0.6
209.11789	3.5
213.11293	1.2
227.12851	1.7
241.00195	1.2
253.09361	0.9
256.99680	0.8
401.11017	0.4
449.14862	0.9
453.30222	0.9
455.31662	9.6
456.31955	1.7
483.30914	0.5
509.32803	2.0
511.31125	0.7
541.20599	0.5
555.33276	5.3
556.33539	1.1
569.34961	0.5
587.18048	2.1
628.09729	0.4
631.34912	100.0
632.35229	22.2
632.45905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.8
59.01253	17.8
69.03314	2.6
69.36200	1.7
69.36614	4.0
71.01250	13.0
72.99158	1.0
73.02802	1.4
75.57086	0.6
79.95650	0.7
80.02557	1.6
81.03328	1.8
83.01268	1.0
83.04909	5.5
84.02058	1.5
85.02834	2.5
87.00762	2.9
89.02319	13.4
93.03287	0.7
95.01280	1.0
95.04949	1.0
96.95893	18.4
97.02831	2.3
98.20610	1.5
99.00768	1.2
101.02327	11.4
101.18168	0.6
111.04369	0.7
113.02332	5.4
119.03408	3.9
125.02335	4.8
135.04379	1.2
143.03394	2.1
161.04506	2.3
163.11188	4.8
165.12738	2.4
179.03410	1.1
179.05510	3.2
181.12294	0.8
191.10756	1.2
203.01920	3.1
209.11774	100.0
209.97023	0.7
210.12086	6.7
213.71826	0.6
221.06842	0.8
227.12842	19.2
228.13188	1.1
235.08165	4.5
253.09177	1.0
305.08743	1.5
323.09543	0.6
365.05225	2.1
387.70517	0.8
397.13501	29.5
398.13873	3.0
415.14557	19.4
416.14862	2.3
444.22214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64167	0.5
56.71054	0.6
58.00470	1.2
59.01257	18.0
69.03323	2.2
69.38330	1.1
69.38725	4.7
71.01250	15.1
72.99160	1.3
73.02840	1.5
80.02557	1.5
81.03319	2.4
83.01244	1.8
83.04899	5.4
84.02048	1.7
85.02828	3.2
87.00752	3.2
89.02318	14.6
89.78135	0.6
95.01284	1.0
95.04886	0.8
96.95889	10.5
97.02837	2.1
97.60226	0.6
98.19658	0.9
99.00762	1.0
101.02316	13.3
113.02328	5.7
119.03387	4.5
125.02350	4.9
131.03323	0.8
143.03407	2.1
161.04451	3.3
163.11183	5.3
165.12749	2.5
179.05598	3.2
191.05602	2.4
191.10739	1.7
193.59280	0.7
203.01814	1.1
209.11775	100.0
210.12126	8.4
225.11203	1.2
227.12842	19.0
228.13126	1.2
235.08223	5.0
253.09308	1.0
287.07706	1.8
305.08783	1.4
357.62589	0.8
397.13504	29.8
398.13785	3.8
415.14597	18.3
416.15005	2.2
625.26624	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44953	4.3
53.48638	4.6
56.94064	4.1
59.01250	100.0
61.98707	20.7
71.52982	6.0
83.01230	4.6
96.95936	7.7
97.02824	8.4
109.06461	4.5
116.34967	4.5
124.23571	4.2
127.14756	4.5
130.58302	4.2
141.01625	64.3
141.05458	6.6
142.04991	10.7
169.24989	4.6
181.08632	6.7
189.39934	4.5
191.05524	8.5
197.47287	5.0
209.11754	11.1
211.13322	7.7
225.11256	5.7
249.18690	9.1
275.06076	5.5
301.89615	4.5
339.00076	10.8
355.18930	5.3
441.02945	5.8
507.24393	6.9
609.29071	8.1
627.29468	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3544
Annotation	Adociasulfate 9
Peak:m/z	Relative Intensity
51.76181	0.7
52.06347	0.6
55.01756	3.9
55.46122	0.7
57.03312	3.1
58.00460	2.4
59.01251	51.3
60.01582	0.7
61.98703	3.4
62.66674	0.7
69.03320	1.8
71.01253	53.5
71.33593	1.3
72.01594	0.6
72.99180	3.3
73.02818	10.0
75.00736	1.3
75.16817	0.6
78.95772	1.0
79.95620	2.0
80.02567	0.7
80.96407	0.6
83.01250	5.9
83.04911	3.2
84.02044	1.5
85.02822	23.5
87.00748	3.8
89.02317	30.1
90.11760	0.7
93.03320	1.5
95.01263	4.9
96.95888	18.0
97.02794	1.5
99.00790	4.0
99.01332	0.7
101.02324	35.1
102.02653	1.3
103.00246	1.0
106.04156	0.6
111.00771	3.4
113.02330	20.4
119.03395	13.9
125.02382	1.1
129.01816	4.7
131.03419	1.4
133.02818	1.0
134.54871	0.6
135.08034	0.9
143.03421	2.8
143.07037	0.8
149.04434	0.8
152.99515	0.7
153.41171	0.7
155.10715	1.2
159.02939	2.1
161.04454	8.3
165.12770	0.9
165.33469	0.8
171.10216	1.6
173.04465	1.0
179.05556	3.7
179.06931	0.8
181.08621	11.2
183.10190	19.2
183.13806	2.2
184.10591	0.7
191.05527	5.2
194.48337	0.6
199.09717	2.6
199.13382	1.2
209.11765	30.4
210.12157	2.5
211.13348	23.5
212.13716	1.9
223.13481	0.6
227.12802	5.7
235.08159	1.4
253.09273	5.4
447.22461	1.2
454.49081	0.7
467.30136	20.0
468.30591	3.3
470.11630	0.8
520.78943	0.6
525.28009	0.8
543.28296	7.0
544.28558	1.2
585.20947	0.8
585.29449	3.8
586.30249	0.9
611.29846	0.7
625.58356	0.8
629.35571	100.0
630.35919	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13213	0.9
57.43968	1.0
59.01251	1.5
61.98702	1.3
69.03317	2.0
124.92721	1.0
134.06010	1.6
135.04457	1.0
141.80527	1.0
151.63025	0.9
167.70644	0.9
178.99780	1.6
213.10344	7.2
299.13974	1.3
356.14056	1.3
385.14148	1.9
418.10620	1.3
432.12274	1.2
433.13007	4.0
434.13705	3.0
435.18726	1.6
447.14633	3.3
448.15399	9.5
449.16058	7.5
450.16769	1.5
462.17319	1.3
463.17728	19.2
464.17984	3.9
477.19601	2.4
478.19940	2.9
479.20941	14.9
480.20901	1.8
491.17236	25.9
492.17441	5.5
505.18781	4.8
506.19305	6.3
507.20132	3.4
520.21002	1.8
523.19904	2.1
524.20563	1.4
538.22192	23.0
539.22656	8.3
593.24011	8.7
625.26660	100.0
626.27032	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
71.33229	0.5
73.02809	1.4
76.98019	0.4
79.41133	0.5
93.78545	0.5
97.02886	0.7
98.20571	1.1
130.10045	0.6
134.05984	1.6
136.07622	0.7
157.68793	0.5
187.59627	0.5
191.05472	0.8
211.08751	0.9
213.10257	11.0
214.10634	1.0
215.11758	0.9
237.10194	0.7
267.11255	0.9
297.12567	0.7
299.14017	1.8
314.09387	0.8
315.10059	0.6
327.10309	0.8
328.10678	1.1
330.12454	0.6
341.07965	0.8
342.12473	1.3
355.09839	0.6
356.10071	0.7
368.10629	0.7
370.11694	0.5
384.13541	1.2
385.14224	1.3
386.14670	0.6
390.12198	0.7
398.15079	1.6
404.13406	0.8
405.13544	1.1
419.15399	1.3
420.16394	1.5
421.16525	0.7
432.12573	1.1
433.12814	5.0
434.13571	3.0
435.13818	0.7
439.21222	1.5
446.14258	0.9
447.14639	4.5
448.15326	11.9
449.15976	8.8
450.16605	1.8
461.16324	0.6
462.17471	0.7
463.17764	22.7
464.18246	4.9
465.19232	1.4
475.13931	0.6
477.19714	4.4
478.20078	2.3
479.20853	17.1
480.21176	3.3
489.15948	0.6
490.16409	1.1
491.17197	31.4
492.17612	6.4
505.18863	4.1
506.19489	9.3
507.20334	4.5
508.20496	0.8
519.20184	1.4
520.21155	2.5
523.20135	3.6
524.20325	1.2
525.24646	0.5
537.21362	0.8
538.22205	35.3
539.22644	12.8
540.23541	1.0
552.23230	0.6
558.27997	0.5
561.21472	0.7
593.24017	9.0
594.24524	1.8
625.26630	100.0
626.27014	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.7
56.48786	0.3
57.03327	0.3
58.00457	0.7
59.01253	14.3
61.33359	0.3
68.99702	0.3
69.03315	0.9
70.55102	0.7
70.55502	0.5
71.01254	13.7
72.01546	0.3
72.99178	1.4
73.02816	1.9
75.00751	0.6
80.02535	1.4
81.03341	2.2
83.01264	1.3
83.04894	5.4
84.02048	1.1
85.02829	2.8
85.67103	0.3
87.00742	2.9
89.02319	13.0
90.02673	0.3
93.03320	0.6
95.01263	0.9
95.04885	0.8
96.95909	1.4
97.02835	1.7
99.00761	0.8
101.02321	11.9
111.04375	0.3
113.02332	5.6
116.89722	0.3
117.98907	0.3
119.03394	3.9
125.02362	4.2
125.05963	0.9
126.02656	0.3
131.03392	0.6
132.02536	0.3
133.04993	0.4
135.08035	0.8
140.86461	0.3
141.01880	0.6
143.03381	2.0
147.30838	0.3
149.04448	0.5
161.04485	2.4
163.11201	4.1
164.11559	0.4
165.12758	2.6
179.05518	3.5
181.12317	0.7
185.00882	0.4
191.05518	1.1
191.10808	1.4
199.13358	0.6
203.01878	0.3
209.11778	100.0
209.59041	0.3
210.12129	7.0
217.07039	0.4
221.06674	0.8
227.12843	19.4
228.13220	1.5
235.08188	4.7
253.09297	1.6
263.07706	0.6
277.09387	0.4
287.07669	0.8
305.08850	1.1
323.09976	0.6
397.13495	26.2
398.13773	2.3
415.14563	18.2
416.14755	1.5
449.83167	0.3
625.27271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.2
59.01249	3.9
69.03327	51.7
69.23297	1.9
69.23719	4.1
70.03648	1.0
71.01250	7.0
72.99175	1.7
79.01762	2.1
79.95627	0.7
83.01263	0.9
85.02818	3.6
87.00751	2.1
89.02306	1.0
95.01263	2.1
96.95877	3.7
97.02830	21.7
98.03150	0.8
98.20564	1.1
99.00757	10.4
101.02338	1.7
102.80152	0.6
111.44981	0.5
113.02325	1.5
115.00233	1.5
119.03378	0.7
123.00777	1.2
135.04410	3.9
141.01849	7.1
159.02991	1.0
159.04410	1.5
161.02354	0.8
172.05214	2.5
173.05943	1.6
174.06769	0.6
175.07620	0.9
179.03459	2.2
185.00839	37.2
186.01242	1.5
187.03882	1.8
187.07571	21.3
188.07919	1.7
191.05502	2.0
201.05513	1.7
202.06282	6.9
203.01906	100.0
204.02267	3.7
204.03972	0.7
213.09195	5.7
215.07034	1.6
216.07761	1.2
225.11111	0.7
231.06688	1.1
231.10208	21.4
231.12503	1.2
232.10597	1.3
257.08090	1.5
275.09250	37.1
276.09625	3.3
353.62469	0.7
365.05090	3.4
455.76349	0.6
461.10883	35.3
462.11343	4.5
519.31793	0.9
537.20239	2.2
579.20917	0.8
580.30298	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.6
59.01252	1.7
60.24890	0.8
61.89406	0.8
67.01769	0.9
67.93676	0.7
69.03326	100.0
69.51611	0.7
69.90728	0.6
70.03661	2.3
70.40675	2.6
71.01254	2.6
72.99177	1.9
79.01781	2.4
83.63319	0.7
85.02841	1.3
87.00749	1.1
93.03315	0.7
95.01257	2.7
95.04923	0.8
96.95900	3.5
97.02824	21.1
98.20464	0.9
99.00755	26.9
101.02298	1.1
106.04108	1.7
107.04958	0.9
108.02078	0.9
113.02358	1.1
123.00773	1.7
123.04378	1.6
133.02852	5.6
134.03632	5.9
135.04424	6.2
137.02354	2.4
138.24608	0.7
141.01825	11.0
151.03914	1.2
161.02359	1.3
173.02109	4.3
175.03943	1.1
177.01825	2.4
178.02632	7.2
179.03358	2.3
179.73061	0.8
185.00838	78.5
186.01161	3.3
191.05536	1.6
203.01866	7.4
207.10233	1.2
215.03241	1.1
231.10184	0.9
275.09268	5.7
362.89911	0.8
364.04208	3.4
461.10886	38.4
462.11221	5.4
623.26068	2.4
624.27008	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60718	0.5
56.94075	0.7
59.01243	2.4
64.41978	0.6
65.00203	0.8
67.18488	0.6
69.03310	1.5
70.92610	1.3
71.01250	1.5
74.23010	0.7
79.95585	1.1
81.37430	0.7
83.01268	0.8
85.02825	1.8
87.00804	0.8
89.02316	1.2
93.66206	0.7
96.95898	7.3
97.02796	0.9
101.02384	0.7
107.01258	1.1
109.06469	1.9
113.02325	1.0
125.02310	0.7
128.81627	0.7
145.02811	0.9
146.08649	0.7
151.00259	5.6
161.02339	0.7
163.11116	1.1
167.04930	0.7
178.99818	0.8
183.04411	1.7
184.38649	0.7
185.00839	1.3
191.05562	3.2
199.03931	4.9
201.02034	1.0
203.01921	1.4
207.10225	4.9
215.03442	2.3
225.11269	4.3
226.02649	0.8
227.03490	5.4
242.02150	3.2
243.02971	26.0
244.03445	2.4
255.02937	13.0
256.03397	2.3
256.49463	0.7
257.04581	4.1
270.01669	3.1
271.02475	39.7
272.02963	4.5
285.04013	5.7
286.04718	2.6
287.05560	1.0
299.01968	53.3
300.02682	24.5
301.03009	2.0
313.03546	1.8
314.04312	47.4
315.05072	52.4
316.05444	3.7
357.06134	1.6
397.13385	2.1
415.14676	1.4
547.91284	0.8
620.57037	0.9
623.16187	100.0
623.24805	4.5
624.16577	15.2
624.25824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11318	1.0
56.95586	1.1
57.89318	0.9
59.01249	18.5
60.90325	1.0
61.01451	1.2
61.98686	1.6
70.05313	2.4
70.05717	3.0
71.01266	6.2
72.99185	1.0
73.02811	3.7
75.00736	0.9
79.95608	22.1
80.96373	4.1
81.03313	1.0
83.01286	1.8
85.02824	2.4
87.00724	1.9
89.02329	2.0
95.95100	16.5
96.95886	100.0
97.02829	1.3
99.00716	1.2
101.02325	5.7
103.00258	8.6
113.02348	1.3
115.62038	1.0
119.03359	1.8
133.02924	1.3
134.97473	1.9
152.98509	2.3
164.98508	8.1
176.98596	1.1
194.99568	1.9
224.74695	0.9
225.00679	5.2
236.78465	1.1
238.98569	2.2
239.98650	1.0
241.00156	1.9
256.99664	3.4
267.01901	2.3
275.09177	1.0
275.20081	2.0
293.21121	1.5
299.00769	2.9
391.47025	1.0
395.58578	1.1
455.26590	2.7
497.27509	3.1
535.22174	22.7
536.22522	2.9
577.23187	73.4
578.23529	8.6
603.20490	1.7
621.22150	18.8
622.22272	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71414	1.4
59.01250	2.1
69.12031	1.4
71.45229	2.0
85.14924	1.4
103.19063	1.4
191.05499	1.9
277.21933	1.5
296.93839	2.0
401.17761	1.9
428.16364	3.3
429.16534	1.8
441.17160	1.9
443.18710	5.1
444.19455	5.3
445.20828	9.6
446.20789	6.4
447.21848	1.7
457.20288	7.1
458.20978	5.0
459.22525	15.8
460.22388	3.6
461.16653	2.4
461.23355	6.0
471.17706	9.5
473.24121	2.6
474.21664	11.9
475.21832	2.8
485.19922	15.5
486.20581	32.7
487.21002	7.8
488.18127	8.0
489.18677	9.3
489.23004	17.4
490.23831	3.9
499.21384	3.1
500.21823	2.8
501.22974	100.0
502.23367	19.9
503.20541	2.3
504.21191	2.4
512.18762	2.4
516.17957	11.4
518.23206	15.7
519.23456	3.9
527.20966	10.5
530.19714	2.4
533.25995	29.0
534.25378	6.6
535.19995	2.6
544.21136	4.9
544.47858	1.6
545.21918	58.6
546.22278	12.2
548.20544	18.5
549.20874	3.8
559.23566	15.3
560.23737	3.7
561.21338	7.2
562.22113	20.1
563.22626	2.8
577.24463	21.9
578.24976	3.8
593.24500	2.4
621.23419	26.7
622.24139	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.4
61.98708	0.7
62.95656	0.2
62.96264	0.2
69.03334	1.6
69.97549	1.0
71.01247	0.5
71.04875	0.9
72.66164	0.2
78.95774	100.0
85.02811	0.3
96.95915	1.6
96.96838	5.7
97.02830	0.6
98.19925	0.2
99.00776	0.3
101.02351	0.2
115.07526	0.7
122.06006	0.5
127.11156	0.6
133.02847	0.3
134.03661	0.4
135.04405	0.6
141.01779	0.3
152.99469	0.8
154.16226	0.3
163.11180	0.3
167.14371	1.2
169.12254	5.9
171.00552	74.5
172.00940	1.2
174.75473	0.2
178.02689	0.4
179.03419	0.5
185.00894	0.8
194.15446	0.2
203.02000	0.6
207.10231	0.7
211.13498	1.1
212.13594	0.2
225.11324	0.3
229.14392	5.6
230.14737	0.3
236.16579	0.4
238.14500	0.6
241.18089	1.2
275.09344	0.4
280.15567	1.5
283.19150	4.1
284.19565	0.3
450.28357	0.7
457.15073	0.2
461.10971	0.3
536.18866	0.3
537.23767	0.5
623.25964	0.9
623.36646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.1
58.45558	1.5
59.01251	14.2
60.74078	1.4
61.98698	17.6
69.03330	14.4
69.33109	13.5
69.33513	2.3
71.01248	7.1
72.99160	1.9
73.02814	3.3
78.95808	1.8
79.95600	1.8
85.02830	4.5
87.00737	2.7
89.02311	1.6
93.03340	5.3
94.07863	1.5
95.95087	1.6
96.95893	22.1
97.02837	4.4
98.03160	1.5
99.00764	4.5
99.92444	1.5
103.13206	1.5
111.04411	1.6
113.02358	2.4
114.50856	1.5
133.02843	4.7
134.03575	2.4
135.04396	3.9
137.02332	2.3
141.01846	4.1
163.00262	1.6
173.04462	3.5
177.01811	3.9
179.03392	3.6
185.00879	6.1
188.92915	1.6
191.05539	4.8
202.99779	6.7
203.01895	4.9
214.06454	1.8
229.08624	15.2
251.35133	2.1
256.03702	2.4
256.99567	2.2
269.04535	3.8
273.07712	7.5
275.09259	1.7
281.04593	3.2
284.03220	15.3
296.03220	6.9
297.03882	6.1
299.05569	20.0
308.03336	3.4
309.03973	15.7
310.04688	6.5
311.05652	12.8
312.06192	4.4
323.05566	3.3
324.02625	2.2
325.07123	15.6
336.02814	12.7
337.03528	19.1
338.04239	3.4
339.04916	2.9
351.05045	30.2
352.05737	7.1
373.25772	2.7
381.09851	4.2
425.08777	100.0
426.09268	9.8
439.35165	1.7
487.12573	2.2
589.15759	11.2
590.15747	2.0
621.18445	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	1.4
59.31889	0.4
68.54394	0.5
69.47568	3.2
69.88757	0.4
74.11031	0.4
78.74004	0.4
89.03834	0.6
96.95889	3.5
98.19855	0.9
101.87502	0.5
105.03312	0.8
111.05802	0.5
118.70926	0.5
119.83015	0.4
123.04359	0.8
135.04472	0.5
151.03918	1.6
152.79605	0.5
155.80611	0.4
156.22606	0.5
161.02335	6.9
162.02698	0.6
175.62180	0.4
178.02647	0.6
179.03413	62.4
180.03745	3.1
190.25307	0.4
193.04878	0.7
193.46820	0.4
194.05777	60.1
195.06113	3.0
208.07292	0.4
209.08131	100.0
209.46266	0.5
210.08473	5.9
280.41608	0.5
315.05136	2.4
333.81787	0.5
353.12320	0.9
371.13422	24.4
372.13983	2.6
395.00775	1.5
413.14542	9.7
414.14856	1.4
571.99591	0.5
590.03418	0.5
619.29761	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42630	0.8
59.01235	1.6
62.98539	0.9
64.65469	0.9
64.85815	0.8
69.23637	6.5
69.24045	2.1
70.24448	0.9
96.95914	2.5
98.20550	1.7
105.56925	0.9
108.49096	0.7
108.89628	0.8
112.46783	0.8
113.35426	0.8
117.30541	0.9
132.12932	0.9
140.16985	0.9
145.14580	1.0
151.03917	1.6
156.59154	0.8
161.02364	8.7
178.02641	1.1
179.03423	63.8
180.03748	3.9
193.05025	1.5
194.05774	59.2
195.06143	2.8
209.08131	100.0
210.08546	6.2
327.32474	1.0
371.13492	14.2
372.13953	1.0
395.46136	0.9
413.14536	16.5
414.14835	2.0
461.92474	1.1
631.37653	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2557
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
71.16453	2.0
74.70808	0.8
78.95772	2.9
116.89359	0.8
126.75314	0.9
133.46176	0.8
134.41553	0.9
152.99484	2.9
198.31915	0.9
256.13925	1.1
345.36520	0.9
360.06693	1.0
372.28003	0.9
377.27792	0.9
401.14032	3.1
415.15536	2.7
416.16370	12.3
417.16858	1.5
430.17725	2.6
431.18973	1.0
434.17407	1.4
450.36600	0.9
459.18234	100.0
460.18616	16.9
473.19910	14.8
474.20416	6.8
475.20721	1.8
485.15997	1.0
501.19446	1.1
503.17352	2.6
504.17218	1.4
517.18878	2.1
518.19556	44.3
519.19934	7.0
531.21118	0.9
532.21252	7.7
533.21906	77.6
534.22272	15.0
543.20789	1.4
587.23120	4.7
588.23090	1.3
619.25580	77.2
620.25934	16.8
636.62677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.0
59.01250	4.6
59.63418	0.4
61.98684	0.8
67.64998	0.5
69.03321	2.7
71.01252	3.6
72.04418	3.4
72.99180	1.0
73.02786	0.6
75.00723	0.6
79.95612	10.1
80.96378	3.6
81.80352	0.5
85.02822	4.8
87.00768	0.6
89.02328	1.0
92.99261	0.5
93.03354	0.7
95.95103	2.8
96.95887	100.0
97.02824	2.4
98.20589	1.1
99.00769	1.9
101.02329	0.9
103.00257	1.9
110.97466	2.0
113.02335	1.2
115.03918	0.6
115.80109	0.5
116.03386	0.6
128.03433	0.5
129.01819	2.2
133.02817	1.4
135.04417	0.8
138.96992	1.1
141.01872	0.9
150.01662	0.7
150.96951	0.9
152.91719	0.9
152.98520	1.5
159.02827	0.9
164.98561	2.8
167.08275	0.6
168.97987	0.8
176.98477	1.1
177.01770	0.9
177.03969	4.8
179.03381	1.1
180.98094	0.7
185.00798	0.9
187.69768	0.7
191.05534	2.5
194.92743	0.8
203.01801	0.7
238.07846	0.8
238.98647	3.2
241.00095	2.8
256.99701	35.2
258.00052	1.0
259.01053	0.6
299.00769	0.8
324.98746	1.2
328.05896	2.0
395.14133	0.7
398.03784	0.6
461.18463	7.9
462.18814	1.8
479.19537	40.9
480.19952	4.8
503.19724	0.8
521.20740	0.8
534.21057	0.7
535.22443	3.1
547.18500	15.2
548.19269	2.2
560.21960	2.7
561.21881	0.6
565.19659	2.3
577.23645	1.2
620.23828	25.6
621.23834	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3535
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
55.01755	1.3
57.03321	4.9
57.13229	0.2
59.01247	2.1
61.98682	0.3
67.01751	0.8
68.99678	0.8
69.03310	0.3
71.01254	5.4
71.08428	0.4
72.99180	2.5
73.02808	0.4
75.00743	28.5
83.01263	1.3
84.02029	0.3
85.02821	26.8
85.99968	0.3
86.03172	0.6
87.00746	2.1
89.02306	0.5
94.39928	0.2
95.01259	3.2
96.95855	0.2
97.02836	0.6
98.25737	0.2
99.00753	2.5
101.02311	0.3
103.00291	0.2
111.00735	0.6
112.01542	1.4
113.02327	13.3
114.02651	0.2
115.00259	0.8
116.00996	0.5
117.01823	1.3
121.88737	0.2
129.01811	0.9
130.99802	0.3
145.12909	0.2
154.64159	0.2
157.01324	1.1
171.10155	0.3
175.02397	0.7
207.10191	0.3
209.11763	0.4
225.11215	0.2
301.96512	0.2
322.89230	0.2
357.24591	0.2
421.30966	0.4
437.30682	1.1
439.32138	7.2
440.32407	1.2
467.30896	0.2
493.33310	2.1
494.33667	0.6
495.31107	0.6
511.34518	0.2
535.34589	0.2
539.33771	3.2
540.34155	0.6
574.23370	0.2
597.33936	0.9
615.35352	100.0
616.35669	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58674	0.2
56.60921	0.2
58.20144	0.2
59.01252	4.1
65.03830	0.4
66.95629	0.2
79.05388	0.3
89.03865	0.9
93.03329	0.3
95.04918	0.2
96.95870	1.2
97.02812	0.5
98.19747	0.6
105.03343	1.0
107.04942	0.3
123.04439	0.9
124.09451	0.3
133.02846	1.4
135.04443	0.6
151.03923	2.9
153.01859	0.9
153.20212	0.2
161.02353	12.7
162.02713	0.6
176.04648	0.5
177.01874	0.9
177.24725	0.3
178.02629	1.1
179.03418	77.1
180.03741	4.4
192.04196	0.7
193.04993	1.9
194.05775	49.9
195.06137	2.8
207.06544	0.6
208.07367	0.6
209.08133	100.0
210.08458	6.3
221.08174	0.3
251.09187	0.7
275.09326	0.3
301.87012	0.2
353.08380	0.4
353.12408	5.6
354.12845	0.5
371.13605	1.8
390.80740	0.3
413.14526	19.4
414.14923	1.8
617.28143	0.9
631.03406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	11.2
61.98701	5.0
67.37347	0.4
69.03310	0.6
71.01247	1.8
71.53313	0.6
73.02821	0.5
75.96998	0.4
79.95608	24.2
80.96385	1.9
83.04899	1.6
85.02833	0.8
85.86926	0.4
87.00756	0.8
89.02347	1.0
93.03336	1.6
95.95111	17.9
96.95889	100.0
97.02847	0.8
97.95801	0.4
99.00692	0.6
101.02364	2.1
103.00253	7.9
113.02340	1.0
124.79405	0.4
127.11192	0.4
134.97490	1.5
136.99060	0.6
138.97018	0.4
143.03261	0.4
150.96992	1.6
152.98534	3.5
155.07051	0.8
161.04427	0.7
164.98538	1.8
171.30980	0.5
173.04427	0.8
173.08044	0.5
177.03935	0.6
180.98035	1.3
181.08650	3.9
191.05606	1.2
194.99586	1.4
197.01210	0.9
199.09587	0.5
201.11253	11.0
209.11765	6.7
210.99202	0.4
225.00700	7.0
227.12764	0.7
238.98546	0.8
241.00194	6.6
245.00986	0.4
253.09248	2.1
256.99695	4.4
267.01718	2.2
276.72119	0.4
283.01349	1.0
299.00708	1.7
376.98856	0.4
377.05365	0.6
403.21683	0.4
466.69278	0.5
481.16931	0.6
515.15533	0.4
533.16998	34.7
534.17194	4.4
575.18042	19.7
576.18042	3.7
601.15588	0.4
619.16888	13.7
620.17352	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	4.7
57.26263	2.5
59.01255	98.1
67.01768	4.1
69.03326	19.7
69.63206	14.8
69.63635	4.4
71.01258	32.2
72.80245	2.3
73.02830	6.6
78.95774	5.4
79.95606	6.6
81.03323	2.9
83.01264	3.5
83.04900	13.9
84.79948	2.5
85.02831	25.2
87.00751	8.8
89.02328	12.0
91.88409	2.5
93.03328	26.1
95.01260	3.7
95.04943	2.8
95.95028	2.4
96.95893	34.9
97.02834	7.3
97.06477	3.0
98.20537	4.2
99.00755	7.2
101.02332	18.5
109.02869	2.3
111.04392	3.2
113.02339	16.4
114.78806	2.4
119.03439	5.0
119.04884	8.4
125.02374	3.7
127.93988	2.3
134.02611	2.2
134.03612	2.8
135.08015	6.8
137.09587	4.5
141.01790	4.4
143.03352	3.0
151.00243	3.6
155.10638	3.2
161.04449	3.0
162.33815	2.3
163.03899	8.6
163.07539	4.1
163.11206	3.1
173.04489	10.6
173.05914	2.4
177.01857	2.7
179.03409	3.3
181.08624	75.0
182.08958	3.0
185.00819	8.8
187.07530	3.7
191.05542	78.7
192.05855	3.0
203.01878	4.7
203.38939	2.8
209.11765	100.0
210.12119	8.4
211.13304	8.0
253.09148	4.5
271.02460	4.4
295.05798	3.3
300.02695	5.9
301.03445	3.7
355.19180	3.8
361.29550	5.6
373.20084	6.4
391.21246	3.5
397.13312	4.5
413.41455	3.0
417.15323	3.9
505.33792	78.5
506.34259	12.8
523.18701	4.2
523.34814	17.4
565.19751	9.9
565.35809	4.5
566.20868	3.1
577.23212	3.2
591.56140	2.7
609.14313	6.2
609.23157	2.3
609.29694	15.6
610.29822	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2509
Annotation	Karajinone B
Peak:m/z	Relative Intensity
59.01255	9.9
61.98711	3.1
63.53518	0.9
69.03317	5.5
71.01266	1.5
71.53916	1.4
85.02859	1.2
87.47723	1.0
90.06619	1.1
92.15182	1.1
96.95885	2.1
99.00759	1.1
120.08058	2.5
120.30898	1.0
121.05264	2.1
122.06007	13.2
125.02402	1.3
133.02863	3.5
134.06029	5.7
135.04419	8.5
136.07578	1.0
159.34674	1.2
160.06316	5.9
161.02341	5.0
178.02493	1.0
179.03462	5.4
183.10210	1.5
191.05559	3.2
203.01836	2.0
213.10274	27.8
213.12291	1.5
214.10527	2.8
215.11839	16.0
223.08696	1.4
225.10298	2.9
226.11139	2.0
239.11858	21.6
240.12109	2.5
241.13416	16.4
242.13774	1.9
265.09973	1.2
265.13400	1.2
267.11392	2.9
283.10800	2.8
283.13483	1.9
285.12433	100.0
286.12762	9.7
293.12915	2.9
295.10834	1.4
296.11597	2.6
325.11838	8.6
383.38449	1.0
412.49277	1.2
432.19217	1.0
435.14371	2.1
449.16095	3.9
450.16919	1.4
463.17456	6.6
464.18582	6.0
465.18845	5.1
467.24252	2.3
477.18933	2.3
478.19992	5.2
479.20721	11.3
491.24600	5.2
492.24442	1.6
493.22391	26.0
494.23041	7.5
511.23627	1.3
535.23468	56.6
536.23792	12.2
538.22144	16.1
539.22662	4.4
579.22461	19.6
580.22467	3.4
611.24908	15.1
612.25470	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.4
61.98685	1.0
67.01755	2.0
69.03319	2.8
71.01258	4.5
71.49465	1.1
71.54626	1.3
72.99194	1.0
73.02845	0.8
74.02330	1.4
79.95591	2.5
83.04884	1.0
85.02831	4.4
87.00755	3.3
93.03332	12.1
95.01283	1.1
96.04443	1.1
96.90021	0.9
96.95889	16.9
97.02805	1.2
98.95525	1.1
99.00729	1.1
99.81928	0.9
101.02332	1.7
103.00220	1.6
108.02056	53.7
108.81944	0.9
109.02864	11.0
111.04366	1.5
112.03930	1.1
112.07554	1.2
113.02321	1.8
123.00761	0.9
125.03403	1.7
126.09370	1.0
129.80005	0.8
135.04433	2.0
137.02344	1.4
137.07097	1.7
152.01056	100.0
153.01620	4.0
163.03944	3.3
164.98663	0.9
165.06613	1.2
173.04456	4.2
174.38963	1.1
179.03410	2.5
183.13858	4.9
187.07581	1.0
191.05559	20.4
192.05959	2.2
195.10222	2.0
195.13800	3.6
197.11765	2.8
209.05690	1.7
209.11934	1.1
213.14919	11.5
219.83510	1.1
225.05113	5.0
227.12837	1.2
241.07494	1.0
253.04678	12.3
271.05685	5.5
280.33160	0.9
399.09262	10.7
400.09409	1.5
417.10397	3.9
527.22125	2.3
563.21075	1.6
569.22284	4.0
577.22845	3.6
595.23779	2.0
613.25018	88.2
614.25421	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16006	1.8
55.01754	2.9
57.03323	1.6
59.01251	76.0
61.62112	1.6
61.98692	6.4
65.51576	1.7
69.03323	100.0
70.03675	2.7
71.01269	20.0
71.53873	3.3
72.99174	8.5
73.02815	4.2
78.95765	2.4
79.95625	6.2
80.96390	26.9
85.02828	13.6
87.00763	9.6
89.02364	4.4
93.03341	7.5
94.97972	4.6
95.01260	6.8
96.95894	21.6
97.02831	35.4
97.06439	2.2
97.57401	2.1
99.00760	23.6
101.02322	8.1
111.04433	2.6
113.02348	6.9
119.04903	13.0
123.00732	4.0
125.02325	3.3
133.02823	4.4
134.03581	5.2
134.97450	2.0
135.04443	4.7
141.01825	28.3
161.02339	5.5
161.04482	4.5
162.03145	2.8
163.03891	20.7
164.98509	5.9
173.04468	7.7
173.05896	2.8
174.06795	2.2
179.03453	4.1
185.00829	69.5
186.01146	3.3
186.06804	1.9
187.07645	4.3
191.05573	10.6
201.05666	3.3
203.01884	9.3
209.11768	3.6
214.06236	4.7
215.07057	3.4
222.80461	1.8
225.00685	6.5
229.08543	2.5
230.09465	2.3
231.10233	4.6
241.00151	2.7
274.08572	2.3
275.09253	12.0
283.13303	4.2
299.04379	2.3
359.27972	2.2
397.13016	2.6
403.17188	2.2
487.32773	35.4
488.32968	2.8
503.32410	3.4
505.33768	10.3
521.19861	7.1
547.34869	3.8
548.35223	2.2
551.45007	2.0
563.21710	2.1
563.34344	5.2
589.19183	3.4
607.24530	31.3
608.24762	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Rutine
Peak:m/z	Relative Intensity
65.00194	1.3
69.63287	2.1
69.63719	3.4
76.76370	0.7
93.03333	1.0
96.95881	3.2
98.19810	1.6
107.01257	2.9
108.02045	1.4
109.02808	1.5
121.02834	2.0
129.45844	0.8
148.01540	1.4
151.00269	13.3
163.00266	3.4
178.99803	6.5
191.05513	2.0
199.03743	1.1
211.03859	1.8
226.02582	2.1
227.03351	3.8
243.02953	10.9
244.03526	1.4
245.04504	1.3
245.52310	0.8
254.02147	1.7
255.02962	26.0
256.03317	2.4
271.02466	53.9
272.02908	4.4
273.04092	1.2
283.02417	1.4
299.02167	1.8
300.02731	96.9
301.03467	38.2
302.03851	2.3
397.06265	0.9
523.18665	0.9
609.14575	100.0
610.14941	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.0
59.01247	6.3
61.98701	9.8
63.96123	1.0
64.34284	0.5
65.03828	1.2
67.01775	0.6
69.03330	5.2
69.19436	6.3
70.03654	0.6
70.44099	0.5
71.01252	13.2
72.99187	0.9
73.02808	2.6
78.95805	0.5
78.98471	6.6
79.95603	13.7
80.96388	71.9
81.03316	1.7
83.01273	1.1
83.04886	2.0
85.02814	3.3
87.00742	5.0
89.02318	1.5
91.05386	2.7
93.03337	1.9
94.97960	16.0
95.01257	0.8
95.04912	0.8
96.95892	4.7
97.02841	2.4
97.06488	0.7
99.00732	1.7
101.02329	4.7
103.05427	0.6
106.97971	2.4
107.04913	1.1
109.06457	0.8
111.04408	1.7
113.02381	2.6
119.04912	2.2
122.97497	2.7
123.07991	0.7
125.02335	3.1
125.09602	3.6
134.03699	0.7
134.97467	5.3
135.04381	1.3
135.08063	0.6
136.99020	0.9
141.01863	1.0
143.07037	1.3
145.02832	0.7
148.99046	5.5
152.98531	6.6
159.11702	2.3
161.04422	1.0
162.75935	0.6
163.03900	1.5
163.07521	1.3
164.04242	1.0
164.98544	11.9
171.10159	1.3
173.04424	1.4
178.02698	0.7
181.08650	4.1
185.00771	1.1
185.09602	4.0
185.11737	2.9
187.07593	2.3
187.09503	0.5
191.05542	3.4
197.11769	1.0
203.10674	1.5
206.99683	2.9
209.11739	6.1
211.13327	1.7
220.15294	0.6
225.00687	14.3
226.00970	0.8
235.08118	1.0
235.13329	0.6
242.07925	0.5
247.13272	1.5
253.09293	1.3
261.14917	1.9
275.09256	0.6
292.11566	0.6
299.04453	3.6
311.22311	2.2
327.19397	0.7
329.21237	2.8
337.18182	0.7
345.20630	0.7
355.14908	0.8
355.19058	5.7
356.19446	0.9
373.20285	4.3
374.20334	0.9
391.21103	1.4
475.88998	0.6
523.21027	0.6
536.13049	0.6
536.29877	2.5
591.28088	25.8
592.28345	3.6
609.25775	100.0
610.26117	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25878	1.2
55.01767	2.2
57.03327	2.7
58.00467	2.0
59.01254	63.2
63.61267	1.2
65.25715	1.0
69.03321	24.6
69.26218	1.5
69.26615	10.9
71.01254	24.2
72.99177	2.4
73.02838	6.2
79.50420	1.3
83.01263	3.1
85.02820	11.0
85.99981	1.1
86.00513	1.0
87.00743	1.8
89.02328	10.1
92.84888	1.0
93.03326	2.1
95.01281	3.6
96.95902	11.0
97.02822	8.7
99.00758	8.2
101.02325	13.4
110.92780	1.1
111.00784	1.8
113.02331	15.2
119.03398	1.8
119.04929	3.6
121.02865	1.4
121.10130	4.0
127.54675	1.0
133.02852	5.7
141.01878	5.3
143.03410	2.8
159.02873	1.8
161.02356	2.2
161.04460	4.8
163.00325	3.1
163.03908	7.2
166.08614	1.2
185.00813	16.1
191.05577	3.0
201.14900	8.1
203.01802	2.6
241.00117	1.3
253.05141	2.5
269.04453	1.7
275.09329	2.1
284.03354	1.6
285.04007	12.5
286.04434	1.6
297.04047	23.5
298.04791	25.2
299.05453	4.8
309.04080	6.7
311.05594	8.9
325.03439	7.7
326.03931	2.0
327.05142	8.2
337.03568	15.9
338.04166	1.7
339.05164	2.8
341.26776	1.6
345.19183	2.4
349.05859	1.4
359.27979	3.4
363.20178	3.6
365.06415	1.8
367.04547	1.7
411.07144	37.3
412.07477	7.5
425.08676	3.0
467.15750	1.4
473.10791	7.3
474.10617	1.4
503.32266	100.0
504.32611	15.8
521.33246	18.8
522.33667	3.1
563.34534	3.0
575.13794	15.9
576.14294	3.4
607.16565	25.3
608.17261	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34589	2.0
52.57629	1.9
55.01764	5.6
57.03324	4.2
59.01250	89.0
61.38917	2.3
61.98702	4.2
62.40741	2.1
67.01772	3.8
69.03326	100.0
69.40883	18.3
70.03662	2.3
71.01254	28.5
72.99171	9.4
73.02822	6.3
75.00788	3.4
78.95766	3.1
79.01776	3.8
79.95615	6.3
81.03362	2.5
83.01265	9.0
83.04900	2.5
85.02853	15.2
87.00746	13.1
88.98618	2.0
89.02324	7.4
93.03359	11.3
95.01263	8.8
96.95885	37.3
97.02822	55.4
98.03152	2.7
98.19698	2.5
98.95463	2.4
99.00758	26.1
101.02303	16.5
103.00264	3.0
111.00775	4.6
113.02330	12.6
116.92767	2.8
119.04922	6.3
121.02804	2.4
121.10144	2.4
123.00810	3.6
124.01540	4.1
125.02308	4.4
134.03609	5.3
135.04416	3.3
137.02405	3.1
141.01840	57.0
142.02161	2.7
144.30040	2.3
161.02345	3.7
161.04488	3.7
163.03912	7.9
173.04453	6.0
173.05865	3.8
177.01729	2.5
179.03377	3.1
185.00836	61.3
186.01147	2.6
186.06764	2.7
186.57457	2.2
187.07533	8.0
191.05515	15.3
201.05501	3.4
201.14857	5.8
202.06107	2.4
203.01880	22.6
209.11780	7.0
211.07581	3.7
213.09108	2.8
214.06332	6.1
215.06949	4.9
229.08736	6.1
230.09357	3.8
231.10176	3.3
271.02106	3.1
274.08484	3.9
275.09302	8.0
283.06165	4.3
299.01956	3.0
300.02722	6.0
311.05713	10.7
315.05075	10.0
315.73297	2.3
327.16061	3.0
341.06085	2.4
341.26932	3.6
345.19376	4.1
359.28168	3.8
371.14893	3.4
397.13782	2.8
413.08563	2.9
449.14709	3.5
487.09341	3.4
503.32233	77.7
504.32300	12.8
521.20636	3.8
521.33124	22.3
547.11426	4.8
563.33954	5.7
607.13300	5.0
607.27936	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.5
55.85150	0.9
57.03313	2.8
58.00461	1.5
59.01252	74.0
65.41888	0.8
67.01751	0.8
69.02958	1.8
69.03326	29.1
71.01255	30.9
71.53591	1.1
72.99174	2.8
73.02831	6.2
78.95775	1.5
79.01774	1.2
83.01274	3.0
85.02822	15.4
85.99955	1.6
87.00764	4.6
89.02313	10.2
93.03334	2.5
95.01265	5.5
96.95891	12.2
97.02846	9.1
97.06429	0.8
99.00760	10.7
101.02327	14.2
109.02847	1.3
111.00746	1.8
113.02335	17.1
119.03359	2.8
119.04900	4.3
121.10114	3.8
123.00770	0.9
125.02312	1.6
127.11184	1.3
129.01868	1.1
133.02814	5.6
134.03456	1.0
135.04477	1.0
141.01842	8.0
142.42232	1.0
143.03351	1.6
155.10667	1.1
157.12198	0.9
159.02901	1.8
161.02344	1.6
161.04472	5.3
163.00244	2.4
163.03906	7.5
171.13716	1.0
173.04446	1.1
173.06015	1.0
175.00301	1.8
175.03915	1.9
185.00842	20.9
186.01213	1.2
187.07587	2.3
191.05507	4.7
201.01852	1.4
201.14865	5.7
203.00047	1.3
203.01895	4.6
209.11768	1.2
215.06876	1.0
225.05563	1.7
227.03297	1.4
253.05176	1.3
255.02931	1.8
258.61179	1.1
268.82690	0.9
269.04523	1.5
275.09167	3.4
284.03149	2.8
285.04083	12.1
286.04260	1.2
287.68298	0.9
297.04047	17.9
298.04794	22.2
299.05481	5.3
308.03366	1.2
309.04022	6.9
311.05585	8.0
312.06174	1.1
323.05600	1.3
325.03561	6.2
325.07144	1.3
326.03961	1.0
327.05103	6.2
327.15775	1.1
328.04974	1.0
330.03604	1.8
336.02673	1.0
337.03525	11.1
338.04095	1.8
339.05042	3.0
341.26843	1.5
345.19025	3.0
351.05072	1.5
353.02615	1.1
355.04651	1.2
359.28055	3.6
363.20361	2.6
367.04330	1.5
393.05951	1.2
411.07193	34.7
412.07532	5.8
425.08551	6.0
429.08441	1.5
446.98468	0.9
467.15839	1.2
473.10730	7.9
474.11191	1.5
503.32263	100.0
504.32520	19.5
521.33252	18.6
522.33606	2.7
547.10651	1.1
563.34363	3.4
564.34436	0.9
575.14075	13.9
576.14203	2.7
607.16620	23.4
607.39294	0.9
608.17059	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2431
Annotation	Tiliasine
Peak:m/z	Relative Intensity
55.01751	1.7
55.63157	1.3
59.01242	5.7
61.75516	1.1
61.98705	18.9
63.96092	1.7
67.01762	1.9
69.02956	2.4
69.03325	37.7
71.01254	10.7
71.53672	1.5
73.02798	2.8
78.95789	1.9
78.98466	6.6
79.95607	19.8
80.96391	76.9
81.03329	2.3
85.02824	5.2
87.00750	7.6
93.03335	15.8
94.97961	15.9
95.01266	2.4
96.95901	12.2
97.02828	9.4
99.00759	8.8
101.02301	4.3
106.97965	3.3
111.04392	1.6
113.02380	1.4
118.94106	1.5
119.04910	22.2
122.97451	3.7
125.02334	2.0
125.09607	1.4
127.03884	1.7
133.02869	1.6
134.03629	4.3
134.97450	5.6
141.01826	4.0
148.99022	5.5
149.02371	1.1
152.98509	5.9
152.99617	1.4
161.02312	2.9
162.03111	4.3
163.03908	42.7
164.04259	2.2
164.98514	12.1
172.05363	1.4
173.04459	14.4
177.01880	1.5
177.89470	1.3
185.00838	26.4
191.05522	4.8
201.05531	1.9
206.99672	1.9
209.11639	2.6
224.98659	2.1
225.00682	15.1
230.03317	1.2
241.00098	1.3
275.09290	6.0
299.04504	2.8
323.74670	1.4
353.17596	1.7
389.14209	1.9
433.13315	1.5
521.20251	1.9
575.15625	2.3
607.24274	100.0
608.24353	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.243
Annotation	Tiliasine
Peak:m/z	Relative Intensity
50.60294	0.4
59.01241	1.7
61.98700	4.1
62.97378	0.5
63.96111	1.5
69.03318	3.3
71.01256	9.0
71.54284	0.7
71.54673	0.6
72.99191	0.6
73.02824	1.0
78.95774	0.9
78.98461	5.9
79.95606	16.8
80.96389	69.1
81.03333	0.9
81.38420	0.5
85.02810	3.1
87.00763	3.4
93.03339	2.6
94.97958	15.4
96.95905	4.6
97.02842	2.9
99.00761	1.5
99.04424	0.5
101.02330	2.8
106.97309	0.6
106.97937	3.0
111.04440	0.6
122.97482	3.2
125.02339	2.6
134.03638	0.5
134.97482	5.5
135.04404	0.9
136.99028	1.5
148.99031	4.9
152.98520	5.2
152.99525	0.7
161.04474	0.7
164.98540	12.7
173.04469	3.0
185.00790	1.4
191.05508	1.3
206.99577	1.9
209.11824	0.7
211.13321	0.6
225.00682	13.1
226.01112	1.1
241.00240	0.8
251.27863	0.5
275.09103	0.7
299.04343	2.7
339.11667	0.5
343.95331	0.5
389.14255	0.6
427.12451	0.8
441.14536	0.7
492.97839	0.6
607.24286	100.0
608.24609	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2559
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.69666	2.6
81.37165	3.0
102.30386	3.0
359.55640	2.9
430.21414	4.4
431.22562	16.5
432.22610	4.6
445.23929	6.9
447.25259	5.0
459.18073	5.2
459.25662	6.8
460.22772	29.3
461.22760	3.6
471.21933	10.5
472.22580	29.3
473.23254	7.2
474.20422	17.9
475.26089	23.7
487.25043	86.1
488.25534	19.6
502.20163	22.1
503.19827	5.5
504.25403	6.2
513.23163	7.2
519.23480	8.5
519.28729	4.9
531.23975	100.0
532.24335	17.3
545.25562	4.7
548.24072	13.4
563.26709	21.9
564.26843	6.1
575.23218	4.1
607.25305	16.6
608.26105	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.8
59.01248	8.8
59.44522	0.5
69.03320	1.6
69.27061	4.6
71.01243	3.0
73.02815	2.3
85.02809	2.6
89.02316	1.6
90.02305	0.5
96.95886	0.7
97.02814	1.0
101.02323	1.2
107.01254	0.5
113.02304	1.2
119.04930	0.6
120.94347	0.5
132.02104	0.6
133.02853	2.9
151.00290	0.8
154.81514	0.5
163.00334	1.1
163.03893	0.7
175.00285	0.8
177.01840	1.3
185.00818	1.3
201.01851	1.2
202.99800	4.4
209.11826	0.6
230.39680	0.5
240.04340	0.6
251.03458	1.0
255.02974	0.7
255.06415	0.5
256.03613	1.3
264.04214	0.9
265.05038	1.1
268.03745	2.3
279.02933	1.6
280.03482	1.0
281.04489	0.8
284.03253	14.8
285.03775	1.0
293.04587	0.8
295.02234	0.7
296.03226	4.5
297.03806	2.6
298.04742	1.5
299.05624	20.2
300.05872	2.4
308.03235	5.1
309.04010	16.5
310.04709	6.7
311.05557	9.0
312.06134	1.4
322.04846	0.9
323.05646	3.8
324.02625	0.8
325.07123	17.0
326.07556	1.9
327.04950	1.2
335.05447	1.0
336.02728	13.2
336.06512	0.7
337.03467	16.6
337.07391	1.2
338.04089	2.5
339.04980	1.7
341.06461	0.8
350.04401	0.9
351.05069	32.9
352.05661	6.8
353.06470	2.0
364.05859	0.9
365.06934	1.2
366.07178	1.1
379.08237	1.2
381.09866	4.7
397.08975	0.8
407.07712	1.8
425.08749	100.0
426.09103	12.8
487.12283	1.0
589.15839	2.3
606.08972	0.7
607.16681	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.0
57.03329	0.9
58.00460	1.6
58.66626	0.4
59.01249	37.0
69.03335	2.4
69.33313	1.5
69.33744	1.9
71.01249	26.5
72.01585	0.3
72.45993	0.4
72.99184	3.3
73.02814	4.7
74.71992	0.4
75.00746	0.9
79.95604	1.2
80.02541	1.5
81.03329	3.2
83.01261	2.4
83.04897	6.8
85.02818	6.6
87.00746	6.7
87.84084	0.3
89.02312	20.9
92.63463	0.4
93.03333	0.7
95.01272	1.7
95.04882	1.0
96.95885	8.2
97.02835	4.0
97.06487	0.4
99.00771	1.3
99.04388	0.4
101.02318	19.2
103.03869	1.7
109.02869	0.8
111.00758	0.4
111.04400	0.9
113.02325	8.0
119.03391	6.0
121.02859	0.4
123.00823	0.6
125.02341	6.6
126.87450	0.3
131.03397	1.1
133.02835	0.9
133.04967	0.4
135.08049	1.1
141.01839	1.1
143.03378	3.7
144.46672	0.4
149.04445	0.7
158.88548	0.4
161.04471	4.6
163.00255	0.5
163.11198	5.0
164.98482	0.6
165.12781	2.1
167.03435	0.6
175.00316	1.4
179.05510	4.0
181.12279	0.9
185.00838	0.6
191.05551	0.8
191.10693	1.2
199.06038	0.5
203.01907	0.7
209.11768	100.0
210.12106	5.5
221.06578	0.8
235.04242	0.4
235.08185	7.3
241.00209	0.5
251.03375	0.7
253.09270	2.6
262.66879	0.3
263.07687	0.8
268.03610	0.4
269.04599	0.6
277.09476	0.6
280.03708	4.6
284.03308	1.8
287.07593	2.0
288.28214	0.5
296.03201	1.3
297.04041	4.1
298.04761	6.1
299.05478	1.9
305.08707	2.3
307.02441	1.9
308.03232	15.4
309.03915	4.4
310.04758	0.9
311.05444	2.0
312.06281	2.3
313.07004	0.4
323.05603	25.8
323.09384	1.3
324.05930	2.1
325.07068	1.2
337.03558	0.4
338.04181	0.6
339.04962	0.7
340.05469	0.4
341.06662	4.5
342.07086	0.5
344.05276	1.2
353.06638	3.4
355.07935	0.4
365.06537	1.2
371.07642	3.0
379.12408	0.6
383.07623	1.5
385.09308	0.6
397.13467	33.4
398.13751	1.9
413.08569	0.5
415.14551	23.1
416.15060	1.2
428.07288	0.7
443.09778	19.7
444.10214	2.6
461.10391	0.4
467.15921	5.6
487.12558	2.3
503.11890	0.6
534.13562	0.5
535.14722	2.0
564.17340	0.5
607.16638	36.8
608.17480	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.4
59.01251	4.4
63.37550	0.3
69.03325	1.2
71.01253	3.3
71.52622	0.5
72.04414	3.0
72.99182	0.7
73.02830	0.9
79.95606	11.3
80.96391	4.8
81.03308	0.5
83.04910	0.6
85.02843	2.5
87.00738	1.4
89.02319	1.8
95.95105	2.1
96.95889	100.0
97.02836	0.7
97.95818	0.4
98.95413	0.4
99.00787	0.7
101.02328	3.8
103.00271	2.2
103.15993	0.3
110.97458	2.1
113.02322	1.2
119.03412	0.5
122.97466	0.7
125.02332	0.6
133.07449	0.5
138.96965	1.0
141.01834	0.3
143.03404	0.4
150.96942	1.1
152.98552	1.5
159.24033	0.3
161.04541	0.4
163.11128	0.5
164.98538	7.0
180.98016	2.9
185.00826	0.7
191.05573	0.9
203.01865	0.5
209.11766	7.1
233.69241	0.3
235.08318	0.6
241.00215	5.5
253.09175	0.5
256.99768	0.9
259.56906	0.4
269.34262	0.4
283.01511	0.4
397.13705	1.8
415.14624	1.4
447.13272	3.8
465.14343	73.9
466.14661	7.3
473.10913	1.2
507.15268	2.2
520.14539	2.3
533.13330	20.9
534.13739	2.8
546.16400	4.2
547.17194	0.7
551.14319	2.6
562.15936	1.6
563.15302	0.7
564.17261	0.8
606.18652	37.0
607.19238	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26564	3.1
59.01236	4.9
65.00183	3.8
70.29040	11.9
71.01263	4.3
74.92467	3.2
75.72567	3.6
79.95605	60.3
83.01244	5.3
89.02316	5.6
95.95094	5.2
96.95885	100.0
99.64745	3.3
107.01270	9.4
112.95382	5.1
123.00755	5.5
125.02308	6.9
137.02322	5.0
139.00259	7.3
147.15916	3.2
148.01375	3.6
151.00287	38.1
152.00954	7.9
153.01836	9.8
153.21468	3.2
161.26802	3.2
163.00229	7.9
164.00975	6.9
167.03514	3.2
169.01405	3.4
175.00278	12.6
178.99738	14.2
193.01361	6.6
204.79904	3.0
209.11717	13.6
214.02486	3.3
215.03369	6.2
217.01460	3.9
221.02542	3.9
231.03072	4.4
242.02158	6.4
243.02908	15.4
245.00789	6.6
259.02322	14.7
270.01709	3.6
271.02499	24.5
272.02875	4.2
275.05310	3.4
286.01169	11.1
287.01868	11.9
300.02695	5.2
301.03268	6.7
303.05045	31.3
315.01413	11.6
315.05063	25.4
319.04752	3.4
329.02988	10.1
331.04620	5.8
341.05075	7.9
347.03851	10.7
415.14755	4.2
449.07278	8.0
451.08798	5.2
466.11368	8.2
477.06616	23.3
478.07300	13.1
479.07690	4.0
491.08344	3.6
493.09543	7.6
543.38043	3.9
557.05719	19.7
571.80206	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	17.0
69.03323	7.1
71.01236	4.9
71.30154	5.1
73.02800	3.7
85.02842	5.0
88.07399	2.1
89.02282	2.2
96.95879	6.4
97.02821	3.1
103.03931	3.2
133.02843	16.0
161.02281	2.8
163.00262	8.1
163.03949	2.7
175.03889	3.4
185.00826	3.6
195.73676	2.3
201.01846	5.5
202.99826	5.1
253.05164	3.3
255.02882	2.6
269.04605	5.2
284.03140	6.4
285.03995	33.9
286.04111	3.3
296.03342	3.3
297.04013	50.2
297.49124	2.1
298.04800	48.7
299.05484	17.3
307.17630	2.1
308.03204	11.1
309.03967	20.2
310.04721	3.9
311.05585	39.3
312.06094	5.4
323.05597	19.0
325.03391	9.0
325.07169	7.1
326.04083	2.9
327.05106	13.6
336.02786	2.9
337.03516	32.2
338.03864	5.4
339.04953	10.2
341.06653	3.7
351.05042	10.4
365.06335	2.4
367.04199	4.1
393.06253	4.7
410.34473	2.3
411.07190	100.0
412.07361	10.6
413.08810	8.5
425.08762	33.9
426.08942	6.6
445.11453	5.0
473.10687	18.5
474.11377	2.9
487.12000	3.5
575.14075	51.9
576.14136	6.6
589.15601	55.8
590.15845	7.6
607.16754	38.3
608.17145	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47505	0.3
62.85823	0.2
70.82001	0.5
70.82326	0.3
106.06508	0.4
244.74104	0.2
299.94128	0.3
394.11890	0.3
415.15329	0.6
416.16629	0.7
426.18234	0.4
428.16089	0.6
429.17197	1.0
430.17892	1.6
431.18277	0.4
442.17831	0.5
443.19299	0.7
444.19376	0.4
445.19934	0.3
455.18942	0.3
457.20801	2.1
458.20929	0.8
459.17563	2.6
460.18436	0.8
461.23502	0.4
467.18686	0.3
469.20419	0.4
470.21222	0.9
471.18274	2.0
472.18906	1.1
473.19623	5.2
474.20184	0.7
475.21201	0.6
485.18472	1.4
485.23645	1.1
486.20572	4.2
487.21808	1.6
488.21161	0.4
496.19183	0.7
499.17682	2.3
500.17459	0.6
501.23892	3.1
502.20853	0.8
503.20816	0.4
511.21381	2.8
512.22028	0.6
513.19324	2.5
514.20105	9.0
515.20313	1.5
517.18695	0.7
518.19397	2.2
519.20465	0.3
528.21686	0.9
529.22455	100.0
530.22791	19.9
530.31165	0.6
532.21063	1.6
533.21942	1.8
534.22223	0.6
561.25159	0.9
573.21362	0.9
605.23920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85630	0.5
56.83939	0.4
56.90762	0.5
59.01268	0.5
65.03857	0.6
69.44734	0.4
70.13319	1.8
78.95779	1.0
89.03851	0.6
95.04973	0.5
105.03342	1.5
123.04404	1.1
126.61150	0.5
133.02843	1.4
135.04488	0.6
143.05240	0.5
151.03909	3.7
153.01837	0.7
161.02344	15.6
162.02710	0.6
179.03423	70.9
180.03755	3.3
191.58867	0.5
194.05782	50.2
195.06113	2.7
209.08139	100.0
210.08473	6.9
227.36371	0.4
247.35742	0.5
249.18607	1.6
327.52966	0.5
520.84076	0.6
596.95587	0.5
603.31348	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.0
61.98702	100.0
66.88462	0.2
69.03329	1.1
70.29853	0.6
70.30230	0.4
71.01252	0.4
79.95621	1.1
83.58469	0.2
85.02850	0.3
93.03326	0.3
96.95885	4.3
103.00274	0.4
108.46650	0.2
165.36925	0.2
185.00870	0.5
191.05627	1.0
192.33040	0.3
256.99734	0.4
278.93765	0.2
518.17957	0.8
519.18488	0.4
560.19208	0.4
604.16681	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08612	1.7
51.19251	1.4
57.03321	2.1
57.58632	1.7
58.00461	2.3
59.01250	27.7
69.03326	8.6
71.01242	17.7
72.99176	3.4
73.02815	30.5
74.06374	1.5
79.95603	6.0
85.02831	7.7
87.00743	2.7
89.02307	5.7
93.03341	2.8
96.95888	31.9
97.02821	4.6
98.20556	3.6
99.00761	2.8
101.02332	7.5
117.01825	73.8
119.03387	2.3
121.41534	1.6
133.02867	7.6
134.03676	1.6
145.02805	1.6
161.02351	2.2
163.00272	5.2
171.10246	2.0
175.00282	3.5
185.00833	3.3
191.05510	5.4
202.99808	2.5
203.01859	3.1
225.05579	2.3
227.03595	2.0
231.10159	1.7
241.00343	2.7
251.03371	2.0
253.05096	2.0
256.03320	2.1
257.08115	2.6
268.03656	4.4
269.04556	6.9
279.03073	1.9
280.03732	5.1
284.03253	14.0
285.03546	2.6
293.04684	1.8
296.03232	4.4
297.04007	27.1
298.01376	2.8
298.04803	49.9
299.05457	12.6
307.02441	6.0
307.05862	1.7
308.00046	2.8
308.03290	26.9
309.03952	13.1
310.04602	2.4
311.05566	8.4
312.02838	3.4
312.06357	13.1
313.07120	4.5
320.03311	2.1
323.02225	2.5
323.05612	35.1
324.02676	13.2
324.06079	3.0
325.03345	4.7
325.07233	6.2
327.05084	16.9
335.05649	4.3
336.02661	2.8
336.06299	2.4
337.03433	10.8
338.04202	6.1
339.05032	22.5
340.05481	5.5
341.06638	49.0
342.06989	4.0
344.05380	13.7
351.05109	5.7
352.02081	2.0
353.06305	2.8
364.05869	4.3
367.04492	8.0
379.08371	5.1
380.04974	2.5
381.06100	3.0
383.07944	2.1
395.07596	10.7
396.07959	1.7
397.09506	10.6
405.06064	2.2
408.04852	4.7
423.07211	100.0
424.07611	13.5
425.08829	9.1
441.08102	13.8
441.82538	1.6
465.14313	4.2
485.10681	2.5
487.12451	77.7
488.13031	12.1
513.10046	3.0
561.16638	2.2
562.26971	2.4
587.13989	10.5
605.15045	32.4
606.15851	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.5
59.01248	12.6
69.03329	1.7
69.87139	0.3
71.01250	3.3
71.28935	0.4
71.53367	0.4
72.99186	0.6
73.02803	0.8
75.00751	0.5
78.95759	1.9
79.95605	28.8
80.96399	1.9
83.01237	0.4
83.61150	0.3
85.02811	2.5
87.00764	0.5
89.02341	0.7
90.17729	0.4
93.03324	0.5
95.95108	9.0
96.95888	100.0
96.96885	2.5
97.02821	1.7
97.06464	1.1
97.95797	0.7
99.00748	1.1
101.02312	1.0
102.70304	0.4
103.00250	7.8
105.03336	1.0
113.02341	0.7
115.03893	0.4
122.97446	0.7
129.01831	1.3
134.97519	1.8
138.96928	0.9
141.01880	0.6
150.96992	2.9
152.98511	2.8
157.08664	0.6
159.02838	0.7
159.51768	0.3
164.98502	0.8
168.98009	0.6
176.98480	1.7
177.03976	3.3
180.98059	0.6
183.10196	0.4
185.00787	0.4
185.11722	0.6
191.05502	2.3
192.05899	0.4
194.99657	2.0
201.11240	1.1
209.11818	0.6
219.13942	0.5
238.98645	3.6
241.00215	3.2
256.99701	24.2
258.00070	1.1
280.91382	0.4
299.00769	5.8
342.99768	1.0
462.89432	0.4
503.15466	0.5
517.17462	48.8
518.17773	6.5
541.17603	0.5
559.18530	22.5
560.18726	3.6
585.16394	0.7
603.17517	15.7
603.26202	0.9
604.17908	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52934	3.6
57.03341	4.6
59.01245	65.3
61.98698	8.8
69.03315	11.7
71.01241	15.8
71.54283	4.4
79.95605	11.8
83.01260	4.4
85.02817	5.7
87.10629	4.2
89.02312	12.6
93.03349	4.6
95.95100	8.7
96.95885	49.3
97.06441	6.5
101.02332	14.7
103.00221	7.2
108.18097	4.1
113.02345	8.8
125.09589	8.1
137.09564	5.9
161.04416	8.6
163.11115	7.7
171.10149	6.4
185.11716	10.0
191.05495	13.2
191.14342	12.9
191.59340	4.0
203.07082	3.8
207.10185	5.2
209.11806	37.8
245.19040	24.7
253.09279	42.0
256.99716	11.4
263.19971	7.8
289.18085	96.8
289.21133	8.2
290.18353	7.9
307.19147	100.0
308.19324	10.6
342.99832	11.1
483.36496	4.5
543.28235	6.1
603.18231	5.4
603.27271	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	4.2
60.99160	7.9
63.15363	1.3
64.18655	1.4
69.03316	9.6
71.01241	1.7
77.12054	1.4
78.95770	4.6
87.00743	5.0
88.00291	13.7
88.98677	53.2
89.02316	100.0
90.02660	1.8
96.95869	1.9
97.02824	3.0
98.20637	3.5
133.02892	6.6
135.04424	11.1
141.01834	2.4
152.23036	1.3
152.99463	2.2
161.02353	11.8
162.02675	1.9
171.10188	2.2
179.03398	9.0
180.03889	2.0
185.00761	1.9
203.01833	3.7
255.10246	2.2
277.21722	2.0
278.21918	1.9
279.22559	1.6
398.00787	1.3
414.58640	1.8
522.21826	1.6
539.92834	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83904	5.7
52.05761	5.9
53.28962	5.0
54.16188	4.6
59.01245	49.9
59.87523	4.7
61.98705	20.1
63.88834	5.6
65.16619	4.9
71.01256	15.8
71.53510	9.3
77.53469	4.8
79.95623	18.3
83.04938	6.2
85.02815	5.8
87.00746	6.9
89.02325	10.5
93.03316	7.6
95.95129	7.0
96.95896	91.5
97.02837	8.0
101.02324	12.8
103.00201	6.2
111.85394	4.7
113.02363	7.6
119.41194	4.5
123.04407	5.1
133.02896	6.9
161.02391	5.5
163.11211	15.1
185.00864	5.7
191.05511	19.5
202.14870	5.1
209.11787	27.1
225.11382	7.3
245.19040	16.9
253.06644	8.3
253.09196	57.2
289.18073	97.6
290.18396	13.0
307.19135	100.0
308.19598	10.3
333.13873	5.6
373.31812	6.4
516.92200	5.4
517.20697	17.3
521.20703	23.8
559.21167	6.8
603.19092	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.1
57.03307	1.7
57.48727	0.8
58.00462	2.5
59.01251	55.0
61.98704	3.3
69.03333	3.1
71.01254	39.4
71.04881	4.4
71.53649	1.4
72.99178	4.5
76.66425	0.9
79.95604	2.0
83.01254	1.5
85.02821	10.0
86.02356	1.3
87.00729	2.2
89.02316	35.2
93.03357	1.6
95.01276	3.1
96.95887	11.9
97.02795	1.1
97.06512	2.4
101.02321	18.5
111.08068	1.0
113.02341	12.2
115.07554	6.9
119.03384	15.0
127.11166	4.8
131.03383	2.0
133.02843	1.6
135.04437	1.8
143.03424	3.0
149.04436	1.2
156.10182	3.5
158.11757	3.3
161.04367	2.1
165.12753	21.2
166.13118	1.4
169.12277	13.9
171.10101	1.6
179.05533	3.6
182.15378	2.3
183.13831	14.0
185.00816	1.4
191.05580	7.8
195.17380	2.4
203.01840	1.4
209.11783	4.2
212.13545	1.0
212.16461	1.5
218.08002	0.9
219.17410	2.5
224.16475	6.5
226.18050	8.8
227.12837	11.7
237.18552	5.7
239.16425	1.0
263.20154	4.2
270.17148	6.0
281.17603	2.3
306.20752	1.7
306.85257	1.0
324.21924	4.9
325.22263	1.4
330.27829	1.4
342.99710	1.1
377.36481	1.0
404.28281	1.3
422.29123	100.0
423.29370	17.0
452.95969	1.2
517.16992	1.2
524.73395	0.9
602.26410	1.3
602.35480	16.8
603.35822	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46917	0.8
52.58928	0.7
55.44054	0.8
59.01252	4.3
69.03321	1.6
69.29506	7.1
69.29930	1.6
71.01240	2.3
73.02820	4.7
79.95621	1.4
80.46803	0.7
85.02798	1.3
87.00730	0.9
93.03347	1.1
95.95174	0.8
96.95889	15.8
98.95476	1.0
101.02303	1.0
103.00257	1.0
117.01814	11.1
125.00580	1.3
133.02838	2.8
143.04477	0.8
150.52213	0.8
153.00018	3.4
163.00249	1.3
163.23032	0.8
171.01073	2.7
183.10052	0.8
189.98947	1.1
191.05600	5.4
203.01772	1.1
209.08109	0.8
222.03244	0.9
223.03955	2.7
234.79099	0.8
235.03918	2.0
239.03430	1.7
240.40346	0.8
242.78802	0.8
251.03435	3.4
267.02954	6.8
268.03595	1.6
279.02884	1.5
281.04343	1.0
295.02448	26.9
295.05792	1.3
296.03049	4.6
297.03818	0.9
306.07468	1.4
308.03494	1.2
309.03995	1.3
323.01953	46.4
324.02460	6.2
325.03305	1.4
336.02509	1.0
338.04306	100.0
339.04791	12.9
381.05695	1.1
395.07813	1.3
466.94302	0.8
470.48288	0.9
485.10910	13.5
486.11084	1.3
515.15930	2.8
603.13464	32.5
603.29059	1.5
604.13690	4.9
618.68176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27744	0.3
59.01242	2.5
60.07072	0.3
60.18293	0.3
61.98707	0.7
69.03311	1.3
69.23230	3.3
71.01265	2.3
72.81684	0.4
72.99182	0.7
73.02812	1.1
78.95782	0.7
79.95610	4.1
80.96403	1.8
83.01241	0.3
85.02830	1.2
87.00739	0.8
89.02332	0.9
93.03328	1.1
95.95139	0.5
96.95888	100.0
97.02853	0.4
98.95466	0.9
100.72289	0.3
101.02308	1.8
111.04446	0.5
113.02332	0.8
115.91966	0.4
116.92744	1.3
122.97482	0.9
133.02922	0.6
135.04417	0.8
138.96983	2.5
141.01837	0.4
149.05989	0.3
150.96944	0.7
152.98523	2.0
158.23726	0.3
171.10294	0.4
173.04495	0.5
177.01860	2.7
179.03426	0.5
180.65762	0.3
180.98094	2.0
185.00824	0.4
191.05577	3.2
192.05893	0.4
198.99059	1.3
209.11917	0.8
241.00218	7.0
256.99661	1.0
259.01175	0.8
410.48294	0.3
449.14471	0.5
499.22321	0.4
515.21149	0.5
521.16681	0.5
527.77789	0.3
557.19995	0.4
571.27985	4.6
572.28894	0.4
601.28949	91.5
602.29346	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90265	0.3
54.98030	0.3
55.01754	0.4
57.03321	1.4
58.00463	3.0
59.01249	59.6
60.01594	0.5
60.04822	0.4
69.03329	1.2
70.86746	0.8
71.01250	55.7
72.01579	0.7
72.99180	3.3
73.02814	3.5
75.00736	0.5
83.01264	5.2
85.02819	9.5
87.00749	15.2
89.02314	49.9
90.02652	0.8
93.27988	0.3
95.01258	3.4
96.95911	1.5
97.02833	1.3
99.00758	1.5
101.02319	26.9
102.02663	0.7
107.03365	0.4
111.00771	0.8
113.02329	26.6
114.02657	0.7
115.03864	0.6
119.03387	19.9
120.03749	0.4
122.62717	0.4
125.02341	1.3
129.01782	0.7
131.03397	3.4
135.04413	0.8
139.00221	0.4
141.01851	1.9
143.03397	8.1
144.03876	0.5
145.18854	0.4
149.04498	1.7
159.02911	0.7
159.04541	0.4
161.02403	0.4
161.04451	8.7
179.05518	19.1
180.05856	0.5
203.05554	0.4
259.20804	0.4
273.22275	0.7
275.19830	0.4
277.21710	100.0
278.22031	10.8
291.23312	6.9
292.23691	0.6
295.85300	0.4
301.21759	1.2
319.22754	3.6
323.09814	13.2
324.10181	1.1
331.22552	0.5
341.10870	40.9
342.11169	3.0
457.61215	0.4
535.78772	0.4
601.32538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.4
57.03321	2.9
58.00459	3.9
59.01249	46.5
67.27207	0.5
68.99673	0.6
69.03323	3.9
71.01251	59.3
72.01584	0.9
72.99179	3.6
73.02814	9.3
74.94750	0.5
75.00736	2.5
78.22039	0.5
78.95744	1.1
79.01733	0.6
83.01254	12.9
83.04890	0.6
85.02814	14.8
87.00748	58.5
87.04384	0.7
88.01084	0.7
89.02313	43.7
90.02666	0.7
93.03332	0.5
95.01256	5.2
96.95880	1.2
97.02815	3.1
99.00744	2.5
101.02319	29.4
107.04884	0.7
111.00745	1.2
113.02327	37.7
114.02657	0.7
115.03884	1.8
119.03387	14.1
125.02366	2.9
125.05968	1.5
127.11111	0.7
129.01813	2.5
131.03372	2.2
135.04407	1.1
139.07521	1.2
141.01825	4.2
143.03375	9.1
149.04451	1.6
159.02901	1.3
161.02376	0.7
161.04463	14.0
162.04797	0.8
171.10117	0.8
178.02652	0.6
179.03296	0.8
179.03780	1.0
179.05531	19.9
180.05914	0.8
233.22675	0.6
255.21080	0.7
260.35626	0.6
261.15027	0.6
261.22324	1.0
263.23645	1.4
273.22144	4.1
277.21716	100.0
278.22037	10.1
280.07254	0.6
291.23285	26.5
292.23532	2.9
301.21674	3.3
319.22794	9.3
320.23209	1.2
323.09811	16.8
324.10193	1.3
331.22766	1.0
341.10858	53.6
342.11356	3.7
349.23880	0.9
583.36090	0.6
601.32434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81297	0.5
59.01252	13.3
61.98698	7.8
69.03337	0.5
69.41434	1.0
69.41842	3.0
71.01251	2.3
71.09007	0.5
72.99195	0.6
73.02813	1.0
79.95609	16.3
80.96377	2.5
81.03323	0.9
83.04909	1.4
85.02833	1.9
87.00729	1.0
89.02325	1.2
93.03337	3.0
95.95113	7.6
96.95890	100.0
97.02850	0.7
98.95488	0.8
100.93635	0.5
101.02312	1.1
103.00249	9.1
111.04410	0.8
113.02342	0.9
129.01857	0.8
134.97482	0.7
137.02342	1.5
138.96948	1.1
144.90678	0.5
150.96976	1.7
151.03836	0.7
152.98494	3.0
164.98584	3.4
173.04488	1.0
176.98508	0.7
177.03960	1.5
180.98070	1.8
191.05527	5.3
194.99699	1.2
224.47908	0.5
225.00745	0.8
233.59828	0.6
238.98763	1.3
241.00230	10.4
253.04755	1.0
256.99704	14.7
283.01291	1.5
285.02829	3.6
299.00916	3.4
313.06308	0.7
327.03903	1.5
353.09219	1.8
412.14276	0.6
413.14993	1.6
455.15961	0.6
461.39804	0.7
495.19128	1.2
513.20117	69.8
514.20349	10.4
555.21124	37.9
556.21552	5.8
581.20569	2.2
598.39343	3.5
599.20099	40.1
599.39673	1.6
600.20374	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	13.4
59.20955	0.8
61.94967	0.8
61.98709	1.6
64.31072	0.7
69.03304	0.8
71.01246	3.9
71.07615	1.4
75.00775	1.3
79.05613	0.7
79.95592	4.4
80.96397	1.9
83.01250	0.8
85.02829	3.6
86.05838	0.7
87.00768	1.1
89.02335	1.1
93.03318	1.1
94.49563	0.7
95.95098	1.3
96.95891	100.0
97.02820	1.9
99.00768	1.0
99.06496	0.8
99.47389	0.8
101.02377	1.1
103.00246	7.5
119.56158	0.7
122.97527	0.9
129.01814	1.1
150.97005	1.1
152.98553	1.3
164.98572	1.5
167.43918	0.7
176.98607	2.7
177.03923	5.0
191.05542	6.1
238.98668	4.9
241.00111	3.5
243.24467	0.7
256.99713	29.6
258.00064	0.8
299.00742	5.6
361.94742	0.8
495.19543	0.8
513.20099	55.9
514.20306	9.1
555.21185	26.3
556.21594	4.1
581.19226	1.4
599.20227	47.7
600.20605	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.3
68.61257	0.2
69.34322	0.9
69.34751	1.3
71.01237	0.3
71.21706	0.2
75.67443	0.2
78.95773	54.5
81.52063	0.3
81.52584	0.2
83.49844	0.2
89.02310	0.4
90.82295	0.2
96.95950	5.3
96.96838	100.0
108.90066	0.8
110.89785	0.5
113.02320	0.2
145.12576	0.2
153.16019	0.2
161.35802	0.2
201.02809	0.2
222.36630	0.3
227.19376	0.3
259.02240	2.5
503.16089	1.6
560.74988	0.3
601.13910	3.4
602.13885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05044	0.4
54.76197	0.4
59.01250	2.4
60.02432	0.4
61.98717	1.1
63.83843	0.3
69.51616	2.0
69.52032	1.1
69.85370	0.4
71.01243	2.1
73.02799	0.4
79.95606	26.0
80.96394	2.6
82.22616	0.4
83.01174	0.5
85.02831	1.3
87.00735	0.7
89.02346	0.8
95.95116	8.0
96.95886	98.3
98.19863	0.5
101.02338	1.3
109.02795	0.6
110.97459	4.5
113.02300	0.6
138.96974	2.0
146.74095	0.4
150.96973	1.3
152.98532	0.7
177.03992	0.9
177.05428	0.5
180.97992	1.1
187.34563	0.4
189.05466	0.5
191.05582	1.0
222.99084	0.6
225.00629	0.9
238.81754	0.4
241.00217	5.5
249.29236	0.4
256.99704	4.3
259.01260	0.7
271.02463	0.5
300.02673	0.9
311.04327	0.5
313.05969	1.0
315.04965	1.5
327.03867	0.8
395.00491	0.5
419.06699	0.6
421.08273	0.7
463.09387	0.8
516.45251	0.5
586.13708	1.1
587.13898	0.6
601.15936	100.0
602.16217	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04794	0.5
57.04991	0.6
58.89086	0.6
59.01250	10.9
70.93052	1.6
71.01261	2.0
73.02795	0.8
78.31049	0.6
79.95607	7.7
80.96391	3.3
85.02811	1.5
89.02312	0.8
95.95116	2.0
96.95888	100.0
98.11537	0.5
101.02336	2.0
103.00247	7.9
113.02331	1.1
138.96979	0.8
150.96950	0.6
151.25999	0.6
152.98511	1.8
164.98570	5.9
180.98064	3.0
191.05620	0.7
191.76305	0.6
225.00626	0.7
241.00226	7.2
251.06926	0.6
256.99597	0.8
285.02737	0.7
293.03714	0.6
306.80688	0.7
373.42749	0.6
375.61038	0.6
413.14810	0.7
425.14877	0.7
441.14297	11.5
442.14221	1.5
483.15216	2.4
484.15869	0.9
495.18982	1.9
513.20074	73.5
514.20404	9.7
555.21167	37.2
556.21570	5.5
581.19318	1.3
599.20123	40.5
600.20483	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45397	0.4
58.02847	8.2
59.01253	2.2
61.98709	1.2
66.03362	1.3
66.97645	0.4
67.01761	0.5
69.03330	1.3
70.02841	0.8
71.01258	1.1
72.00775	1.7
74.02345	19.1
79.95618	1.5
81.04454	1.6
82.02863	1.5
84.04425	1.2
85.02808	0.7
85.03986	0.6
86.02349	7.6
86.05994	0.7
86.98997	2.3
87.00816	0.5
87.05502	3.6
88.03927	0.5
90.00079	1.9
93.03345	1.1
93.04472	0.5
95.95145	0.6
96.04424	0.8
96.95889	13.6
97.03958	2.1
98.95430	0.7
99.05521	15.2
100.03925	0.9
101.02365	0.6
101.07088	2.2
102.05482	2.8
103.00259	1.3
107.06051	1.1
109.03985	3.3
109.07597	1.0
111.05514	1.3
112.03939	1.8
113.03465	0.5
116.01647	1.8
120.01070	0.8
123.05531	1.5
124.03937	1.1
124.07578	0.5
125.03454	2.3
127.05025	2.8
128.03429	46.9
129.01860	0.6
129.03789	1.2
129.99597	0.9
131.04512	1.3
135.04555	0.9
135.05542	5.5
139.05035	0.6
141.06580	4.1
143.04526	62.5
144.04919	1.1
145.06081	2.3
146.04512	6.9
152.98526	0.8
153.06628	4.7
155.08160	0.9
160.00652	18.5
166.09764	3.0
167.04538	4.7
167.08182	2.2
170.03230	1.3
171.04015	0.8
171.07713	1.2
171.10260	0.5
173.04504	0.9
177.03302	7.0
179.04547	12.8
180.05006	0.7
181.06133	1.8
184.10820	0.8
185.05605	2.5
191.05467	2.6
192.07716	1.5
193.06117	0.8
197.05621	2.6
197.11725	0.7
198.08710	1.0
209.11786	1.6
210.08766	13.3
210.11893	0.6
210.87872	0.4
213.03343	0.5
220.07509	0.5
228.09798	0.7
231.04311	0.9
241.00267	1.5
242.07800	1.8
254.07819	19.2
255.08125	1.2
256.99658	1.1
272.08875	33.4
273.09161	2.3
288.06598	11.3
291.19727	0.6
299.00854	0.7
306.07648	100.0
307.07944	5.9
397.08081	0.5
469.23694	0.6
512.18811	0.6
513.19952	2.0
517.11072	0.5
518.11792	4.0
554.19818	0.5
555.20667	0.9
580.26978	0.6
598.20337	0.6
598.28174	7.9
599.19305	1.1
599.28113	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07573	0.9
59.01254	13.7
64.58292	0.7
69.78601	4.6
71.01247	3.2
73.02808	2.3
79.95610	6.9
80.96396	3.6
85.02825	1.5
87.31411	0.8
95.95121	1.3
96.95888	100.0
101.02318	1.9
103.00246	9.7
109.87818	0.7
138.96962	1.5
150.97009	1.0
152.98560	1.2
159.54692	0.8
164.98575	4.4
180.98067	2.5
191.05562	1.8
198.99135	0.7
207.86743	0.7
241.00195	4.1
256.99741	1.4
285.02811	0.8
397.13885	0.9
407.13724	1.0
435.13065	4.8
451.16046	1.5
475.27087	0.9
493.17764	1.7
511.18524	87.5
512.18866	10.3
539.11713	0.9
553.19586	38.2
554.19965	4.5
577.01233	0.8
579.17529	0.8
597.18567	49.9
598.18958	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.387
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02829	0.9
59.01247	2.4
61.98700	4.0
62.82384	0.4
64.00323	0.4
69.03319	1.0
69.20672	0.4
69.23580	2.3
69.24010	1.6
71.01227	1.3
75.00743	0.6
76.76798	0.4
79.95606	1.6
81.03333	12.6
81.75813	0.4
83.04896	36.8
84.05225	1.1
85.02807	1.3
87.00717	0.6
89.02316	0.5
93.03336	2.7
96.95882	14.5
97.02835	0.5
100.07569	5.4
102.01815	0.9
103.00225	1.3
107.04921	0.6
109.02824	1.1
113.02327	0.6
126.05509	0.6
127.03874	1.0
135.04466	0.6
137.02325	1.2
137.06279	0.5
151.00166	0.5
153.01822	0.9
164.98494	0.5
173.04497	0.8
179.03323	0.6
191.05544	6.7
199.13347	1.5
199.18092	6.6
203.01846	0.6
224.17590	0.8
225.16026	8.3
241.00122	0.9
243.17102	20.0
244.17447	1.5
256.99597	1.3
269.15131	1.4
276.75888	0.5
300.02509	0.6
301.03668	0.5
309.21973	1.3
315.05026	1.4
325.14819	0.5
353.20789	6.2
354.21286	0.7
433.31992	0.5
451.32834	2.5
469.33923	13.6
470.34320	2.4
511.18484	5.9
512.18622	1.5
553.19867	3.0
554.20093	0.6
579.37903	2.9
580.37463	0.6
597.19305	4.4
597.38696	100.0
598.19342	0.8
598.39008	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72355	1.0
59.01250	22.0
61.98705	7.8
67.01759	2.6
69.03341	1.7
71.01258	8.9
72.99171	1.1
73.02814	3.7
74.16364	0.8
79.95606	9.2
80.96381	8.1
83.01243	1.7
85.02822	6.0
87.00744	4.6
89.02321	3.1
91.31388	1.1
93.03333	12.7
95.95115	1.8
96.19849	0.8
96.95889	100.0
97.02853	1.0
98.95477	2.1
99.00725	1.0
101.02319	6.3
103.00261	9.9
111.04397	1.9
113.02331	2.8
118.69762	0.8
119.03357	0.9
119.58948	0.9
134.03622	2.2
135.04399	2.1
138.96902	1.0
150.96965	1.4
159.04401	1.2
163.03932	1.1
163.07581	1.0
163.11363	0.8
164.98558	9.4
169.79529	0.9
173.04460	9.1
173.05815	1.3
177.09204	1.0
179.03421	0.9
185.00790	1.0
187.07547	2.2
189.05568	1.0
189.09061	1.0
191.05519	13.2
192.91364	0.8
195.13849	1.7
201.05273	1.0
202.06340	1.0
204.07867	1.7
209.11748	1.6
215.07039	1.9
225.00627	1.4
231.10197	1.0
241.00220	2.9
249.18529	3.9
267.19711	3.2
275.09064	1.1
359.22296	2.1
394.13025	1.0
411.23901	1.9
429.24796	12.9
430.25266	1.8
471.25873	4.7
480.16492	2.0
491.19662	1.3
498.17703	1.3
509.20535	21.3
510.21286	4.1
551.21655	69.9
552.22052	11.7
577.23120	5.4
595.20398	21.2
595.30255	3.1
596.21167	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.4
61.98703	3.5
71.53300	0.9
78.95776	75.6
96.96841	14.2
121.02860	0.9
133.41531	0.9
147.21420	0.9
150.97876	1.3
152.99489	59.8
153.99858	1.4
171.10170	0.8
181.12318	0.8
223.00119	2.4
241.01144	32.1
242.01318	1.0
279.23279	61.0
280.23694	7.0
315.04868	9.7
415.22644	6.9
433.23468	1.4
595.28900	100.0
596.29291	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2887
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.75366	0.5
53.41391	0.5
57.55605	0.5
59.01263	0.9
63.23410	0.5
65.78512	0.4
68.33755	0.5
71.02891	0.9
78.95773	66.6
79.89482	0.5
80.20179	0.5
87.70592	0.5
94.71537	0.5
96.61378	0.6
96.95874	0.6
96.96837	13.3
97.78613	0.5
150.97961	1.3
152.99484	100.0
153.99826	1.3
171.00539	2.3
223.00067	10.4
231.35622	0.5
241.01144	27.1
242.01599	1.0
259.02222	2.2
261.22153	0.7
279.23282	64.7
280.23621	7.6
315.04846	16.0
316.05289	0.8
333.05963	1.3
395.87695	0.5
413.75305	0.5
595.28864	85.3
596.29181	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1307
Annotation	Peltatoside
Peak:m/z	Relative Intensity
52.98205	0.6
59.01262	1.4
65.00181	1.0
70.65374	1.3
71.01254	0.8
87.71822	0.7
93.03356	0.8
96.95876	3.1
107.01273	1.6
108.02051	1.1
121.02856	1.4
148.01605	1.6
151.00307	5.0
178.99817	2.7
191.05589	2.3
215.03357	0.7
216.22403	0.7
226.02602	1.3
227.03452	1.9
243.02963	9.6
244.03458	1.7
254.02191	1.5
255.02980	24.6
256.03287	2.0
271.02484	54.4
272.02893	4.8
273.04013	1.0
284.48911	0.7
299.02087	3.2
300.02740	100.0
301.03326	17.6
343.38873	0.8
433.00473	0.6
475.08823	0.8
509.16177	0.8
515.38629	0.7
595.13019	56.8
596.13373	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1669
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
52.31881	1.2
55.20672	1.2
66.01186	1.2
68.99662	2.1
70.27486	5.0
71.01254	1.6
79.01770	1.5
81.03330	1.5
83.01268	4.7
93.03337	7.7
93.33732	1.4
95.01257	2.3
95.04953	1.7
97.02838	4.4
105.03361	1.6
107.01299	6.7
107.04860	1.9
109.02811	3.4
111.04411	2.0
117.03394	1.6
119.04920	44.1
120.05283	1.5
121.02849	5.2
123.00679	1.2
123.04389	2.9
125.02335	10.6
135.04411	5.1
137.02306	4.4
139.03888	6.0
143.04958	7.0
145.02885	9.3
147.04404	2.4
149.02335	4.2
150.03104	1.4
151.00261	5.7
151.03896	3.0
155.03368	1.6
161.02365	2.1
161.05989	1.8
163.00264	3.8
163.03931	4.6
165.01843	5.9
165.05501	2.1
167.03433	12.7
175.03879	1.8
177.01842	6.3
179.03435	4.4
185.05994	2.5
187.03940	8.2
191.03441	5.2
191.05536	2.6
193.01378	10.5
197.04486	4.7
197.06126	2.4
199.07541	2.5
203.03342	2.0
205.01384	9.0
207.02928	4.3
209.04485	4.4
219.02902	3.3
221.04503	1.3
223.02234	2.8
227.07185	2.6
229.05087	1.6
233.04596	1.8
235.02423	16.0
239.05479	2.5
243.06618	1.9
247.02431	1.9
247.94646	1.4
249.03989	2.8
261.04178	1.5
265.03558	5.1
271.06049	4.6
283.06235	1.9
298.08316	1.9
313.07166	19.3
314.07669	1.8
325.07080	6.8
339.08868	2.4
343.08136	7.3
355.08237	100.0
356.08548	11.4
367.08185	5.9
385.09271	76.7
386.09558	10.6
389.67569	1.6
397.09207	5.0
415.10297	22.6
416.10620	2.3
427.10461	2.6
439.66574	1.4
457.11469	10.0
475.12421	42.0
476.12662	4.6
487.12259	7.5
505.13412	12.4
577.15576	6.5
595.16675	90.7
596.16766	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03525	1.6
55.01745	2.0
57.03313	2.6
59.01254	100.0
61.98700	4.0
66.10612	1.6
67.47634	1.6
69.03329	45.3
69.28736	14.6
70.03665	1.8
71.01258	19.8
72.99197	5.2
73.02802	3.5
78.95777	14.2
79.95634	1.5
83.01265	3.1
85.02823	16.9
87.00761	4.0
89.02329	3.9
93.03342	13.0
95.01254	4.9
96.95898	12.1
97.02843	12.9
99.00764	16.2
101.02322	9.1
110.32489	1.6
111.04409	2.2
113.02323	11.4
120.99560	2.1
125.02324	2.1
133.02824	3.9
134.03622	2.1
135.04410	4.7
141.01842	7.4
143.06918	1.6
152.99484	3.0
161.02322	4.2
161.04503	3.8
173.04498	10.6
177.01819	2.1
178.02766	1.7
179.03403	3.6
185.00841	29.6
191.05547	27.2
192.05840	2.7
202.06340	2.0
203.01904	6.5
209.11795	2.6
215.06834	1.8
241.00229	3.0
246.05280	1.7
275.09140	1.5
299.26089	2.4
332.91296	1.9
345.30078	3.8
373.09702	1.7
407.16919	1.8
453.32639	1.7
489.34329	52.8
490.34662	9.7
507.19434	3.1
507.35428	23.7
508.36194	2.5
549.36023	4.4
575.17072	1.9
594.30347	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29862	1.0
53.34389	1.2
57.03316	1.7
57.34744	0.9
59.01251	29.7
61.98703	45.3
69.03320	1.9
71.01263	1.9
71.20529	2.7
78.95775	29.2
80.96391	1.9
87.00731	2.1
93.03330	5.7
96.95908	5.5
98.20509	1.1
108.51388	1.2
113.09599	3.2
150.98460	1.0
152.99483	7.1
168.04207	5.7
171.10146	1.9
173.04466	1.3
177.01886	1.3
191.05519	4.1
195.13847	18.9
196.14137	1.5
224.06906	9.9
242.07971	3.1
264.09399	1.2
277.21713	21.7
293.21228	2.6
294.21603	1.6
295.22769	83.7
296.23126	7.9
390.57104	1.2
449.22955	3.1
520.30420	100.0
521.30750	14.6
577.23376	2.5
594.26947	1.9
595.26776	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35147	0.6
59.01245	1.3
61.98709	0.9
69.64665	0.6
71.08419	1.5
74.20872	0.7
78.95775	66.4
84.10625	0.7
96.96841	10.9
102.14000	0.8
104.18993	0.6
121.02856	1.8
142.10838	0.6
150.97968	1.4
152.99489	100.0
153.99838	1.4
171.00575	1.8
185.00821	0.6
191.05540	0.8
199.91061	0.6
200.52930	0.7
209.04420	1.0
223.00061	10.2
235.48517	0.6
241.01147	23.6
259.02197	1.6
277.21698	43.2
278.21988	4.8
280.12183	0.6
315.04849	16.2
316.05286	0.9
333.05789	0.9
541.42639	0.8
593.27301	85.5
594.27704	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.2
61.12785	0.4
61.98736	0.4
62.96274	0.4
65.17334	0.4
71.08160	0.4
71.52515	0.4
71.52861	0.4
78.95776	69.8
96.96844	12.1
104.98100	0.4
139.33275	0.4
150.97929	1.5
152.99495	100.0
153.99837	1.7
171.00520	2.3
217.46384	0.5
223.00079	9.4
224.00481	0.5
226.43433	0.4
235.33757	0.4
241.01163	24.0
242.01775	0.8
259.02271	1.7
277.21722	43.7
278.22079	4.7
315.04868	16.0
316.05353	0.8
333.05969	1.2
395.47971	0.5
593.27307	75.1
594.27625	12.5
617.93536	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.6
61.98703	8.0
63.96102	1.1
69.03316	1.4
69.88908	1.0
69.89317	1.9
71.01252	5.9
71.04877	0.4
71.11107	0.4
71.67503	0.4
73.02818	1.5
75.08150	0.4
78.95758	0.8
78.98454	4.3
79.95606	35.5
80.96389	56.2
81.03317	1.1
85.02840	2.5
87.00769	2.7
94.97961	10.8
96.95906	3.8
97.02825	1.4
98.20583	0.5
99.00747	0.6
101.02335	2.3
106.97959	1.9
118.69053	0.5
122.97517	2.8
125.02322	2.7
127.03896	0.7
133.25131	0.4
134.97488	3.0
136.99026	1.5
148.99037	5.7
152.98517	4.5
161.04465	1.7
164.98550	10.0
171.18013	0.5
191.05528	1.7
206.99634	2.6
225.00697	12.6
241.00121	2.5
244.50594	0.4
251.76228	0.4
299.04507	2.9
315.03989	0.8
341.05399	0.9
359.01251	0.4
371.06482	3.8
385.08102	1.6
399.09622	1.6
413.11301	1.2
427.12857	1.1
441.14157	0.6
455.15927	1.7
495.19089	1.4
524.19299	0.5
593.26337	100.0
594.26617	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2638
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01255	2.0
61.98695	0.5
62.60281	0.3
63.96111	0.9
69.03323	0.8
70.55630	1.1
71.01254	5.9
73.02822	2.0
78.95794	0.5
78.98463	4.7
79.95124	0.6
79.95607	33.6
80.96389	53.7
81.03315	0.5
85.02809	2.4
87.00761	2.4
89.77767	0.4
94.97961	13.2
95.01254	0.5
96.95910	2.1
97.02812	1.4
99.00752	0.7
100.55344	0.3
101.02338	1.6
104.03553	0.3
106.97984	2.7
113.02324	0.4
122.97468	3.1
125.02365	2.4
127.03919	0.5
134.97461	3.6
136.99028	1.0
138.36964	0.4
148.99036	5.0
152.98541	4.3
161.04430	1.2
164.98550	10.1
167.00124	0.5
173.27132	0.4
176.98393	0.4
188.98535	0.4
195.13753	1.7
206.99634	3.0
225.00694	14.9
226.01010	0.7
241.00172	2.5
251.05736	0.3
275.44189	0.3
277.21671	0.9
295.22809	4.8
299.04395	2.6
315.03799	0.7
339.06198	0.3
371.06476	2.9
385.07950	1.1
399.09531	1.9
399.56290	0.3
400.09845	0.4
413.11395	1.7
423.37363	0.3
441.14297	0.8
455.16068	2.7
468.30530	0.3
481.17670	0.4
495.18738	1.8
520.30304	2.9
523.18652	1.0
524.19354	0.5
531.79956	0.4
593.26349	100.0
594.26678	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	20.7
61.98700	3.1
69.03324	6.8
70.03657	0.7
71.01260	8.4
71.53500	0.9
72.99177	1.7
73.02820	4.5
75.00742	1.4
78.27032	0.6
79.95608	19.9
80.07310	0.7
80.96393	5.3
83.01265	2.1
85.02812	4.1
87.00753	3.2
89.02324	4.0
93.03356	4.6
95.95105	9.0
96.24045	0.7
96.95889	100.0
97.02841	2.4
99.00750	1.7
101.02341	6.0
103.00252	10.7
111.04392	0.7
113.02319	2.6
119.03401	1.4
125.02319	1.0
134.97458	1.7
135.04366	1.0
138.97003	0.8
141.01808	0.9
152.98560	1.6
159.02988	0.8
164.98557	5.6
173.04494	5.4
173.05746	1.0
176.98610	1.2
185.00803	3.8
191.05501	6.1
194.99559	1.2
225.00572	4.1
233.15419	1.2
238.98679	3.5
241.00232	2.0
247.17043	4.4
256.99774	4.1
259.04507	0.9
265.18164	1.2
267.01822	2.4
283.01382	0.9
299.00772	2.9
410.50714	0.8
415.10538	0.7
427.23438	2.4
444.85837	0.8
469.24243	5.4
489.18011	1.5
507.19025	19.9
508.19711	3.3
549.20087	71.3
550.20496	12.2
575.17310	1.6
593.19275	20.2
593.29004	3.5
594.19342	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77642	0.9
58.60599	0.8
59.01257	6.0
59.22300	1.1
69.03314	3.0
69.36492	3.1
69.36916	4.8
71.01231	2.2
72.99175	1.4
73.02799	1.5
78.44651	0.8
78.95773	3.5
79.95615	1.3
81.46822	0.9
83.29512	0.9
85.02817	2.7
87.00771	1.3
89.02264	1.2
93.03329	1.9
95.01329	0.8
96.95276	1.5
96.95889	22.0
96.96840	4.0
97.02805	1.3
99.00772	1.4
101.02360	1.3
103.00240	1.4
106.11646	0.9
107.01263	1.2
109.02832	1.4
113.02360	1.3
117.66917	0.8
131.72131	0.8
133.02840	20.9
134.03600	1.6
137.59183	0.8
141.01759	1.4
147.04420	0.9
149.02370	2.0
151.00243	3.5
161.02376	5.3
163.00305	8.7
173.02200	1.1
175.00223	2.4
175.03859	2.8
177.01816	2.7
185.00804	2.2
189.01889	1.2
191.03514	1.0
191.05501	6.4
192.05743	0.9
197.05960	1.3
199.03886	2.4
201.01852	4.2
201.11201	2.0
202.02438	1.0
202.99829	2.6
203.01831	1.4
210.03316	1.1
211.03868	1.1
213.05571	1.0
220.70947	0.9
225.05550	3.6
227.03452	2.5
229.05054	1.7
240.38153	0.9
241.05042	2.7
251.03357	1.2
253.05032	3.0
255.02948	3.9
269.04544	3.7
270.05350	1.3
284.03207	7.4
285.04047	37.1
286.04556	4.1
293.04602	1.1
297.04059	52.6
298.04810	53.1
299.05377	10.2
300.05817	1.1
309.04025	19.4
310.04428	3.0
311.02246	1.3
311.05588	27.3
312.05997	2.1
313.03555	35.9
314.03928	2.4
321.03970	2.1
323.05453	1.2
324.02841	1.2
325.03549	14.0
326.04062	3.2
327.05069	13.2
328.05396	1.0
330.03781	3.2
337.03522	33.5
337.07532	1.6
338.03928	4.1
339.04916	6.4
349.03333	1.5
351.05179	1.9
353.03336	1.4
355.04330	1.7
357.06110	2.6
367.04367	2.1
367.08389	1.6
369.06305	1.3
385.05875	1.6
393.06085	4.6
411.07224	100.0
412.07584	12.5
413.09244	1.2
428.07169	1.4
429.08023	3.5
431.09311	1.7
473.10989	15.6
474.11099	1.2
507.14984	3.0
507.19818	1.4
549.16754	2.0
575.04962	1.5
575.14020	31.1
576.14240	4.6
593.15076	53.8
594.15228	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1511
Annotation	Datiscin
Peak:m/z	Relative Intensity
64.18034	0.5
69.03314	0.7
69.44302	3.8
77.45901	0.4
93.03364	0.9
96.95873	0.6
98.19850	0.9
103.37659	0.6
107.01273	1.7
113.84441	0.5
125.27167	0.5
126.96809	0.6
132.02141	0.8
135.00760	0.6
143.04877	0.5
151.00285	3.1
159.04456	0.5
163.00290	1.1
178.64368	0.6
179.03453	0.9
189.05450	0.6
191.05504	1.7
194.05762	1.2
209.08083	2.4
211.03946	1.5
213.05568	0.8
227.03438	27.9
228.03793	2.9
229.05003	3.9
239.03522	0.6
255.02956	55.4
256.03445	6.2
257.04520	3.1
273.02173	0.5
283.02438	0.7
284.03247	80.7
285.03964	32.7
286.04388	2.2
327.05109	1.4
371.13351	1.1
411.03079	0.6
475.68799	0.5
516.23267	0.5
593.15082	100.0
594.15466	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.0
59.01245	8.6
59.20461	0.9
69.03330	3.0
71.01264	3.9
72.99168	1.8
73.02815	1.5
75.00763	1.3
83.01247	1.1
85.02808	2.9
86.10960	1.1
87.82909	0.9
89.02322	1.5
93.03361	1.4
95.01293	1.5
96.95883	9.5
97.02827	1.9
101.02347	1.2
103.00230	1.3
103.54266	1.0
109.02840	2.7
121.02829	1.3
132.02107	1.5
133.02841	24.8
134.03593	2.6
135.00757	1.8
149.02292	2.0
151.00256	2.6
151.03865	1.1
153.64574	1.2
160.01910	1.0
161.02351	4.6
163.00250	8.6
165.01886	1.3
171.04330	1.0
173.02380	1.6
175.00307	3.9
175.03932	4.3
177.01845	3.8
178.99789	2.2
185.00819	1.3
187.03999	1.8
191.05545	3.7
198.03140	1.0
199.03944	4.1
201.01874	4.7
202.99873	2.6
211.03877	2.2
213.05589	1.1
225.05449	2.3
227.03453	1.8
229.66258	1.1
237.05469	2.3
241.05069	3.3
243.02962	2.0
251.03445	1.7
253.05069	4.9
255.02895	3.8
265.05145	1.2
267.03159	2.2
267.06433	1.0
269.04480	6.9
270.05115	1.8
281.04449	2.6
284.03403	5.2
285.04034	47.1
286.04398	4.5
294.05243	1.2
297.04022	64.6
298.04782	79.4
299.05399	13.0
309.04034	42.0
310.04510	6.5
311.02008	3.9
311.05563	39.4
311.09219	2.1
312.05890	5.6
313.03531	44.9
314.03906	4.8
315.05060	1.9
321.04114	2.7
322.04797	2.2
323.05469	1.8
324.02731	2.5
325.03467	20.8
326.04089	4.8
327.05081	23.6
328.05325	1.9
330.03799	4.4
337.03494	36.4
337.07520	2.0
338.04190	3.5
339.04990	9.1
351.04871	2.0
353.02844	2.0
355.04669	1.8
357.06259	2.1
367.04459	4.2
369.06168	2.5
385.05704	2.2
393.06067	3.2
395.08063	2.0
411.07178	61.4
412.07675	7.4
413.08777	7.2
429.08194	4.1
431.09756	2.4
450.26660	1.3
473.10928	24.1
474.11035	3.1
507.14883	2.7
549.16431	1.6
575.14032	100.0
576.14441	19.0
593.15118	32.0
593.24066	1.4
594.15411	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76114	1.7
59.01252	100.0
61.98682	2.4
63.63382	1.4
69.03326	14.1
70.63121	4.9
70.63503	2.7
71.01251	20.4
72.99163	2.7
73.02820	4.5
79.95599	2.2
81.82374	1.6
83.01270	2.6
85.02827	13.1
87.00739	3.4
89.02341	3.8
93.03355	3.5
95.01278	3.0
96.95884	10.7
97.02819	6.5
99.00758	5.9
101.02322	10.1
113.02321	9.1
135.04387	3.0
143.51259	1.6
151.00296	2.6
161.04465	7.6
173.04433	2.2
185.00877	6.9
191.05490	8.7
203.01917	2.0
315.18240	2.1
423.71423	1.7
487.32721	43.4
488.33038	7.1
505.17932	2.2
505.33777	18.9
506.34537	2.8
547.34595	3.3
591.17914	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96426	0.4
59.01249	1.2
61.98701	100.0
67.33031	0.3
69.02670	0.3
69.03339	1.6
71.01260	1.7
71.53998	0.3
71.54425	0.6
73.02831	0.5
78.95759	0.4
78.98476	0.5
79.95605	1.9
80.96391	8.2
85.02848	0.7
87.00759	0.6
93.03368	0.6
94.97952	2.4
96.95901	1.2
97.02850	0.6
99.00739	0.6
104.95354	0.3
106.97986	0.6
107.75517	0.3
121.02832	1.0
135.04448	0.6
135.76323	0.4
148.99049	0.9
152.98546	0.8
164.63889	0.4
164.98624	1.4
165.01849	0.6
172.49620	0.4
180.75925	0.4
191.05550	0.9
195.43839	0.4
206.99701	0.6
225.00650	1.7
269.21466	0.5
339.00732	0.4
360.82645	0.4
395.28238	0.8
502.59113	0.4
535.07141	0.4
592.24695	2.8
593.26331	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.8
59.01252	24.6
61.98702	13.3
69.03315	6.5
71.01244	3.3
71.07121	1.4
71.53448	1.8
73.32826	1.3
78.95776	12.6
79.95641	3.0
80.96378	11.5
85.02788	1.5
93.03307	2.4
94.97940	2.2
96.95881	5.7
97.02812	2.6
99.00745	1.5
103.10941	1.3
105.62164	1.6
113.09605	16.3
113.62134	1.3
125.02260	1.5
152.99464	3.5
165.01808	1.6
167.10683	2.5
177.12726	2.7
179.10674	2.1
185.00903	1.6
191.05484	5.0
195.13824	3.2
199.08160	1.4
204.95409	1.4
205.34773	1.4
237.19385	1.4
242.07855	4.1
249.22279	2.1
293.21216	100.0
294.21460	13.1
307.22852	16.7
308.22839	1.9
377.12790	1.7
518.28827	40.2
519.29071	6.0
532.30084	9.2
592.25171	17.3
593.25964	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.6
61.98732	0.3
68.60171	0.3
69.03329	2.0
69.22418	0.8
69.22824	2.3
71.01259	0.6
72.99207	0.3
82.91676	0.3
85.02794	0.5
89.03876	0.3
90.08388	0.3
93.03351	0.5
94.38849	0.3
96.95893	1.6
97.02847	0.8
102.23295	0.3
109.02827	0.4
110.97273	0.3
113.02393	0.3
133.02888	0.9
134.61996	0.3
135.04454	0.4
136.01584	0.7
137.02330	0.3
141.01831	0.5
147.04453	0.5
151.00218	0.6
151.03917	0.9
161.02385	0.4
162.07469	0.4
163.00262	0.3
166.02620	0.7
175.00291	0.5
177.01852	1.7
181.04982	0.7
185.00839	1.0
191.05521	0.7
203.01868	0.6
219.04144	0.3
237.05611	0.3
237.90575	0.3
240.06688	0.3
253.04892	0.4
255.02936	0.9
265.05060	0.4
268.03885	0.4
269.04507	3.1
280.03760	3.5
281.04559	10.1
282.05008	1.6
283.02859	0.6
283.06116	2.4
284.03220	0.8
284.06406	0.5
285.03827	0.3
290.56726	0.3
293.04556	2.3
294.05203	0.8
295.06052	2.8
296.03265	2.6
297.04071	4.4
298.04626	1.8
299.05490	0.8
306.05142	0.6
307.06021	0.5
308.03256	25.1
309.03979	14.2
310.04758	5.7
311.05594	10.1
311.09189	0.5
312.02768	0.6
312.06357	6.9
313.06647	0.6
321.04086	2.0
321.07486	0.5
322.04794	1.8
323.05591	41.9
324.06247	13.6
325.03592	0.4
325.07114	8.8
326.04260	0.8
326.07861	3.9
327.04880	0.4
335.05820	0.4
336.06458	0.9
337.07147	1.4
338.04163	1.2
338.07953	1.3
339.04807	0.6
339.08560	0.8
340.05734	0.5
341.06699	0.4
344.05261	0.7
349.07022	1.5
351.05157	0.5
352.05771	1.0
353.06543	1.6
354.07065	0.4
355.08154	1.0
366.07471	1.3
367.08206	4.9
368.08444	0.5
370.06918	0.3
377.06570	0.5
384.08344	0.3
385.09332	0.9
387.14386	0.9
391.08197	0.5
392.09103	0.7
411.10873	0.9
429.12158	2.0
451.16373	0.5
473.10971	0.7
487.12473	13.9
488.12888	1.9
517.13489	0.9
529.13507	10.4
530.13654	1.4
547.14404	2.3
559.14929	0.4
573.15845	0.8
591.17163	100.0
592.17505	15.8
592.24640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43003	0.4
55.74836	0.4
59.01238	1.7
67.01746	0.5
69.03327	3.2
69.90527	0.9
69.90944	1.2
71.01251	0.8
72.99151	0.6
80.73157	0.4
84.68602	0.4
85.02826	1.1
87.00728	0.7
89.02336	0.5
93.03336	0.8
96.95892	3.9
97.02831	1.4
98.19874	0.8
99.00769	0.9
101.33242	0.4
108.38731	0.4
115.95715	0.5
117.03387	0.6
132.02083	0.9
133.02802	0.5
136.01555	1.7
141.01811	1.4
147.04384	0.5
151.00269	1.3
151.03938	2.0
161.02412	0.4
166.02586	1.5
170.57338	0.5
175.00266	0.4
175.03870	0.6
177.01845	2.0
178.99754	1.1
181.05003	1.5
185.00804	1.8
191.05530	2.6
203.01891	1.6
217.04977	0.5
237.05353	0.7
240.04170	0.5
255.02818	1.1
265.05124	0.8
268.03751	0.9
269.04504	2.6
270.04712	0.5
280.03793	3.3
281.04565	9.2
282.05081	1.6
283.02600	1.0
283.06097	3.9
284.03223	0.8
293.04468	2.7
294.05234	0.6
295.06082	3.3
296.03436	2.3
297.04016	3.7
298.04630	1.9
299.05530	1.3
306.05203	0.6
308.03265	24.6
309.03986	14.9
310.04758	7.9
311.02301	0.4
311.05536	9.8
311.58362	0.4
312.06299	7.8
313.06879	1.0
321.04001	1.6
322.04532	2.0
323.05594	46.0
324.06262	15.6
325.07120	10.8
326.04147	0.8
326.07779	5.8
336.06195	1.2
337.07147	1.9
338.04352	1.0
338.07971	1.9
339.05069	0.5
339.08691	0.8
344.05206	0.8
349.07190	1.9
350.04248	0.7
351.04883	0.6
352.05914	1.3
353.06543	1.3
355.08493	1.0
365.06586	0.5
366.07367	1.3
367.08154	6.6
368.08685	0.5
377.06522	0.7
385.09128	1.1
387.14468	3.8
411.11121	0.8
429.12360	2.4
451.16394	1.3
473.10760	0.5
487.12448	16.9
488.12857	2.0
517.13690	1.1
529.05768	0.8
529.13550	12.7
530.13806	2.0
531.62500	0.5
536.53070	0.4
547.14612	1.3
559.14624	0.5
573.15259	0.7
591.17181	100.0
592.17535	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.3
60.04822	0.6
69.03333	4.4
69.19670	1.1
69.20067	5.8
71.01243	2.3
72.04420	3.2
72.99161	1.5
79.95612	16.8
80.96381	4.9
83.95708	0.5
85.02824	2.3
87.00741	1.1
95.95113	4.1
96.95891	100.0
97.02834	1.7
97.95818	0.7
98.02375	0.7
98.20561	1.2
99.00733	1.1
101.02322	2.2
103.00262	1.4
108.88861	0.7
110.97469	3.4
122.97432	0.6
135.04373	0.9
138.96991	0.9
141.01804	1.2
150.96991	2.0
151.00299	1.3
152.98532	2.4
163.02687	0.7
164.98529	7.4
171.10205	1.0
178.99774	1.2
180.98036	2.7
185.00885	1.2
191.05573	2.5
198.98865	0.7
203.01945	1.7
225.00661	0.7
241.00212	7.3
256.99713	2.2
297.03955	1.0
298.04767	0.8
309.04016	1.1
310.04819	1.2
311.05835	0.8
325.06787	1.1
368.76947	0.7
428.06683	0.8
429.11819	2.7
431.13837	3.9
449.14850	89.7
450.15164	11.2
491.16068	2.4
492.16476	0.8
504.15552	1.7
517.13879	23.7
518.14172	4.3
530.17169	4.7
531.16949	1.0
535.14948	3.7
546.16547	1.5
548.18445	0.9
573.12317	0.9
588.49579	0.7
590.19202	34.7
591.19513	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91372	0.6
55.01751	0.7
59.01250	7.2
69.03326	11.8
69.24458	7.1
70.03642	0.9
71.01247	3.6
72.04412	3.5
72.99191	1.3
79.95609	10.2
80.96402	5.3
85.02818	2.4
87.00715	1.5
89.02321	1.5
93.03338	1.8
95.95104	2.3
96.95889	100.0
97.02837	5.0
98.19746	1.3
99.00771	3.8
101.02312	1.7
103.00227	1.8
110.97446	2.3
113.02314	1.2
133.02869	0.9
135.04390	0.9
138.97035	1.6
141.01785	1.8
143.07034	1.5
144.07388	0.6
150.96986	1.3
151.39452	0.6
152.98529	1.2
161.02182	0.6
164.98546	5.6
171.10204	5.6
172.10527	2.1
173.04448	1.5
180.98077	3.1
181.08650	3.1
182.08904	1.4
185.00839	7.5
186.01161	1.2
191.05553	4.1
203.01846	3.4
204.02280	1.3
209.11760	1.9
210.12173	1.6
241.00179	7.3
256.99850	1.0
284.03162	0.8
299.05396	0.8
300.05875	1.0
309.03662	0.8
310.04385	1.0
323.05521	1.2
324.05869	2.0
338.03851	0.8
339.04486	0.6
342.06790	0.8
352.05392	1.6
425.08804	0.9
426.09174	4.7
427.09442	1.0
431.13962	4.0
449.14859	93.6
450.15207	10.6
491.16077	2.3
504.15536	1.1
505.17389	0.9
517.13861	26.7
518.14117	3.5
530.17108	3.3
535.14685	4.1
536.15094	0.9
546.16681	0.9
547.18268	0.7
548.18274	1.2
590.19183	44.6
591.19214	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70413	0.9
56.56973	0.9
56.74683	1.1
58.00469	2.7
59.01250	45.5
69.03319	7.0
69.23391	2.9
69.23800	7.6
71.01253	10.3
72.99186	2.7
73.02812	4.2
77.69875	0.9
79.95600	7.5
80.96440	1.2
85.02833	7.1
87.00713	1.1
89.02298	4.9
93.03355	2.0
94.60086	1.2
95.95090	2.2
96.95887	38.6
97.02847	2.3
99.00763	1.9
101.02330	6.1
103.03897	2.0
104.08298	1.0
113.02316	1.3
119.03359	1.6
124.15947	1.0
133.02811	1.9
136.01462	1.2
141.01830	2.1
151.00267	4.9
152.01036	1.3
155.11734	1.2
163.00215	1.5
164.98570	1.3
178.99800	3.8
185.00815	2.9
191.05522	3.1
203.01859	1.7
241.00192	2.1
255.99702	1.1
269.04495	2.7
280.03757	7.5
281.04544	5.4
283.05984	1.5
284.03278	3.1
295.06155	1.4
296.03256	2.1
297.04053	6.7
298.04807	11.4
299.05563	5.7
307.02454	2.3
308.03271	27.7
309.03925	9.9
310.04721	4.3
311.05548	7.6
312.06168	4.9
313.07031	1.5
322.04706	1.9
323.05606	35.9
324.06113	8.2
325.07001	5.1
326.07980	1.5
327.04803	1.9
337.03506	1.5
338.04065	1.6
339.04749	1.6
341.06531	6.7
344.05133	1.6
353.06577	8.7
365.06537	2.1
366.07498	1.4
367.08023	1.6
371.07855	5.6
383.07596	2.4
412.07956	4.1
427.10349	42.6
428.10693	7.1
429.11993	3.0
433.15433	1.9
449.14752	1.5
450.15213	3.0
451.16357	22.4
451.21860	1.8
487.12546	7.5
506.16876	3.7
519.15240	5.8
529.13605	1.7
559.14807	3.8
591.17236	100.0
592.17865	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14328	0.3
57.03361	0.4
58.00476	2.3
59.01250	47.7
60.01590	0.7
62.02546	0.4
64.70950	0.4
68.45477	0.4
69.03332	2.3
71.01254	11.0
71.34296	0.5
72.99175	2.9
73.02812	4.3
74.03215	0.3
78.08469	0.4
81.03336	0.5
83.01278	0.6
85.02823	7.8
87.00762	0.4
89.02316	5.3
92.84649	0.3
96.95898	2.8
97.02809	0.4
99.00764	0.9
101.02326	4.6
103.03898	3.6
119.03440	1.8
121.46795	0.4
127.03916	0.4
127.96036	0.3
128.65762	0.4
132.02028	0.5
133.02902	1.3
142.18549	0.3
143.02330	0.3
175.00293	1.3
185.00868	1.1
191.05492	1.1
203.01930	0.4
251.03523	1.1
253.04840	0.4
269.04523	0.5
279.02832	0.4
280.03735	5.2
281.04202	0.8
284.03256	3.0
285.03903	0.7
296.03186	1.6
297.04034	5.8
298.04797	9.0
299.05551	4.7
307.02515	2.2
308.03256	20.2
309.03934	6.6
310.04742	1.9
311.05569	2.9
312.06296	2.1
313.07062	0.9
319.30188	0.4
322.04987	0.6
323.05591	31.6
324.05988	3.6
325.03424	0.8
325.06937	1.5
337.03394	0.9
338.04132	1.2
339.04929	1.1
341.06668	6.1
342.07086	0.9
344.05463	1.8
350.04044	0.5
351.05017	0.6
352.05475	0.7
353.06631	4.1
354.06934	0.7
365.06461	1.5
371.07718	5.9
372.07950	0.6
383.07629	2.0
412.07892	5.4
413.08615	0.5
426.09207	1.0
427.10291	37.9
428.10654	4.5
445.11246	0.7
487.12363	1.2
525.59570	0.4
591.17157	100.0
592.17474	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06787	0.2
56.44115	0.2
61.98694	0.2
71.24628	0.3
72.99171	1.3
74.85526	0.2
75.00743	100.0
76.01076	1.4
78.95779	0.6
140.34531	0.2
152.99480	0.3
223.79469	0.2
229.96747	0.2
253.09094	0.2
277.21756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	4.9
56.62811	2.0
57.03316	3.9
57.45189	2.0
59.01251	96.2
61.98698	3.0
69.03326	100.0
70.03662	2.2
70.82514	3.8
70.82864	2.2
71.01255	46.7
72.99187	13.9
73.02825	30.1
79.01757	3.2
79.95612	2.8
81.31448	2.3
83.01257	11.1
83.04891	9.7
85.02814	14.3
87.00743	23.1
89.02332	17.5
93.03332	5.7
95.01241	12.5
95.04888	2.9
96.95891	30.7
97.02823	59.3
97.06463	6.6
98.95475	2.0
99.00748	20.2
101.02325	27.5
103.00244	3.6
113.02322	24.0
119.03388	6.8
125.02381	2.6
125.05989	20.4
127.11131	2.9
131.03383	4.7
141.01826	67.1
142.02092	3.6
143.03377	2.7
143.07037	62.1
147.04430	6.0
149.04369	3.9
153.09453	2.1
158.03676	2.9
158.62691	2.0
161.04369	9.9
163.11127	3.5
171.10181	96.1
172.10538	4.0
173.06036	4.9
179.05569	4.9
181.08632	41.7
183.04285	2.3
185.00845	53.4
186.01160	2.8
186.06746	4.6
187.07570	8.4
191.05573	10.6
197.11784	6.7
199.09654	3.8
200.04721	3.0
201.05507	7.4
201.09087	4.8
202.06120	2.6
203.00035	1.6
203.01903	45.2
209.11769	82.3
210.12088	4.7
211.07668	5.4
213.09065	2.1
214.06281	8.0
215.07005	6.8
227.12834	12.6
229.08702	8.1
230.09377	2.6
231.10133	4.7
235.08104	5.4
253.09233	17.1
256.99847	3.4
274.08276	2.4
306.10953	6.3
327.16046	2.8
351.05051	2.9
371.14905	12.2
403.17618	5.1
425.08536	4.9
448.40613	2.5
449.14484	6.8
485.31171	7.1
493.13544	2.3
503.16141	2.5
517.13403	2.8
517.76544	2.5
545.17456	2.9
589.18146	4.8
590.18671	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	3.5
59.00951	2.6
59.01249	51.0
61.98696	2.6
64.23241	1.2
66.98904	1.2
67.01775	1.9
69.03325	100.0
70.03661	2.2
71.01253	12.7
71.54709	3.2
72.99181	5.1
73.02821	3.0
79.01760	2.2
79.95592	3.5
83.01231	2.5
85.02827	8.8
87.00755	7.6
89.02322	1.5
93.03349	1.9
95.01273	6.5
95.95083	1.7
96.95892	24.7
97.02828	34.6
97.06420	2.1
98.95497	1.7
99.00755	26.7
101.02331	5.0
103.00268	2.4
111.00720	1.5
111.04385	1.4
113.02325	8.1
121.02855	1.5
123.00738	2.4
134.03679	2.0
135.04411	9.9
141.01842	25.8
142.02153	1.4
143.07060	4.5
161.02351	1.6
161.04462	2.5
169.12199	1.3
171.10158	11.9
177.01797	2.7
179.03448	2.5
181.08621	3.8
185.00841	62.0
186.01176	2.4
186.06740	2.1
187.07542	3.3
191.05550	8.8
201.05486	2.2
203.01923	17.5
209.11726	4.9
214.06271	3.4
215.07101	4.2
227.12785	1.8
229.08635	4.6
230.09253	1.5
231.10269	1.6
241.00143	1.5
253.09154	2.1
255.10164	2.1
256.99561	1.5
293.48050	1.5
306.11105	2.2
308.08969	1.6
309.14655	1.3
312.12869	1.5
326.23505	1.3
342.99744	2.6
371.14893	3.4
403.17642	3.6
463.21735	1.4
467.30463	1.6
485.31281	13.1
503.31915	8.1
589.18915	5.0
589.29468	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	7.8
68.05442	0.5
69.03329	1.8
69.94839	0.4
70.97504	0.5
71.01261	2.1
72.99194	0.4
73.02808	1.1
75.35336	0.4
79.95603	8.9
80.96391	2.5
83.01275	0.8
85.02830	1.1
87.00753	1.0
95.01154	0.4
95.95097	2.0
96.00769	0.8
96.95888	100.0
97.02842	0.8
97.14391	0.4
98.02362	1.4
98.95473	0.4
99.00757	0.7
101.02338	1.4
103.00244	5.6
109.77428	0.4
110.02320	0.6
112.37409	0.4
138.96960	1.1
141.01880	0.5
150.96971	1.1
151.00404	0.5
152.98520	1.7
164.98547	2.6
179.16824	0.4
180.98001	1.6
185.00803	0.7
191.05545	0.7
194.99602	0.5
203.01851	1.1
204.71033	0.4
210.44000	0.5
224.86560	0.4
225.00717	0.7
241.00215	4.8
256.99704	1.5
280.01297	1.7
300.02625	0.5
305.45377	0.5
315.05011	0.8
343.00018	0.6
463.13052	0.9
465.14276	0.9
486.14371	1.2
504.15430	43.9
505.15585	5.8
506.01913	0.5
511.11893	0.6
518.99927	0.5
546.16461	28.6
547.16632	4.8
572.14014	0.6
590.15509	21.3
591.15552	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.0
57.03335	4.6
58.00463	2.5
59.01254	56.6
69.03327	3.1
69.36168	6.2
71.01250	12.2
72.99181	4.5
73.02818	8.4
79.95627	0.8
83.01262	1.5
85.02824	10.9
89.02313	7.3
96.95904	4.9
97.02850	1.0
99.00762	1.1
101.02328	6.5
103.03902	4.1
113.02335	1.7
117.23197	0.8
119.03387	1.7
132.02109	1.5
133.02849	5.4
146.43938	0.8
163.00250	2.2
171.10172	1.5
175.00284	4.4
177.01837	1.6
185.00784	0.9
202.99796	5.5
203.01633	1.5
211.03880	1.1
213.62643	0.7
224.04756	0.8
237.05450	0.8
240.04160	1.3
251.03473	2.3
252.04247	1.2
253.05055	0.8
255.03119	1.3
256.03741	1.5
265.04999	0.9
266.62027	0.8
267.02936	1.4
268.03683	2.9
269.04510	1.6
279.02960	3.1
280.03802	11.5
281.04248	1.8
284.03281	20.8
285.03619	2.2
293.04495	1.2
294.05432	1.2
296.03278	6.3
297.04013	11.6
298.04779	18.8
299.05569	23.2
300.05988	2.1
306.05396	1.0
307.02435	5.0
308.03253	43.7
309.03992	26.0
309.07547	0.7
310.04660	6.9
311.05527	11.3
312.06448	4.2
313.07104	1.6
320.03409	0.9
321.03900	1.1
322.04837	1.8
323.05591	63.0
324.02640	2.2
324.05997	8.2
325.03531	1.5
325.07156	17.9
326.04144	0.9
326.07538	1.6
335.05643	1.9
336.02747	17.5
336.06631	1.3
337.03476	19.8
337.07391	1.9
338.04050	2.8
339.05014	4.9
340.05377	1.2
341.06662	16.5
342.07004	2.5
344.05325	3.0
348.06143	1.2
349.03214	1.0
350.04272	1.6
351.05084	34.8
352.05719	6.0
353.06598	4.1
364.05780	2.0
365.06421	2.2
369.06244	1.0
371.07779	1.0
379.08157	0.9
381.06076	3.2
381.09824	2.8
384.19931	0.9
397.09164	1.5
407.07755	2.9
425.08768	100.0
426.04028	1.1
426.09204	13.6
449.14758	2.6
487.12393	8.9
488.13034	1.2
488.70944	0.8
589.15594	78.5
590.15845	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1562
Annotation	3'-O-Methylmaysin
Peak:m/z	Relative Intensity
57.03320	5.3
58.00461	1.0
59.01250	22.2
69.03324	1.6
69.47289	4.1
69.47698	2.0
71.01256	5.0
72.99164	1.5
73.02811	3.4
73.30792	0.7
85.02819	4.5
89.02303	2.6
101.02334	1.4
103.03891	1.9
112.80083	0.8
113.02325	1.5
121.32642	0.9
132.02013	1.1
133.02840	4.1
141.01817	0.9
151.00275	1.4
160.23190	0.8
162.62610	0.9
163.00278	2.0
171.10167	1.5
175.03957	1.1
176.01022	0.8
177.01886	1.3
181.08603	1.0
185.00810	1.7
201.01785	1.6
202.99818	6.2
203.01582	1.3
209.11920	1.4
239.03477	1.3
251.03502	2.0
251.16469	4.0
255.03064	1.6
256.03665	1.2
268.03754	2.6
279.02896	1.7
280.03683	3.6
284.03256	17.7
285.03702	2.0
292.03708	1.1
293.04413	1.8
296.03110	6.0
297.04092	4.7
298.04709	3.0
299.05573	19.7
300.05826	1.2
307.02710	0.9
308.03223	11.2
309.04037	21.7
310.04752	8.0
311.05597	10.5
312.06094	1.8
321.03998	2.0
322.04562	1.3
323.05548	13.5
324.02585	1.1
324.05957	1.3
325.03360	1.3
325.07135	19.7
326.07498	1.8
327.05179	1.8
336.02713	13.7
337.03522	21.5
338.03748	2.4
339.05008	2.4
341.06451	2.7
350.04236	1.3
351.05069	37.7
352.05597	9.4
353.06601	2.5
365.06934	1.5
379.08151	1.0
381.05533	1.1
381.10028	4.4
382.10257	1.1
383.07547	1.2
397.08875	0.9
407.07742	2.7
425.08762	100.0
426.09067	11.7
466.36972	0.9
487.12292	2.4
589.15765	14.4
590.15570	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86821	0.4
54.20997	0.4
55.01757	0.8
57.03329	5.1
58.00467	0.7
59.01250	13.3
61.98680	0.8
67.01740	0.5
69.03325	20.8
69.32969	1.9
69.33397	2.5
70.03678	0.5
71.00842	0.6
71.01245	6.8
72.99188	2.2
73.02812	2.6
76.65257	0.4
78.14592	0.5
78.52916	0.5
79.01742	0.6
79.95611	1.0
81.03291	0.4
83.01222	0.6
83.04892	1.0
85.02829	4.3
87.00765	3.8
89.02325	3.0
93.03341	3.9
95.01249	1.9
96.95888	6.5
97.02256	0.7
97.02833	8.5
98.20535	0.8
99.00775	4.6
101.02315	2.1
103.03893	1.4
109.02831	0.7
111.00748	0.6
113.02326	2.0
115.03930	0.6
116.92752	0.7
121.02873	0.5
123.00768	1.3
125.02343	0.5
125.05996	0.7
132.02065	1.1
133.02840	5.7
135.04414	2.5
141.01833	9.5
143.07018	3.5
145.02966	0.5
147.04393	0.7
151.00275	0.6
160.01569	0.9
161.02425	0.9
163.00291	2.0
171.10185	9.0
173.04439	2.0
175.00250	0.5
176.01064	1.1
177.01855	2.2
179.03441	0.9
181.08600	2.5
182.03726	0.6
185.00836	12.4
186.06743	1.1
187.07516	0.7
191.05519	11.2
191.07138	0.8
199.09717	0.6
199.13330	0.5
201.01889	1.5
202.06184	0.5
202.99783	5.3
203.01888	6.6
203.07288	0.5
204.00143	0.6
208.03711	0.6
209.11761	4.5
211.07712	0.5
212.04736	0.8
214.06206	0.6
222.05154	0.8
223.06035	0.5
227.12840	1.3
229.08740	0.8
230.09378	0.6
237.05518	0.5
237.07683	0.6
239.03438	1.2
240.04170	0.9
241.00220	0.9
241.04971	0.5
251.03453	0.9
253.09198	1.2
256.03726	0.8
263.03577	0.8
265.04919	0.7
268.03717	2.5
269.04510	0.7
279.02890	1.7
280.03674	1.1
280.11249	0.5
281.04718	0.8
282.04782	0.4
283.02322	0.7
283.13290	0.6
284.03262	16.9
285.03607	1.3
293.04645	1.3
295.02448	1.0
296.03241	5.8
297.03879	1.6
298.04837	1.1
299.05588	21.2
300.05920	1.8
307.02466	0.6
308.03271	5.2
309.04037	21.3
309.15039	0.5
310.01279	0.4
310.04709	8.2
311.05576	9.0
311.13126	0.5
312.06119	1.5
320.03214	0.9
320.06891	0.7
321.04083	0.8
322.04825	1.2
323.05606	4.7
324.02615	1.0
324.06058	1.1
325.03708	0.9
325.07153	21.6
326.07516	1.9
327.05151	1.0
335.05579	1.3
335.09161	0.7
336.02737	15.2
337.03503	18.6
338.04010	2.7
339.05081	2.4
340.05432	1.4
341.06461	0.8
349.03378	0.6
350.04095	1.5
351.05054	38.3
352.05618	7.0
353.06485	3.0
359.18600	1.4
363.08755	0.6
364.06091	1.1
365.06583	1.6
371.15192	0.5
379.08295	1.2
381.06235	0.7
381.10016	5.4
383.07523	1.6
397.09064	1.7
407.07620	2.6
410.05844	0.6
423.07077	0.9
424.07294	0.9
425.08746	100.0
426.09106	13.1
449.14700	2.7
487.12570	0.7
545.17169	0.8
589.15875	1.9
590.19067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.141
Annotation	Dalmaisione C
Peak:m/z	Relative Intensity
58.00449	1.0
59.01245	16.2
61.98694	2.9
67.01748	0.6
69.03303	2.8
70.82130	1.3
70.82503	1.3
71.01250	5.6
72.99183	1.6
73.02807	2.4
78.95773	0.8
79.95584	1.2
85.02819	3.5
87.00738	2.2
89.02305	2.1
93.03316	2.5
96.95880	8.8
97.02851	1.6
101.02315	4.7
103.03867	1.4
107.01225	0.9
107.19718	0.8
109.02802	1.1
109.06482	0.9
109.80212	0.7
110.03525	0.8
113.02296	0.6
119.03371	0.8
129.01833	0.9
131.01248	1.0
132.02052	1.7
133.02838	3.9
135.04425	1.2
141.01814	1.2
143.06998	1.4
149.02417	0.6
158.18820	0.8
159.04372	0.9
161.02353	1.1
163.00327	0.8
164.98483	1.0
171.10222	6.0
173.04478	1.6
173.05896	0.7
175.00281	3.8
176.98154	1.0
177.01845	0.7
179.03395	0.8
179.07066	1.4
185.00775	0.9
189.98912	1.4
191.05539	6.1
201.01851	1.5
202.99797	2.6
203.01723	1.3
207.10178	0.8
211.03874	0.7
223.03917	0.9
225.11192	2.4
231.02927	1.0
236.04576	0.8
240.04259	1.9
251.03542	3.3
252.04195	1.4
253.09282	0.8
263.03336	1.1
264.04224	1.1
265.05197	0.8
267.02985	1.8
268.03842	3.2
269.04343	1.3
279.02954	2.4
280.03546	3.6
283.02597	1.3
284.03302	7.0
285.03897	1.2
292.03574	0.7
293.04352	0.8
295.02570	1.6
296.03271	5.1
297.03888	2.6
298.04727	2.2
299.05612	6.3
307.02432	6.0
307.06012	1.7
308.03247	22.1
309.03915	8.1
310.01328	1.5
310.04556	1.1
311.05539	5.3
312.06067	1.4
320.03186	1.7
321.04187	1.1
322.04822	1.8
323.02023	3.7
323.05539	32.8
324.02686	14.5
324.06042	3.1
325.03522	5.3
325.07025	1.3
327.05048	1.1
334.04907	1.9
335.05566	6.2
336.02719	4.8
336.06488	4.1
337.03418	10.1
337.06998	1.0
338.04282	5.7
339.05063	29.2
340.05505	3.1
349.07083	1.7
351.04865	4.1
351.08786	1.1
352.02103	3.5
352.05823	1.7
353.06711	2.0
363.04858	1.1
364.05875	5.1
365.06506	1.2
367.04483	10.7
367.08182	0.9
368.04974	0.9
377.06683	2.8
379.04752	0.8
379.08325	8.0
380.05231	2.6
381.06055	3.7
395.07684	11.7
396.08121	1.9
405.06201	2.9
408.04816	7.6
423.07196	100.0
424.07535	15.0
424.13080	0.6
440.07312	0.9
441.08301	12.5
442.08588	2.3
449.14380	0.8
487.12253	0.9
507.09042	1.4
513.10480	2.8
543.21246	2.0
569.13184	1.0
587.13715	10.7
587.22363	1.3
588.14313	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38402	0.5
59.01249	5.0
61.98695	1.4
69.03322	2.8
71.01261	1.8
71.53356	0.6
71.53790	0.8
79.95615	0.9
82.62476	0.7
82.95303	0.7
83.04962	0.9
85.02821	1.7
87.00741	1.5
91.51881	0.6
93.03323	2.3
96.95900	9.1
97.02838	0.8
101.02322	1.5
103.00226	0.7
109.02874	0.7
123.04375	0.7
130.58278	0.6
133.02847	2.1
135.04420	1.5
143.07082	1.7
143.88556	0.6
161.02333	0.7
163.00421	1.0
171.10233	4.2
173.04442	1.2
177.01849	0.8
179.03445	0.8
179.07100	0.9
185.00824	1.0
187.00310	1.1
187.07420	0.7
189.99026	1.7
191.05560	4.1
195.04425	1.5
207.04570	1.1
207.10129	0.8
222.03357	0.9
223.03978	3.7
225.11243	1.6
227.03418	1.0
235.03934	1.4
239.03548	1.0
241.00278	1.1
251.03514	3.0
255.03044	2.8
267.03003	6.7
268.03824	1.4
269.04562	1.0
279.02997	2.5
281.47830	0.6
283.02383	2.5
284.03180	4.1
285.03775	0.8
295.02478	32.9
296.02905	5.9
297.03928	2.5
298.04730	1.9
299.05557	3.0
308.03235	2.5
309.03934	1.7
310.01233	1.9
311.01941	1.4
311.05453	1.2
312.02896	0.9
323.01981	49.7
324.02539	11.0
325.03394	2.6
326.04120	1.1
327.05099	2.2
336.02728	1.9
337.03442	2.2
338.04315	87.6
339.04810	13.7
351.05060	2.1
353.06516	0.9
354.06573	0.8
369.80698	0.7
380.05093	0.8
381.05884	0.8
395.07700	0.7
408.04910	1.4
423.07156	3.3
433.76331	0.7
441.08331	1.9
442.09232	0.8
445.11325	1.0
449.14807	1.0
450.14716	1.2
485.10907	6.9
501.23508	3.3
572.11566	3.2
587.14044	100.0
588.05463	1.2
588.14355	18.3
588.23645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99004	1.4
59.01254	19.0
61.98703	20.6
69.03324	4.3
69.35246	9.1
69.35654	2.8
71.01250	5.1
73.02814	2.7
74.78708	1.3
78.95767	1.7
79.95612	15.8
80.96375	3.4
81.95200	1.6
83.01324	1.5
85.02821	4.2
87.00787	2.2
87.27268	1.5
89.02283	1.9
93.03320	3.9
95.95114	4.9
96.95886	100.0
97.02859	2.3
98.19830	2.2
98.95466	10.0
98.96322	1.9
101.02319	4.2
103.00254	9.6
107.45900	1.5
113.02350	2.7
116.92746	1.9
124.40289	1.3
135.04408	4.1
137.02332	1.7
141.01855	1.8
150.96970	2.6
152.98456	2.4
161.02342	1.7
164.98563	4.5
174.88382	1.4
179.03448	3.4
180.97980	1.6
191.05548	12.1
203.01907	1.9
231.10161	1.7
236.19443	1.6
238.98595	1.8
241.00186	6.2
256.99707	4.7
283.01221	1.5
299.00708	2.9
342.99808	3.0
407.10110	2.5
421.11667	8.3
425.11252	2.8
439.12723	18.1
440.13184	1.5
451.13104	6.6
463.12613	3.1
481.13843	11.1
493.10226	2.4
498.20587	2.0
499.14603	3.7
499.21350	11.1
503.41299	1.6
507.11835	2.2
525.13013	11.9
526.13049	2.0
535.10065	1.8
537.13165	3.2
541.15570	5.0
541.22491	2.5
585.14905	12.3
585.22034	5.4
586.14807	2.3
613.96552	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74395	0.9
59.01254	10.8
61.98697	1.8
63.99648	1.1
68.96244	1.1
69.03335	4.1
71.01273	1.4
71.20042	1.3
71.20400	2.4
79.95606	6.9
80.96375	3.6
85.02819	1.8
87.00744	1.2
93.03360	1.8
96.95888	100.0
97.02869	2.9
101.02318	2.3
103.00250	7.7
121.02827	3.1
135.04407	1.1
141.01828	2.0
155.38658	1.1
164.98529	3.6
180.98126	1.8
191.05530	3.5
241.00215	6.4
248.38309	1.0
283.01404	1.6
402.90991	1.1
499.25854	73.0
500.26089	9.4
541.26898	33.4
542.27106	4.9
567.24994	1.4
585.25903	33.4
586.26367	5.1
609.63354	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90106	0.6
57.27534	0.6
59.01234	1.9
66.55140	0.6
67.16898	0.6
71.01237	0.7
93.03323	0.8
96.95906	3.4
100.46043	0.6
101.02358	0.7
111.04351	1.0
132.02080	0.7
133.02817	2.0
163.00256	0.7
171.10158	0.9
171.76198	0.7
187.00281	1.1
189.99109	1.0
191.05482	1.0
195.04347	0.9
223.03970	2.6
235.03958	2.1
239.03482	1.4
251.03447	3.4
255.02934	2.9
256.03711	0.9
257.33636	0.7
266.01981	0.8
267.02988	5.6
268.03580	2.6
269.04431	1.5
279.02905	1.6
281.04803	0.8
283.02460	2.6
284.03384	4.0
291.32800	0.8
295.02460	31.5
296.03049	4.9
297.03925	2.1
298.04779	2.0
299.05609	3.5
308.03284	2.3
309.04111	1.0
310.01254	1.2
310.04840	0.8
311.02087	1.5
312.02826	0.9
323.01968	49.4
324.02502	10.8
325.03235	2.4
327.04968	1.9
336.02670	1.8
337.03357	1.7
338.04306	77.5
339.04764	11.8
340.01843	0.8
341.06534	0.8
349.07144	0.7
351.05081	2.2
353.06769	1.6
364.06155	0.8
367.04709	0.8
408.04593	1.0
423.07098	4.3
424.07318	0.8
441.08395	1.9
485.10788	7.6
486.11197	1.2
501.23068	0.8
572.11731	2.8
587.14050	100.0
588.14374	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23867	0.3
57.03321	0.8
59.01251	12.6
61.98700	4.1
67.42944	0.3
69.03320	1.0
69.37245	2.5
69.37663	0.8
71.01258	2.8
72.99176	1.2
73.02827	0.6
75.00744	1.0
79.95605	5.6
80.96389	2.1
83.01254	0.4
85.02821	3.7
89.02313	1.3
92.51048	0.3
93.03330	0.4
95.77671	0.3
95.95099	1.5
96.95886	100.0
97.02825	1.6
97.95831	0.4
98.20541	0.8
98.95468	1.4
99.00751	1.3
101.02317	1.3
103.00252	9.5
105.03013	0.3
113.02338	0.8
115.03902	0.6
122.97439	0.5
129.01813	2.3
138.96938	1.3
150.96964	0.7
152.98509	1.5
155.10709	0.7
159.02893	0.6
164.98528	1.2
168.98016	0.9
176.98543	2.9
177.03964	5.3
180.98018	0.5
182.62149	0.4
191.05492	1.0
194.99638	0.9
213.00687	0.5
238.98627	5.7
241.00218	3.3
256.99698	38.0
258.00006	1.6
299.00775	6.2
342.99719	0.4
351.03363	0.4
479.19360	0.5
497.20605	68.7
498.20923	9.0
539.21692	32.3
540.22003	4.2
565.19122	1.8
583.20605	41.2
584.20929	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00953	0.6
59.01249	11.2
59.82661	0.3
61.73589	0.3
71.01261	2.3
71.24908	0.4
71.25259	0.7
73.02816	0.6
79.95610	7.4
80.96375	3.1
85.02833	1.1
86.79640	0.3
87.00755	0.4
89.02333	0.4
95.95118	1.1
96.95889	100.0
97.02871	0.3
99.00787	0.5
100.13580	0.3
101.02350	1.6
103.00247	7.9
103.07616	0.3
103.90603	0.3
107.76555	0.3
113.02316	0.5
122.97446	0.7
138.96941	1.0
150.96983	0.8
152.98564	2.0
164.98555	4.4
180.98056	2.1
223.78413	0.3
225.00789	0.4
241.00211	6.3
256.99689	0.7
334.39835	0.3
349.71555	0.4
430.40277	0.4
479.19348	2.0
497.20615	68.6
498.21002	9.5
539.21649	36.3
540.22003	5.1
544.05237	0.4
565.19733	1.4
583.20630	41.9
584.20905	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	12.4
61.98703	2.7
64.45124	0.4
69.03322	1.6
70.45057	1.4
71.01250	2.6
72.99175	0.8
73.02808	1.2
73.29737	0.4
78.95781	0.6
79.95609	8.4
80.96397	3.2
85.02801	2.1
89.02329	0.9
93.03329	1.4
95.01301	0.4
95.95123	1.4
96.95889	100.0
97.02830	0.8
97.95790	0.4
98.95458	2.4
101.02322	1.8
103.00256	6.5
113.02324	0.5
122.97521	0.6
125.02323	0.5
135.04390	1.4
138.96939	0.6
141.01906	0.5
150.96953	0.8
151.64531	0.4
152.98503	2.2
164.98524	4.4
173.04568	0.5
179.03357	0.4
180.98050	2.1
191.05508	3.4
192.05917	0.5
193.06059	0.6
203.01895	0.5
222.99062	0.5
229.76387	0.5
241.00195	5.7
256.99646	2.0
258.00064	0.4
283.01215	0.6
299.00681	0.7
343.51016	0.4
343.76617	0.4
353.08835	0.4
393.72601	0.4
467.19482	0.5
469.51971	0.4
479.19482	1.1
497.20609	61.8
498.20941	7.3
539.21674	30.8
540.22192	3.8
565.20313	1.8
583.20569	32.6
584.20819	5.9
584.29150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	14.3
61.98702	2.6
69.03322	0.9
70.47769	1.9
71.01264	3.1
73.02822	1.8
75.00724	0.8
78.95774	1.3
79.95609	17.4
80.96404	3.4
83.01249	0.9
85.02824	2.1
87.00764	0.9
89.02320	0.8
93.03334	1.1
95.95093	4.2
96.95889	100.0
97.02833	1.3
98.95461	2.0
101.02330	2.6
103.00246	11.1
105.72328	0.7
112.01638	0.7
113.02353	0.8
133.02843	1.6
135.04396	0.8
138.96974	0.8
141.01857	0.7
150.97003	1.6
152.98480	1.3
156.43007	0.6
161.02368	1.0
164.98550	4.9
171.10245	0.7
173.04443	1.1
177.02029	0.7
180.98061	2.2
191.05542	4.1
197.01216	0.9
238.98557	1.1
241.00198	6.0
256.99698	5.4
259.01315	1.2
268.90302	0.7
283.01251	1.1
285.02716	0.8
299.00745	3.0
327.03760	0.8
342.99792	4.3
395.10129	1.4
409.11813	4.5
419.22873	1.2
421.11658	7.6
422.12424	1.0
439.12762	38.9
440.13205	3.5
449.11081	3.9
451.12802	2.6
463.12958	2.5
464.13474	1.5
481.13895	22.0
482.14258	2.9
491.12439	1.0
495.11731	5.0
499.14218	5.5
500.15356	1.0
506.14618	1.4
507.11853	1.2
523.14856	2.8
525.12823	32.6
526.13434	4.2
535.11035	1.6
536.11615	0.8
541.15112	5.7
550.14063	1.0
567.13910	1.6
568.14832	1.5
572.72955	0.8
583.81842	0.8
585.14673	19.6
586.14777	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
61.89853	0.1
61.98700	100.0
62.98400	0.2
69.27064	0.2
69.27463	0.8
77.87584	0.1
78.95763	0.8
88.51604	0.1
98.20634	0.1
152.99509	0.3
224.06931	0.2
279.23276	1.9
280.23642	1.2
281.23938	0.7
282.24298	0.4
430.03683	0.1
433.23709	0.1
504.30881	1.2
505.31482	0.3
506.31580	0.3
507.31854	1.1
508.32391	0.1
550.56836	0.1
581.33081	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94167	0.3
56.80125	0.4
59.01249	100.0
60.01602	0.9
66.14641	0.4
71.32030	0.4
71.32410	0.4
91.56917	0.5
111.30710	0.4
138.45822	0.5
149.06946	0.4
171.69295	0.4
221.02197	0.4
270.09787	0.4
277.21744	3.7
278.13281	0.4
291.23431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95705	0.5
58.41977	0.5
59.01252	11.5
61.98699	1.5
64.25839	0.5
69.03298	0.6
69.43382	1.7
69.43805	2.0
71.01252	3.0
72.99193	0.6
73.02826	1.0
76.52551	0.5
79.95610	14.7
80.96405	3.3
83.01258	0.9
85.02817	2.7
87.00729	0.8
88.90044	0.5
89.02325	1.0
93.03326	0.8
95.95114	5.5
96.95889	100.0
101.02304	2.9
103.00267	8.4
108.65117	0.5
113.02322	0.9
122.97404	0.6
127.03981	0.6
138.96948	1.6
150.96965	1.4
151.03835	1.3
152.98506	1.3
164.98589	3.1
179.07074	3.5
180.98009	1.7
182.95885	0.5
191.05608	2.7
197.01115	0.8
198.99138	0.8
217.16115	0.5
225.00595	2.1
237.11267	0.7
238.98489	0.9
241.00229	7.2
256.99710	4.9
259.01218	0.9
283.01190	0.8
285.02728	2.0
299.00681	2.1
327.00110	0.9
327.03799	0.9
342.99796	2.9
409.11667	1.3
409.16666	0.6
431.23007	0.5
449.45239	0.5
465.14020	1.4
467.12238	4.2
468.12256	0.8
479.12189	0.7
497.13263	31.5
497.19553	1.4
498.13464	3.8
509.13345	1.4
519.28131	0.5
539.14233	20.6
539.22241	1.0
540.15106	2.5
583.13062	20.0
584.13678	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17522	0.4
57.72089	0.4
59.01252	9.3
69.03331	0.4
71.01261	3.1
72.99179	0.8
73.02822	1.0
75.00748	1.1
79.95609	24.1
80.96391	2.4
83.01288	0.4
85.02831	1.6
86.29398	0.4
87.00736	0.6
89.02347	0.4
91.37296	0.4
95.95099	6.4
96.95889	100.0
98.95468	1.3
101.02320	1.2
103.00249	12.3
113.02340	0.7
134.97528	0.5
138.96997	1.1
139.07611	0.4
150.96965	4.9
151.07579	0.5
151.77769	0.5
152.98543	1.8
160.45215	0.4
164.98557	2.5
176.98643	0.5
180.98033	1.8
182.95863	0.5
197.01152	0.5
225.00716	1.0
232.49184	0.4
238.98666	1.2
241.00224	6.8
256.99722	3.1
283.01300	1.4
285.02838	0.8
299.00946	2.1
327.00113	1.0
327.03775	0.7
342.99835	2.6
357.04962	0.6
358.99170	0.9
359.99445	0.4
383.10236	4.0
384.10599	0.4
409.11862	0.6
413.03793	0.9
425.11218	1.4
435.09576	1.6
437.11240	14.2
438.11407	1.4
438.39886	0.5
463.12872	0.5
469.10217	2.0
477.10693	0.6
479.12216	7.8
480.12415	0.6
497.13254	5.8
497.20389	4.3
498.14029	0.6
498.20767	0.5
521.09235	1.0
523.11279	16.0
524.11792	2.2
536.24103	0.4
539.14288	5.8
539.21533	1.9
540.14777	1.0
565.12396	1.1
583.12958	11.6
583.22394	2.7
584.13495	1.8
594.62793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.3
59.01252	13.8
60.99178	0.6
61.98695	0.8
67.01755	1.6
69.03313	1.3
71.01257	4.9
71.06834	0.5
72.99175	1.0
73.02817	0.9
75.00761	0.8
77.09269	0.5
77.41760	0.4
79.72969	0.4
79.95599	7.2
80.96384	2.2
81.03314	0.5
81.70252	0.4
83.01257	0.5
84.01537	0.4
84.02052	0.5
85.02827	5.3
87.00751	3.0
89.02328	0.9
93.03333	11.2
95.95092	2.5
96.95887	100.0
97.02824	1.6
98.95434	0.6
99.00747	2.0
101.02324	1.4
103.00251	7.8
109.02828	0.6
111.04389	1.9
113.02327	1.0
115.03928	0.5
122.68138	0.4
122.97426	0.5
125.02394	0.5
127.03899	0.6
129.01820	1.6
134.03545	0.6
138.96962	1.2
150.97006	0.7
152.98515	1.8
159.02882	0.6
164.98512	1.7
173.04498	4.8
175.03810	0.5
175.07445	0.6
176.98503	2.1
177.03964	4.6
180.98018	1.2
187.07550	0.5
191.05531	26.8
192.05919	1.5
194.99614	0.6
204.07861	0.4
209.14648	0.4
219.04959	0.5
233.03282	0.4
233.06291	0.5
238.98660	2.9
241.00130	3.1
249.11005	0.5
256.99701	24.2
257.99960	0.6
259.01343	0.8
284.88126	0.4
299.00818	3.4
308.64755	0.4
313.76288	0.4
395.13483	0.7
423.12991	0.6
495.19061	61.6
496.19403	8.2
521.33307	0.9
537.20135	31.4
538.20441	4.0
545.20624	0.6
563.21478	6.4
564.21283	0.9
581.18976	34.6
582.19086	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.6
60.01573	0.1
60.97580	0.1
61.98700	100.0
62.98394	0.1
69.82199	0.4
78.95778	0.4
82.95947	0.2
152.99495	0.5
154.27614	0.1
198.34052	0.1
210.59973	0.1
235.69432	0.1
279.23294	1.9
279.26077	0.1
280.23645	1.5
281.23935	0.9
282.24088	0.7
504.30975	0.5
505.31738	0.2
507.31537	0.6
581.26740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62487	0.5
56.77030	0.4
59.01248	23.2
61.98689	0.8
71.01237	0.8
74.13219	0.4
78.95772	52.1
79.95607	0.6
80.96384	3.7
84.58132	0.4
94.97951	0.9
96.95892	6.5
96.96819	2.3
98.20574	0.9
98.95502	0.5
99.92453	3.6
100.93224	0.5
104.17406	0.5
106.97958	0.6
115.91955	10.7
116.92745	9.7
120.96882	0.6
122.98386	0.8
128.08136	0.5
142.94357	0.6
150.97906	1.5
152.98312	0.9
152.99483	11.6
163.89613	0.6
164.90366	0.8
168.04256	3.3
171.00566	4.1
172.95363	1.8
177.20602	0.5
178.88329	1.8
179.89131	12.5
180.89891	8.6
181.90706	1.5
196.89418	16.3
205.90749	1.3
206.91492	0.9
208.89296	1.0
219.92329	0.8
221.90201	1.0
224.06874	8.8
224.08925	0.8
225.00653	0.7
234.90915	0.8
235.91812	3.5
236.92583	8.8
242.07939	2.1
242.39449	0.4
252.92036	1.6
270.93216	0.8
276.95627	1.4
278.93640	1.4
281.24838	100.0
282.25208	10.4
292.95169	1.3
309.95471	0.9
310.96146	2.4
340.27805	0.6
444.83340	0.5
461.08401	0.5
473.13943	2.0
490.14432	1.9
506.32468	59.4
507.32809	9.2
531.68195	0.5
533.15796	1.6
545.16132	2.6
548.21289	0.6
563.17090	2.5
580.19415	0.8
580.28461	4.6
581.18231	23.4
581.27618	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1823
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
52.64252	0.7
53.12161	0.8
54.87606	0.7
57.62846	0.7
59.01238	1.9
61.93877	0.7
61.98709	1.1
62.96261	1.4
67.42770	0.7
71.01258	1.2
71.25030	1.3
78.95773	100.0
82.06781	0.7
96.95866	3.1
96.96824	5.6
98.95462	1.6
99.92457	11.6
100.35751	0.7
100.93189	0.8
115.91959	33.5
116.92001	1.8
116.92733	29.0
117.92750	1.1
120.96846	0.9
126.46496	0.7
133.17516	0.9
138.97810	0.9
142.94313	1.3
150.97914	3.3
152.99486	27.4
155.95096	1.7
163.89619	1.3
164.90398	1.3
171.00548	11.8
172.95369	5.7
178.88350	4.5
179.89133	36.7
180.89938	28.9
181.90825	3.8
194.87827	2.2
195.00606	0.9
196.89406	53.9
197.89400	3.2
204.89816	0.9
205.90744	4.4
206.91483	2.4
208.89368	1.8
212.88914	1.3
218.91470	1.1
219.92288	1.6
221.90195	3.1
234.90947	1.6
235.91811	9.2
236.92574	25.0
237.92839	2.4
245.04259	1.5
252.92088	3.2
253.21593	1.5
270.93130	2.1
276.95673	2.6
278.93622	4.4
281.24863	6.8
282.25180	4.0
292.95206	2.7
308.94556	1.3
309.95544	2.3
310.96320	6.1
313.60126	0.8
321.83276	0.7
326.95761	1.6
353.13977	0.9
374.06921	0.9
409.16803	1.0
473.14224	4.5
481.25845	1.9
490.14310	5.4
491.14526	0.9
506.32425	2.6
507.32898	2.4
533.16156	3.2
534.16547	1.1
545.15973	5.0
563.17059	4.5
564.17719	1.3
581.18182	51.5
582.18298	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44002	0.2
51.57422	0.2
58.78686	0.2
59.01257	0.5
61.98701	100.0
69.92548	0.4
69.92953	1.1
78.95792	1.0
85.02849	0.3
87.00756	0.4
88.17821	0.2
93.03334	0.7
108.36052	0.3
119.11042	0.3
152.99522	0.3
191.05611	1.4
213.28746	0.3
277.21671	1.6
278.22272	0.4
279.22406	0.3
384.32156	0.3
413.21628	0.3
425.42068	0.3
463.19354	0.4
502.29437	0.7
504.30417	0.3
505.30396	0.5
579.78351	0.3
606.23645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66146	0.1
59.01258	0.3
60.87123	0.1
61.98702	100.0
70.54344	0.1
70.66983	0.2
70.67321	0.2
71.32548	0.1
78.95777	0.4
117.83312	0.1
121.07079	0.1
121.99484	0.1
146.39232	0.1
152.99529	0.3
191.05653	0.2
277.21722	2.1
278.22079	0.9
279.22476	0.4
280.22781	0.3
431.22031	0.1
502.29379	0.7
503.30197	0.2
505.30502	0.4
561.15509	0.1
603.51440	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56498	0.3
59.01250	15.3
61.98708	3.9
63.99109	0.6
66.55399	0.3
69.82404	1.3
71.01248	1.1
78.95319	0.4
78.95776	8.2
78.98463	0.5
79.95605	0.9
80.96390	7.7
82.95962	0.9
85.02808	0.3
87.00747	0.4
94.97955	1.6
96.95876	0.7
106.97964	0.4
115.91969	0.7
116.92750	0.6
122.97441	0.5
134.97498	0.5
148.99002	0.5
152.98509	0.3
152.99525	2.1
164.98538	1.2
165.98840	0.3
168.04169	1.4
171.00523	0.4
179.89148	0.9
180.89873	0.7
196.89421	1.2
206.99690	0.3
224.06915	0.8
225.00673	0.9
226.01108	0.3
236.92601	0.8
242.07950	2.6
281.24844	100.0
282.25168	9.9
407.32654	0.3
457.10522	0.3
506.32489	29.5
507.32751	4.9
580.28778	12.2
580.37671	0.6
581.18219	2.1
581.28619	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54868	0.3
57.03320	0.5
59.01250	12.3
62.99448	0.3
67.01742	0.5
69.03333	0.3
69.56987	1.1
69.57391	0.7
71.01257	2.3
72.99180	0.4
73.02821	1.5
75.00751	0.4
79.95606	8.7
80.96391	2.8
83.01215	0.4
85.02821	2.2
87.00751	1.3
87.75116	0.3
89.02318	0.8
93.03323	3.3
95.01250	0.4
95.22343	0.3
95.95096	1.4
96.16253	0.3
96.95886	100.0
98.20530	0.6
99.00795	0.4
99.63120	0.3
101.02328	1.8
103.00246	8.2
111.04400	0.6
113.02341	0.6
120.95901	0.4
122.97404	0.3
135.04475	0.3
138.96974	0.9
150.96960	1.0
152.98521	1.9
163.03616	0.3
164.98540	4.8
171.26152	0.3
173.04492	1.6
173.05829	0.4
180.98029	2.2
182.21281	0.3
191.05531	10.9
192.05893	1.1
193.05948	0.5
209.87225	0.3
222.99153	0.4
241.00186	4.2
256.99716	1.3
285.03009	0.6
353.09152	0.5
381.08542	0.7
427.58557	0.3
475.16483	1.7
493.17484	76.3
494.17810	9.5
535.18518	39.0
536.18958	5.5
550.92444	0.4
561.18152	1.3
579.17468	37.3
580.17883	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.2
60.99166	0.4
61.98695	0.7
67.01746	0.6
69.03314	1.1
69.22499	4.0
71.01250	3.7
72.99170	0.5
73.02811	0.8
75.00746	0.6
79.95614	7.4
80.96388	3.7
83.01249	0.8
85.02818	3.9
87.00750	2.2
89.02317	0.9
93.03326	5.8
94.03693	0.5
95.95112	0.8
96.95888	100.0
97.02775	0.4
97.96371	0.5
99.00765	0.6
101.02328	2.5
103.00251	9.5
109.02840	0.6
111.04395	0.8
113.02286	0.9
113.89938	0.4
117.28376	0.4
138.96985	1.0
143.03389	0.7
150.96968	0.8
152.98502	1.3
153.01830	0.8
164.98543	3.8
170.56699	0.5
173.04475	2.2
180.98088	2.3
191.05539	15.8
192.05855	1.8
193.05995	0.8
241.00195	4.7
256.99692	1.1
272.06659	0.4
397.08514	0.5
475.16599	1.9
493.17490	77.3
494.17786	9.8
515.83026	0.4
535.18530	38.9
536.19025	5.7
561.18066	1.5
579.17480	43.4
580.17822	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01647	0.4
59.00507	0.4
59.01238	1.7
61.73976	0.4
61.98699	2.9
63.96099	1.1
67.59939	0.4
69.03317	0.8
71.01253	7.7
71.10755	0.9
73.02803	1.4
77.31877	0.4
78.10291	0.4
78.95766	1.2
78.98452	6.3
79.95604	11.1
80.96387	70.6
81.03354	1.0
85.02814	3.9
87.00732	2.5
89.02283	0.4
94.97957	15.5
96.95890	7.4
97.02848	1.4
99.00750	0.7
101.02315	3.0
106.97955	3.7
114.54391	0.5
122.97472	2.9
125.02334	2.4
127.03880	0.8
134.97456	5.9
136.99046	1.9
148.99034	6.4
152.98532	5.6
156.30553	0.4
164.98543	12.7
165.98860	0.5
188.98502	0.4
206.99586	2.7
225.00702	16.2
226.01094	0.6
279.23267	2.3
281.24817	1.8
291.78772	0.5
299.04404	3.0
348.14130	0.4
506.32462	1.0
579.28412	100.0
580.28760	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.9
61.98702	100.0
63.96096	0.3
69.03321	0.3
69.94250	0.3
70.09836	0.5
70.10225	0.6
71.01252	2.2
73.02823	0.8
78.95785	0.5
78.98470	2.4
79.95605	3.6
80.96390	21.7
85.02818	0.9
87.00766	1.1
91.04880	0.3
94.97955	5.2
94.98555	0.3
96.95898	2.4
97.02860	0.6
98.19799	0.3
101.02340	0.8
106.97962	1.5
111.59886	0.3
121.11626	0.3
122.97450	1.1
125.02357	1.0
134.97440	1.7
136.23088	0.2
136.99030	0.8
148.99054	2.1
152.98511	2.1
152.99545	0.3
164.98524	3.5
191.05542	0.5
206.99649	1.2
225.00699	6.4
231.99478	0.2
279.23230	2.0
280.23566	1.3
281.23907	0.8
282.23999	0.6
299.04376	1.2
481.25827	0.4
579.28418	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51751	0.2
59.01249	18.2
60.01606	0.2
69.23044	1.1
69.23470	1.1
71.01249	0.6
73.02865	0.2
77.91359	0.2
78.95773	6.2
78.98421	0.6
79.95617	0.9
80.96387	6.5
82.95998	0.5
83.19072	0.2
94.97967	1.5
98.20518	0.4
103.96940	0.2
106.97983	0.2
120.14423	0.2
120.48989	0.2
120.49860	0.2
122.97462	0.4
125.02312	0.4
134.97490	0.4
148.99078	0.4
152.98442	0.4
152.99509	1.0
164.98576	0.6
168.04276	1.5
194.86740	0.2
224.06918	1.2
225.00648	0.8
226.00945	0.3
242.07877	2.8
261.22244	0.3
279.23273	100.0
280.23611	11.1
280.26779	0.3
296.99719	0.2
504.30954	26.7
505.31256	4.8
524.96179	0.2
578.27173	7.8
579.27106	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88268	0.3
54.23105	0.3
59.01251	21.1
70.91867	0.9
70.92223	0.4
71.01254	0.8
78.95776	19.7
78.98461	0.8
79.95607	0.9
80.96394	5.4
94.97977	0.9
134.97476	0.4
141.42888	0.4
148.79169	0.4
152.99532	3.2
164.98540	0.5
168.04219	3.4
173.23972	0.4
224.06912	8.2
225.00748	0.8
225.07242	0.4
242.08008	2.3
243.80054	0.3
261.22217	0.5
279.23282	100.0
280.23630	12.1
377.51785	0.4
504.30972	57.6
505.31284	9.2
554.50897	0.4
578.27118	8.3
579.26782	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	15.7
61.98683	0.3
63.96106	0.8
65.18452	0.2
67.64856	0.2
69.03313	0.5
71.01257	4.4
71.52372	0.3
71.52713	0.2
73.02821	0.9
78.95773	6.3
78.98455	3.2
79.95606	6.6
80.59761	0.2
80.96390	40.5
81.03320	0.3
85.02827	1.6
87.00745	1.2
94.97956	8.8
96.95910	0.6
97.02829	0.8
99.00747	0.3
101.02327	1.5
106.97974	1.9
107.43933	0.3
122.97472	2.5
125.02351	1.6
127.03922	0.5
134.97472	2.8
136.99052	0.7
146.97444	0.3
148.99037	3.2
152.78566	0.2
152.98520	3.3
152.99562	0.7
164.98532	6.0
168.04222	1.6
182.99706	0.4
206.99599	1.2
224.06874	1.0
225.00702	7.7
226.00986	0.3
242.07965	2.8
277.21725	0.8
279.23279	100.0
299.04471	1.1
435.16446	0.3
504.30975	30.9
577.26868	55.3
578.27167	10.2
578.36603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33501	0.3
59.01251	2.5
60.70983	0.4
61.80620	0.4
63.96101	1.5
66.58936	0.4
69.03303	0.8
70.55289	0.8
70.55647	0.9
71.01253	9.7
73.02827	1.5
74.86944	0.4
78.95781	1.0
78.98458	7.1
79.95605	13.4
80.96388	83.3
81.03349	0.9
83.01266	0.4
85.02824	3.5
87.00741	2.9
94.97958	17.9
94.98572	0.9
96.95892	1.2
97.02816	2.0
99.00767	0.6
101.02304	2.7
106.97966	4.1
113.02325	0.6
122.97463	3.8
125.02351	2.8
127.03864	0.4
129.47649	0.4
134.97470	6.6
136.99023	2.3
148.99046	6.2
152.98506	6.7
164.98538	13.9
167.00089	0.9
206.99626	2.9
214.93253	0.6
224.06912	0.6
225.00688	15.9
226.00923	0.7
277.21762	1.3
279.23206	4.4
288.36502	0.4
294.80200	0.5
299.04395	3.5
504.30737	2.3
529.84338	0.4
577.26849	100.0
578.27167	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12815	0.2
54.95247	0.2
57.03326	0.3
59.01254	0.4
61.98693	0.7
62.96286	0.3
63.89739	0.2
67.01752	0.5
69.03328	0.4
70.82241	0.4
70.82603	0.5
71.01264	0.4
71.04897	0.4
78.95775	100.0
79.95602	0.8
80.79499	0.2
82.07755	0.2
83.04916	0.3
85.02810	0.4
87.00760	1.0
93.03333	3.3
94.03656	0.4
95.95121	0.3
96.95905	3.2
96.96839	8.7
103.00226	0.2
111.04407	0.6
122.98434	0.9
127.11189	0.7
134.03624	0.4
135.04404	0.8
136.48288	0.2
152.99489	14.5
153.99832	0.3
167.14323	1.5
168.13864	1.3
171.00551	19.4
172.00819	0.2
173.04498	1.8
173.05960	0.3
179.03481	0.3
191.05531	2.8
192.05901	0.3
194.05788	1.1
211.13371	1.3
214.04768	0.5
215.51590	0.2
229.14374	1.5
238.04997	0.4
238.08389	0.3
241.18059	1.8
268.09491	3.1
282.20731	0.4
366.16946	1.5
426.19214	0.4
434.06680	0.3
449.14526	0.8
480.23529	0.6
493.21191	0.7
535.21680	0.4
578.30975	52.7
579.22076	0.5
579.31329	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.6
59.00955	0.6
59.01249	12.3
60.99153	0.5
61.98702	0.4
67.01758	1.3
69.03316	3.0
70.03680	0.3
71.01248	3.7
71.53778	0.5
72.99178	0.6
73.02818	2.1
78.95781	0.4
79.95606	7.9
80.96387	3.9
81.03313	0.4
83.01246	0.5
83.04899	0.7
85.02826	5.1
87.00738	3.0
89.02338	0.8
93.03325	7.5
95.95101	1.4
96.95885	100.0
97.02834	0.9
97.95791	0.4
99.00768	1.0
101.02335	2.3
103.00249	7.4
109.02840	0.7
111.04380	1.3
113.02335	1.0
117.20553	0.3
118.45034	0.3
127.03938	0.9
133.20886	0.4
135.04387	0.6
138.96992	0.9
141.01828	0.4
143.03372	0.4
150.96989	0.8
152.98544	1.5
155.03378	0.4
159.10167	0.8
164.98560	5.0
173.04468	3.7
179.03365	0.5
180.98038	2.5
185.00822	1.3
191.05533	33.9
192.05844	1.0
203.01917	0.5
214.02547	0.4
227.03503	0.3
233.06517	0.4
241.00066	3.9
242.02133	1.5
254.09317	0.3
256.99640	0.5
270.01761	1.6
270.08655	0.3
283.13519	0.7
298.01187	0.9
309.15250	0.4
311.12854	0.5
324.10077	0.4
327.15927	0.5
353.13986	1.6
385.16522	3.0
386.17068	0.5
414.09427	0.9
415.10382	0.4
473.14896	1.7
491.15918	64.8
492.16232	7.9
533.16968	34.2
534.17358	5.1
559.14960	0.9
577.15814	31.3
578.16064	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56958	0.3
57.03323	0.9
59.01256	3.4
59.10385	0.3
60.99171	2.6
61.98719	0.4
66.14336	0.3
67.01766	7.9
69.03329	3.3
70.79963	1.0
71.01253	2.9
73.02823	0.5
76.83070	0.4
81.03317	1.9
83.01278	0.4
83.04905	1.7
85.02821	6.8
87.00751	12.2
93.03336	49.8
94.03686	2.0
96.95889	2.2
97.02811	0.6
99.00784	1.3
99.04385	0.5
100.18025	0.4
101.02330	0.5
104.79689	0.3
109.02834	1.1
111.04411	6.3
112.04744	0.5
112.64677	0.3
113.02312	0.8
113.68690	0.4
116.12189	0.3
127.03947	1.7
129.01843	1.4
133.02838	0.3
135.04381	0.7
137.02344	0.8
141.01843	0.4
143.03351	0.7
146.03644	0.4
147.04391	0.5
148.04852	0.4
152.41600	0.3
155.03416	1.4
159.04414	0.9
161.02376	0.4
163.07558	1.3
171.02885	0.4
171.04257	0.4
172.05257	0.5
173.04488	24.2
173.05946	2.0
174.04790	1.2
174.06778	0.4
175.03995	0.5
176.04552	0.4
177.09088	0.9
179.03429	0.4
182.03667	0.7
185.00819	0.6
185.06076	0.3
186.06793	1.8
187.07555	3.1
189.05548	0.6
189.09093	0.7
191.05539	100.0
192.05867	3.6
200.04701	1.0
201.05525	2.6
201.09157	1.0
202.06342	1.1
203.07091	0.8
204.07921	1.0
211.07582	1.0
213.09244	0.6
214.06296	2.2
215.07057	4.0
215.10710	0.8
216.07314	0.4
227.07181	0.4
229.08598	1.9
231.10234	0.9
233.06641	5.1
233.11766	0.4
233.66223	0.3
244.11006	1.1
254.88274	0.4
255.06519	0.7
256.07361	1.4
263.12943	0.7
274.08466	0.4
287.08914	0.5
288.09976	1.6
306.11227	0.5
307.11826	1.0
313.06958	0.3
346.85107	0.4
350.13870	0.9
353.13571	0.4
371.15140	0.3
385.16541	3.2
386.16922	0.4
404.14841	0.7
419.13419	0.5
449.14838	0.4
480.16525	0.7
507.98492	0.4
526.42358	0.4
533.17206	0.5
545.20313	6.9
546.20667	1.5
577.22852	9.7
577.31104	0.6
578.23309	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20048	0.2
52.96551	0.2
59.01250	20.7
60.01608	0.2
61.98691	0.2
70.18523	0.2
70.45316	0.6
71.01250	0.4
73.20152	0.2
73.53248	0.2
78.95312	0.4
78.95774	7.1
83.04900	0.2
93.03273	0.2
112.10349	0.2
126.82750	0.2
133.68959	0.2
152.99504	1.5
168.04207	1.9
209.67285	0.2
224.06836	1.3
233.22783	0.4
242.07968	3.4
259.20667	0.4
269.59207	0.2
275.20181	0.5
277.21704	100.0
278.22055	9.6
502.29382	28.2
503.29660	4.9
546.02551	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	28.9
61.98696	0.8
66.23055	0.3
71.01245	0.4
78.95775	26.9
96.96822	0.4
122.98436	0.5
152.99490	4.3
168.04248	4.3
191.05553	0.5
224.06876	11.0
225.07332	0.4
230.52216	0.5
233.22650	0.6
242.07930	3.1
275.20053	0.4
277.21713	100.0
278.22049	10.5
296.83609	0.4
348.67227	0.4
391.75458	0.4
502.29388	71.1
503.29761	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1564
Annotation	Isovitexin 4'-O-rhamnopyranoside
Peak:m/z	Relative Intensity
51.23280	0.6
57.03341	0.6
58.00469	1.6
59.01250	26.9
69.58231	2.2
69.58641	1.8
71.01252	8.8
72.61385	0.7
72.99181	2.2
73.02811	2.9
75.00729	0.6
78.95811	0.6
85.02826	6.9
87.00765	0.7
87.25733	0.6
89.02333	4.8
93.03325	0.9
96.10426	0.6
96.95895	2.2
101.02322	3.5
103.03894	2.7
117.03343	6.0
119.03373	0.9
130.70691	0.7
131.01265	1.2
161.02373	0.9
163.00227	0.7
163.05995	0.7
168.59833	0.6
173.02362	2.7
175.00284	9.0
191.05513	3.4
221.06044	0.7
269.04547	8.1
281.04556	7.2
282.05322	5.4
283.06079	7.7
284.06342	0.8
293.04541	100.0
294.04926	10.1
295.06186	4.3
296.06458	0.7
307.05890	0.9
309.04025	1.0
311.05557	11.8
314.04285	2.8
322.04724	0.9
323.05582	7.6
324.05978	0.9
325.07199	1.0
335.05405	3.1
341.06680	8.1
342.06992	1.1
353.06778	2.4
355.08170	0.8
377.06555	1.0
395.07678	1.1
396.65231	0.8
413.08752	38.6
414.09134	5.3
457.11166	3.9
458.11621	0.7
488.74817	0.7
577.15576	70.0
578.15845	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1562
Annotation	Isovitexin 4'-rhamnoside
Peak:m/z	Relative Intensity
52.53145	0.4
59.01239	1.2
61.33545	0.4
63.02242	0.4
65.51631	0.4
67.01753	0.9
69.03323	0.8
71.01240	0.8
84.16606	0.4
85.02811	2.0
87.00768	1.0
93.03323	3.3
96.95882	3.9
109.02833	1.7
111.04417	0.5
127.03873	0.6
133.02855	11.1
133.36151	0.4
134.03207	0.4
135.04387	1.0
147.04398	0.9
149.02466	0.5
151.00256	1.4
161.02374	0.7
173.04442	1.3
175.03911	5.5
177.01860	5.4
178.99773	1.3
191.05550	19.2
192.05858	0.7
199.03906	1.6
201.01852	1.6
219.06569	0.6
224.04800	0.4
225.05511	1.5
239.07072	0.9
241.05280	0.6
241.08290	0.4
243.02858	0.7
243.06546	0.8
265.05081	0.5
267.06595	1.8
268.03802	0.6
269.04556	2.6
283.06024	0.9
284.03271	1.7
285.03961	0.8
297.04105	2.0
298.04739	2.4
299.05176	0.6
309.04016	6.9
310.04474	1.0
311.05597	100.0
312.05978	9.4
322.05084	0.5
323.05728	0.7
325.07224	3.1
353.06619	6.1
354.07034	0.6
379.08325	1.4
385.16583	2.7
396.08627	0.5
397.09241	13.6
398.09589	1.7
415.10327	94.4
416.10678	11.3
491.16132	0.9
559.14899	3.1
560.15320	0.7
577.15320	7.9
578.15826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.6
65.00189	0.4
66.35104	0.4
67.01759	0.9
69.03328	0.8
69.40664	2.5
69.41074	0.7
71.01262	0.6
79.95615	0.9
83.01305	0.3
85.02792	2.2
87.00747	0.8
90.40396	0.4
93.03313	2.6
96.95878	3.8
101.02357	0.4
103.00225	0.4
109.02831	1.7
111.04357	0.5
133.02838	10.7
134.47504	0.4
135.04420	0.5
142.28551	0.4
147.04427	0.7
151.00220	1.1
151.03845	0.6
161.02386	0.4
164.39351	0.4
173.04451	1.6
175.03926	5.0
177.01874	4.6
178.99731	0.7
190.02702	0.4
191.03772	0.9
191.05527	13.2
193.79359	0.4
199.03920	1.6
201.01859	2.1
211.07698	0.6
212.04630	0.5
224.04709	0.6
225.05478	1.5
239.07111	1.1
241.05103	0.6
243.06694	0.6
253.04907	0.7
254.72839	0.4
265.04999	0.7
267.06503	2.0
269.04581	1.7
269.94775	0.5
281.04504	1.2
282.05313	2.4
283.05975	0.9
284.03381	2.3
285.03931	1.0
297.04044	3.7
298.04803	2.4
299.05185	0.6
307.06122	0.4
309.04065	7.2
310.04715	5.5
311.05579	100.0
312.05939	10.6
323.05573	1.2
324.06372	0.8
325.07065	3.4
339.04520	0.5
341.06796	0.7
353.06644	6.4
353.13812	1.4
354.06638	0.6
379.08051	1.2
385.16507	0.9
396.08456	1.2
397.09262	14.4
398.09409	1.4
414.09644	0.7
415.10306	28.8
416.10519	3.2
473.10815	3.7
474.11398	0.8
478.70892	0.4
491.16159	1.7
510.51462	0.4
529.29657	0.4
533.17365	0.9
559.14490	2.0
577.15546	59.0
578.15906	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	3.9
60.99170	2.4
61.98724	0.8
71.53688	0.9
76.50992	0.8
87.00750	5.7
88.00275	11.9
88.03928	1.5
88.98682	13.6
89.02315	100.0
90.02628	1.8
94.46850	0.7
148.90852	1.1
182.01021	0.8
185.00731	1.0
225.93414	0.9
324.97910	1.1
391.73676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	14.5
61.98705	1.0
69.65716	0.6
70.81774	0.7
70.82108	0.9
71.01258	3.9
73.02808	0.8
78.95778	2.5
85.02845	1.0
88.28301	0.7
89.02317	3.1
99.00713	0.6
100.95925	0.6
101.02338	3.3
113.02343	1.0
119.03358	1.0
134.48982	0.6
161.04510	0.9
234.10657	0.6
235.08315	1.1
249.18607	0.8
253.09274	14.1
254.09631	0.7
278.43622	0.7
279.23300	100.0
280.23627	8.9
388.21481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.6
61.11676	0.3
61.98701	100.0
69.40768	1.0
69.41196	1.3
71.01250	1.9
78.98485	1.4
79.95601	2.0
80.96390	13.2
85.02830	0.7
87.00787	0.4
94.97965	2.5
96.95914	0.3
101.02352	0.4
101.62252	0.3
106.98010	0.7
108.00225	0.3
109.27962	0.3
113.02280	0.3
122.97484	0.4
125.02380	0.6
134.97499	1.3
136.99068	0.3
148.99036	1.1
152.98587	1.3
156.78252	0.3
164.98582	2.5
206.99672	0.7
221.05325	0.3
225.00688	3.0
277.21786	0.9
278.22162	1.2
279.22485	0.9
280.22717	0.5
299.04428	0.4
577.26886	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38788	0.3
59.01274	0.3
59.21483	0.4
61.98703	100.0
64.46301	0.3
67.18502	0.3
67.62200	0.3
70.86033	0.4
70.86369	0.7
73.44344	0.3
78.95771	0.7
80.96390	0.5
93.45686	0.3
95.82629	0.3
98.24614	0.3
119.03578	0.4
231.92928	0.4
248.69946	0.3
277.21945	0.7
278.22137	1.0
351.97675	0.4
527.22339	0.3
577.26855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10702	1.2
57.03316	2.6
58.00459	4.2
59.01253	67.6
64.91502	1.0
69.03313	1.7
70.68038	3.1
71.01256	56.4
72.99171	3.8
73.02835	2.5
80.70550	1.2
83.01270	6.0
84.42888	1.1
85.02834	8.0
87.00748	17.8
89.02322	61.6
91.39845	1.0
95.01236	3.0
96.95875	3.9
99.00761	2.7
101.02328	26.2
113.02328	27.3
119.03396	24.4
131.03401	3.3
137.74164	1.2
139.94176	1.1
143.03391	8.8
149.04442	2.3
159.02930	1.6
161.04469	11.9
179.05536	21.2
182.72226	1.0
191.05518	2.8
211.26193	1.4
249.18571	100.0
250.18869	8.9
254.74655	1.1
263.19998	5.0
273.18472	1.2
275.75592	1.3
281.79535	1.3
291.19437	3.4
316.45493	1.2
323.09821	13.4
341.10873	44.5
342.10989	3.7
342.99597	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1406
Annotation	Maysin
Peak:m/z	Relative Intensity
53.53785	1.2
55.01735	1.7
57.03323	2.3
58.00454	1.0
59.01252	25.7
61.98676	2.3
65.00177	1.2
69.03330	31.0
69.33938	2.4
69.34341	7.1
71.01260	10.9
72.99171	3.8
73.02806	3.4
79.01756	1.3
79.95612	1.9
83.01257	1.8
83.04884	1.1
85.02818	5.6
87.00742	4.4
87.27213	1.2
88.88561	1.1
89.02297	6.6
89.02754	1.1
93.03333	3.3
95.01236	3.0
95.95117	1.1
96.95885	11.2
97.02839	10.9
99.00776	7.5
100.72586	0.9
101.02332	5.1
107.01254	1.4
109.02817	2.4
109.77061	1.1
113.02324	3.1
117.03328	1.5
119.03337	3.1
121.02810	1.8
123.00734	2.0
131.03418	1.8
132.02098	1.4
133.02852	34.9
134.03549	4.3
135.00742	1.9
135.04396	2.4
136.01553	1.1
141.01833	9.1
147.04346	1.4
151.00237	2.7
151.03882	1.3
161.02348	13.2
163.00272	13.8
163.03929	1.3
164.00874	1.0
165.01802	2.0
173.02315	2.4
173.05991	1.1
174.03247	1.4
175.00267	5.1
175.03851	4.3
177.01755	2.3
178.02582	3.2
179.03404	16.8
183.04320	1.3
185.00856	16.2
186.06746	1.4
187.00238	1.1
191.03960	0.9
191.05507	7.3
193.04871	1.0
194.05750	10.3
197.05981	1.3
199.03900	3.1
201.01915	6.6
202.02293	1.3
202.99780	3.7
203.01839	8.3
205.15770	1.0
208.07347	1.3
209.06200	2.0
209.08122	12.2
211.03909	1.8
213.05504	1.5
214.06213	1.9
224.04684	1.6
225.05505	4.4
227.03407	4.0
229.05009	2.1
230.05617	1.1
232.27248	1.0
237.05431	1.4
241.05019	4.3
243.02951	1.3
251.03415	1.6
253.05063	7.6
254.05678	1.5
255.02872	4.5
265.05005	2.8
267.02902	3.0
269.04636	6.9
270.05054	1.6
279.02872	1.3
281.04474	2.2
283.13281	1.6
284.03305	6.2
285.04047	47.3
286.04370	3.0
293.04599	1.1
297.04053	88.3
298.04800	100.0
299.05316	16.3
308.03146	2.5
309.04059	49.8
310.04361	6.5
311.05579	28.2
311.13168	1.4
312.06036	2.8
321.03918	2.7
322.04956	1.3
323.05487	1.9
324.02695	4.5
324.99994	1.8
325.03583	25.8
325.07449	1.8
326.04071	6.1
326.07501	1.1
327.01514	1.6
327.05103	28.5
327.15829	2.1
328.05307	2.9
330.03995	6.2
331.04218	1.1
337.03558	50.9
337.17029	1.0
338.03946	7.5
339.04962	8.4
349.03268	1.2
349.07260	1.6
351.05112	1.9
353.02902	2.4
355.04578	2.8
357.06094	4.5
365.06580	2.3
366.03680	3.3
367.04413	6.5
367.08472	2.2
369.05914	2.1
371.15128	1.8
383.07654	2.0
385.05695	2.4
389.16034	1.6
393.06122	7.1
411.07224	94.7
412.07657	12.2
413.08719	1.8
428.07208	3.6
429.08328	6.7
473.10883	48.9
474.11310	5.4
490.17538	4.9
493.17230	2.1
515.17267	1.2
531.11444	2.3
532.18152	2.7
544.78040	1.1
557.13098	3.2
575.13885	92.4
575.29987	2.9
576.13971	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.8
67.93745	0.4
69.03335	0.6
69.41148	0.3
69.41472	3.2
78.87707	0.4
79.05414	0.4
85.17606	0.4
86.79548	0.3
90.25282	0.4
96.95905	1.2
97.02872	0.5
98.20518	0.6
104.03503	0.4
105.03351	0.6
123.04412	0.7
133.02890	1.0
151.03931	2.2
153.01840	0.6
161.02347	10.5
176.04637	0.5
178.02650	1.2
179.03418	75.3
180.03731	4.2
193.04996	1.3
194.05775	63.7
195.06122	3.5
203.01917	0.8
209.08128	100.0
210.08472	6.0
214.16368	0.4
263.98630	0.4
315.05307	0.6
353.12442	1.2
371.13455	16.7
372.13782	1.3
413.14502	6.3
414.14899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.9
63.51741	0.2
65.03846	0.3
69.03339	1.9
69.63145	1.3
71.01256	0.8
79.95635	0.3
80.96397	0.5
85.02829	0.5
87.00756	0.8
89.03856	0.5
93.03359	0.6
95.04893	0.3
96.95876	1.6
97.02842	1.2
98.20568	0.2
99.00754	0.3
101.02310	0.4
105.03369	0.6
109.02802	0.2
111.42884	0.2
121.98583	0.2
123.04431	0.7
127.03879	0.2
133.02856	1.1
135.04369	0.4
141.01833	0.4
151.03897	2.6
153.01833	0.6
161.02348	10.4
162.02682	0.5
176.04648	0.5
177.01888	0.8
178.02646	0.9
179.03418	70.8
180.03769	3.4
185.00841	1.2
185.02235	0.3
191.05557	0.4
192.04181	0.6
193.04993	1.7
194.05772	58.4
195.06091	3.4
198.26688	0.2
203.01881	1.4
207.06592	0.6
208.07341	0.5
209.08130	100.0
210.08461	5.9
254.09415	0.3
259.86322	0.3
273.61237	0.2
283.13483	0.6
311.12820	0.5
327.16013	0.7
353.12411	3.5
354.12711	0.5
363.34219	0.3
371.13446	12.1
372.13876	1.2
413.14514	13.0
414.14960	1.1
471.15186	0.4
531.17328	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99669	0.6
59.01257	4.6
61.63181	0.5
65.18704	0.5
69.03325	7.6
69.62513	1.6
69.62936	2.3
71.01263	3.2
73.02814	1.1
79.95573	0.9
83.01279	0.7
83.50871	0.5
84.85807	0.6
85.02826	0.9
89.02349	0.6
93.03333	0.9
95.01295	0.6
95.05014	0.5
96.95902	5.4
97.02835	2.3
99.00758	2.2
101.02334	1.8
102.70007	0.6
103.87014	0.6
109.02844	1.3
117.03369	0.5
121.02851	0.9
123.04415	1.1
133.02844	6.8
134.03688	0.9
141.01791	1.3
149.02348	0.9
151.00272	1.2
161.02330	1.1
161.99503	1.2
163.00247	3.1
175.03917	0.7
185.00864	4.3
188.01010	1.9
189.98988	7.5
190.99687	1.1
191.05537	2.8
201.01883	1.7
202.99899	1.0
203.01877	3.0
203.03545	0.7
211.03896	1.9
212.04636	1.4
213.90813	0.6
217.93341	0.6
223.03975	0.7
224.04681	2.6
227.03462	1.1
227.07233	0.7
235.03943	1.6
236.04616	1.0
239.03383	1.2
240.04233	1.9
251.03409	1.9
251.08022	0.8
252.04454	2.7
253.04688	0.8
255.02945	2.3
256.03561	1.0
263.03506	0.9
267.02890	1.6
268.03668	2.7
269.04550	1.7
279.02942	3.3
279.07666	2.0
280.03592	0.7
281.04471	0.8
283.02490	1.3
284.03232	3.9
285.04010	14.5
285.07129	0.8
286.04327	1.1
291.05264	0.8
295.02371	1.8
296.03198	3.1
297.04071	9.0
298.04620	2.7
307.02658	0.8
309.04138	1.8
311.01959	4.5
311.05505	1.3
312.02560	0.8
313.03488	5.4
317.02954	0.7
323.01962	2.0
324.02728	90.4
325.03284	19.3
326.03995	1.3
327.05038	1.6
337.03510	5.2
339.05054	1.4
341.03052	2.0
353.02972	2.3
367.04431	1.0
381.06052	1.1
409.05643	6.5
411.07455	0.8
427.06479	4.4
471.09222	4.8
532.07141	0.7
558.86530	0.6
573.12463	100.0
574.12793	19.0
574.21948	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94076	0.7
52.52612	0.6
55.01737	1.0
55.54123	0.7
57.03319	2.4
58.00457	2.8
59.01249	65.9
60.01576	1.2
61.98687	1.1
63.17705	0.6
67.60793	0.7
69.03303	1.3
71.01252	59.6
72.99193	4.4
73.02821	4.5
75.00745	1.8
83.01260	6.4
83.04868	0.8
85.02824	10.4
87.00751	23.5
89.02314	63.7
90.02658	1.2
95.01250	3.4
96.95881	3.5
97.02821	1.3
97.05235	0.7
99.00762	2.0
101.02327	30.5
109.83451	0.7
113.02332	29.9
114.02681	1.4
119.02578	1.6
119.03388	24.0
120.03709	0.8
125.02403	1.2
129.01779	1.1
131.03368	4.0
138.17032	0.8
139.00221	0.8
141.01819	1.3
143.03412	8.8
149.04468	2.3
154.66153	0.8
159.02872	1.4
161.04469	9.8
174.79869	0.7
179.05531	23.5
180.05843	1.1
187.95653	0.7
205.19542	1.1
231.17633	1.7
245.19077	1.7
249.18573	100.0
250.18912	10.4
263.20145	7.1
269.68585	0.7
273.18652	1.2
291.19696	4.0
323.09833	12.5
324.10083	0.8
341.10864	45.0
342.11169	3.3
467.93106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72493	0.8
59.01239	1.9
60.76320	0.8
70.66690	2.7
71.01247	0.9
71.30840	0.8
73.98787	0.9
79.95605	3.6
87.00734	1.3
89.02322	2.4
96.95888	11.8
101.02338	2.1
109.99973	3.2
119.03374	1.0
123.00713	1.0
124.01598	1.0
125.02322	0.9
136.98657	1.4
137.99496	1.3
138.56650	0.9
139.00269	6.5
144.64546	0.9
151.00266	7.0
151.03882	1.3
161.02423	0.8
163.00339	2.3
164.01070	1.8
164.98260	0.8
165.98996	9.1
166.99625	1.3
175.00314	1.0
178.99779	3.7
198.03200	1.2
203.07315	0.8
206.99086	1.4
213.01814	1.8
214.02618	3.4
215.03368	1.5
216.04176	0.9
218.63695	0.9
226.02603	1.8
227.03456	1.9
241.00223	1.4
242.02155	6.2
243.02901	3.7
244.03564	1.1
254.02217	2.5
255.02878	2.9
256.03680	1.0
257.04565	1.4
259.02426	1.7
270.01743	7.1
271.02448	5.3
272.03122	1.5
285.04034	15.7
286.01230	1.7
286.04446	1.6
287.01901	4.1
287.05463	2.1
298.01318	1.0
299.01971	3.6
300.02573	2.2
301.03668	2.7
302.04196	1.5
303.05118	2.5
313.03510	4.9
315.01672	1.7
315.05127	4.0
316.02209	21.8
316.05737	1.4
317.02383	1.4
327.05051	1.7
329.03015	1.5
330.03784	4.2
331.04575	100.0
332.04926	9.2
339.12497	1.9
373.05658	4.4
411.00595	1.1
447.09100	1.3
461.07150	4.2
462.07742	1.1
463.08102	1.2
465.10431	1.4
466.95145	1.0
475.08868	3.3
476.08746	0.9
493.09848	34.9
494.10107	4.0
537.19678	1.7
573.05438	5.1
574.05450	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00994	1.4
59.01252	17.7
61.28718	1.1
61.98689	3.3
64.70183	1.2
65.00173	1.7
66.35823	1.5
69.03316	20.8
71.01242	7.9
72.99184	1.4
73.02802	4.9
79.95602	9.4
80.96368	1.6
83.01222	1.6
85.02813	2.9
87.00716	2.0
88.04280	1.3
89.02315	3.1
93.03289	2.0
95.95092	2.2
96.95886	52.0
97.02836	8.6
99.00739	5.5
101.02301	6.0
103.00234	4.7
107.01287	2.3
109.02816	3.8
113.02265	2.2
116.28587	1.2
123.00709	1.9
125.02264	1.5
131.01219	1.9
132.02097	1.9
132.91521	1.3
133.02841	29.4
134.03564	1.5
135.00717	1.5
135.04369	2.0
141.00066	9.0
141.01816	4.1
149.02283	1.6
150.97003	1.2
151.00201	4.1
155.10655	2.1
161.02318	5.7
163.00240	10.5
164.98409	1.7
173.02286	1.6
175.00272	4.0
175.03896	3.1
177.01884	2.3
178.44829	1.6
185.00880	11.4
187.03934	1.6
189.99011	2.8
190.99677	2.1
191.05505	5.3
199.03941	2.0
199.09695	1.7
201.01851	5.3
202.99731	4.0
203.01859	9.0
203.03424	1.5
203.06805	1.7
209.06079	1.4
216.00536	1.5
225.05450	3.9
227.03433	3.0
229.05002	1.5
239.03447	1.4
241.00183	2.9
241.04968	2.8
253.04932	4.2
255.02913	8.9
267.02902	3.4
269.04507	5.4
279.02817	3.1
280.03656	2.1
281.04376	2.3
283.02274	4.4
284.03253	10.9
285.01001	2.5
285.04044	45.1
286.04221	2.6
293.04254	1.4
296.03235	1.7
297.04037	68.3
298.04730	23.1
299.02258	2.3
299.05414	4.8
305.89484	1.3
307.02536	2.7
308.03210	4.7
309.04019	29.8
310.04440	4.0
311.01843	11.4
311.05569	8.7
312.02353	2.4
313.03372	5.6
322.04803	1.5
323.05429	2.1
324.02676	20.7
325.03510	81.2
326.03781	11.0
327.05115	8.5
335.05521	2.0
337.03418	22.8
337.07199	5.6
338.03952	4.3
339.05063	5.0
341.03015	2.6
343.15652	1.7
351.04626	1.6
352.02097	2.4
353.02994	46.0
353.06812	3.0
354.03271	4.9
355.04816	1.3
363.04935	2.5
365.06607	8.6
367.04190	3.4
381.06058	8.6
409.05634	100.0
410.06018	17.0
411.07242	6.6
426.05902	1.8
427.06638	55.9
428.07047	7.9
431.09808	1.8
471.09335	1.9
473.10800	5.2
485.14883	3.2
488.15979	21.0
491.15991	13.0
493.07916	1.6
499.08734	9.1
530.16895	12.0
555.11639	2.1
573.12335	77.1
574.12891	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18104	0.3
53.04328	0.3
57.03321	1.4
58.32416	0.3
59.01260	1.7
60.99180	5.6
61.98706	0.9
65.03825	0.6
67.01759	14.3
69.03323	4.3
69.81770	1.7
71.01254	5.1
73.02838	0.3
81.03332	2.7
83.04906	2.3
84.74388	0.3
85.02834	1.0
87.00751	18.6
93.03334	100.0
94.03664	3.4
95.04919	0.5
96.15306	0.3
96.95901	0.8
97.02838	0.4
99.00770	2.1
99.04397	1.7
101.02318	0.6
105.03328	2.6
109.02817	1.5
111.04406	14.2
112.04736	0.4
113.02316	1.6
115.03893	1.0
123.04416	0.4
125.02327	0.3
127.03900	0.3
129.01863	1.9
133.02847	15.9
134.03702	2.0
135.04420	2.8
135.07100	0.3
137.02310	0.7
143.03371	0.9
151.03871	0.3
155.03424	3.2
171.10176	0.5
173.04468	60.5
174.03404	0.5
174.04773	2.6
177.01855	3.4
178.02635	0.7
179.03368	1.1
181.08633	0.6
191.05545	4.8
195.24619	0.3
209.11804	0.5
215.05592	2.2
277.51685	0.3
351.07230	4.1
352.07562	0.4
397.20419	0.8
571.25458	49.1
572.25824	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.9
58.46333	1.3
59.01248	13.4
60.99158	3.4
61.98706	1.9
67.01748	7.1
69.03293	2.1
71.01268	6.2
71.54158	2.6
73.02821	2.0
79.95599	2.7
80.96381	1.7
85.02812	9.2
87.00751	11.8
87.62871	1.3
89.02318	2.5
91.05392	1.9
93.03337	44.2
94.03602	1.5
95.04862	2.5
96.95879	29.8
98.95389	1.4
101.02326	1.6
103.00254	2.6
105.03353	7.6
107.04879	2.9
109.02834	11.5
111.04402	5.8
113.02262	2.2
115.03913	1.3
118.94077	1.2
123.04374	3.1
127.03857	2.2
129.01791	1.7
133.02846	61.9
134.03165	1.4
135.04402	20.4
137.02257	1.3
150.03200	2.7
155.03380	3.2
156.18286	1.3
171.10146	3.5
173.04480	35.6
173.05974	2.4
173.60338	1.4
177.01859	23.4
178.02121	1.4
179.03369	6.5
191.05544	100.0
192.05872	3.6
215.05550	39.7
241.00165	2.2
307.08197	5.3
327.21707	3.8
351.07178	73.7
352.07529	8.4
381.69696	1.3
397.20154	1.7
485.18704	1.4
485.24374	13.9
527.25092	4.4
529.16901	2.5
571.25122	10.9
572.25360	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15983	0.3
55.01761	0.4
56.58823	0.3
59.01250	13.9
59.28087	0.3
61.98702	2.3
69.03330	2.4
70.77533	0.8
71.01250	7.3
72.99180	0.7
73.02819	3.7
78.95781	1.2
79.95609	9.1
80.96394	3.6
83.01264	1.2
83.04904	0.6
85.02818	2.7
87.00758	1.8
89.02328	1.1
93.03337	0.7
95.95102	2.9
96.95889	100.0
97.02838	1.0
97.21507	0.4
97.95843	0.6
98.95491	1.0
99.00776	0.7
101.02322	5.1
103.00249	6.8
113.02327	1.7
119.03413	0.5
119.04901	0.9
125.02351	0.4
125.05953	1.1
127.11163	1.5
131.03387	0.4
133.02847	0.5
134.97476	0.8
135.04370	0.5
136.99203	0.4
138.96985	0.9
143.03400	0.7
143.07016	1.7
150.96950	0.6
152.98511	1.5
152.99564	0.9
163.03969	0.5
163.07364	0.4
164.98546	10.7
165.98810	0.4
171.10193	5.6
173.04404	0.4
180.98044	1.2
181.08675	2.3
185.00841	0.8
191.05495	2.9
194.99641	0.5
199.13315	5.2
200.13603	0.6
204.98064	0.5
209.11732	2.0
222.99103	0.8
225.00665	0.8
225.14914	0.4
241.00206	5.1
267.06421	0.4
283.01263	3.3
285.02698	0.4
327.04132	0.9
341.14279	0.4
342.23495	0.4
365.14047	0.6
385.13040	0.5
387.20364	0.4
405.21301	1.4
447.22330	1.6
467.15790	1.8
485.16440	13.8
486.17105	1.3
491.28818	0.8
527.17944	62.9
528.18317	8.9
553.16162	1.3
570.27985	0.6
571.16791	24.0
571.26154	2.0
572.16980	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03319	0.5
59.01248	14.8
61.98702	3.1
63.13086	0.4
66.81561	0.4
69.03323	2.4
70.29792	0.8
70.30148	0.9
71.01245	4.7
72.99174	0.9
73.02807	2.0
78.95774	10.6
79.95604	11.4
80.96400	4.5
83.01278	0.6
83.04910	0.6
85.02818	3.5
85.06463	1.1
87.00747	1.6
89.02302	1.6
93.03350	0.7
95.95105	4.3
96.95885	100.0
97.02813	0.6
97.06490	0.4
97.95815	0.5
98.95455	0.9
99.00748	1.4
99.08038	1.9
101.02311	4.7
103.00251	9.2
113.02309	1.9
119.03384	0.8
121.10130	0.7
125.09570	0.8
127.11128	0.6
134.97488	0.9
135.04347	0.6
138.96980	1.0
139.11217	0.5
143.03400	0.8
146.03613	1.2
150.96967	0.4
152.98511	1.4
152.99509	13.1
155.14340	3.6
156.31857	0.4
164.98532	9.6
171.00519	1.1
171.10196	7.9
179.03288	0.5
180.97969	1.4
181.08562	0.5
181.15813	0.9
185.00812	0.6
191.05521	3.8
193.12276	3.4
194.99577	0.8
199.13309	7.7
200.13556	0.4
203.01892	0.7
209.11671	0.8
211.13316	1.1
222.99039	1.0
225.00699	1.2
225.14886	7.8
226.15314	0.6
227.03136	1.1
241.00198	5.6
243.15956	2.4
267.01877	1.1
283.01346	3.0
285.02615	0.5
293.21155	0.8
300.77722	0.5
327.03891	1.2
342.99738	0.5
343.24875	12.4
344.25113	1.0
387.20129	1.1
391.10101	0.6
405.21399	4.8
406.21539	1.1
447.22272	3.8
467.15784	1.7
479.24277	0.8
485.16785	16.5
486.17386	2.6
527.17981	73.8
528.18304	9.9
553.15686	1.0
571.16968	28.1
571.28754	32.2
572.17505	4.0
572.28833	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38758	0.3
57.03329	1.4
57.03572	0.3
59.01245	2.0
60.99178	6.1
61.98684	0.3
62.33974	0.3
65.03828	0.7
67.01760	15.3
69.03328	4.7
69.36752	0.3
71.01251	4.0
72.57770	0.3
77.03860	0.4
81.03332	2.8
83.04887	2.1
85.02811	1.1
87.00748	21.7
93.03333	100.0
94.03667	3.5
95.04897	1.1
96.95875	0.7
98.19841	0.7
99.00764	1.5
99.04385	1.8
101.02295	0.6
105.03345	3.0
109.02834	2.0
110.58706	0.3
111.00764	0.5
111.04403	14.1
112.04758	0.5
113.02335	1.8
115.03887	1.0
119.04911	0.3
123.04470	0.4
129.01842	2.6
133.02853	16.4
134.03688	2.0
135.04417	2.6
137.02328	0.9
143.03418	1.2
155.03401	3.1
171.10042	0.3
173.04465	63.5
174.04810	2.8
177.01877	3.8
178.02585	1.0
179.03406	0.9
191.05505	3.5
193.51978	0.3
215.05557	2.3
351.07245	3.7
352.07443	0.4
397.20029	1.0
571.25433	51.7
572.25848	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	15.1
61.98703	3.8
66.95033	0.4
67.86935	0.4
69.03319	1.5
69.27431	2.9
71.01257	2.4
72.99169	0.7
73.02810	0.7
78.95767	0.9
79.95609	16.3
80.96404	2.5
83.01231	0.4
85.02795	2.0
89.02310	0.6
93.03320	1.1
95.95108	7.4
96.95888	100.0
97.02806	0.6
97.95796	0.4
98.95475	2.5
98.96338	0.6
99.00809	0.7
101.02308	1.5
103.00245	9.7
103.00884	0.7
113.02325	0.5
129.01845	1.0
133.02841	0.4
134.97491	0.5
138.96954	0.9
150.96951	1.5
152.98537	1.5
159.02870	0.6
164.67941	0.4
164.98517	2.0
173.04529	0.6
176.98515	1.0
177.03952	1.7
179.03336	0.4
180.98036	1.2
187.07614	0.5
191.05574	2.5
194.99646	0.6
195.71027	0.4
205.10176	0.4
215.07220	0.5
225.00681	0.7
238.98648	1.3
241.00215	4.5
248.10471	0.5
256.99707	15.4
257.99905	0.7
283.01135	0.7
285.02948	0.6
299.00665	2.3
335.08063	0.5
353.09265	2.1
395.09924	0.8
463.20050	1.2
470.11929	2.4
481.21109	81.5
482.21429	9.6
523.22174	37.7
524.22534	5.2
549.20087	1.6
567.21021	30.1
567.27332	1.6
568.21332	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19619	0.9
57.03307	1.9
59.01247	25.3
61.98691	2.2
68.13274	0.9
69.03324	4.9
69.18250	11.1
71.01250	6.2
72.99178	1.9
73.02828	3.4
75.00737	2.5
78.95784	3.0
79.95609	7.6
80.96420	1.6
81.95176	1.1
85.02820	6.8
87.00751	2.4
87.04388	11.3
89.02323	2.2
93.03333	3.8
95.95112	2.9
96.95886	54.0
97.02831	4.4
98.95462	3.3
98.96349	1.1
99.04387	1.9
101.02326	3.9
103.00259	5.1
109.02850	3.5
111.04423	2.0
113.02331	2.6
121.02843	35.3
122.03654	2.1
123.04387	2.8
125.02316	1.2
135.04431	2.3
137.02356	1.3
137.05972	1.9
137.09625	7.8
137.47305	1.1
139.07492	1.8
141.01871	1.2
151.03867	1.3
152.99498	2.4
155.10681	38.0
156.11011	2.9
161.02380	1.0
163.03976	1.1
163.07549	8.7
163.11140	1.6
163.95836	1.0
164.98538	2.4
165.05482	82.4
166.05814	3.5
167.03368	1.0
169.12236	2.4
169.14594	1.1
171.10110	2.2
173.04503	2.5
179.03438	1.2
179.10695	4.5
181.08630	3.8
185.00804	1.7
185.45409	1.1
189.67308	1.1
191.05534	7.1
191.10732	3.2
193.12169	0.9
195.10236	3.4
199.09695	32.0
200.10004	1.7
207.06551	2.1
213.11276	1.8
223.09680	1.2
225.00795	1.0
225.07637	45.3
226.07990	2.7
227.12698	1.7
241.00172	4.3
241.10753	11.9
242.11140	1.6
253.10922	2.1
255.12355	2.6
273.17273	1.4
283.01312	2.2
283.11871	18.4
334.49942	1.2
343.13968	15.9
344.14090	1.4
369.11978	1.2
425.11349	3.0
483.14365	6.7
485.95367	1.0
509.12534	1.5
509.20178	2.1
525.15778	5.6
526.16949	1.4
551.21863	1.8
569.22540	100.0
570.15161	0.9
570.22852	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.2
70.48261	0.5
70.48621	1.2
71.01250	2.0
71.69132	0.3
73.02823	1.1
79.95605	14.3
80.96397	2.7
85.02806	1.4
89.02299	0.3
95.95112	4.2
96.95888	100.0
97.02844	0.4
97.95813	0.5
101.02307	1.6
103.00251	8.4
105.75249	0.4
113.02328	0.7
113.40207	0.4
115.92040	0.3
122.10740	0.4
122.89185	0.4
135.04478	0.4
138.96968	1.2
150.96971	1.4
152.98567	2.0
160.26019	0.4
164.98557	3.1
176.98601	0.6
177.03960	0.5
180.98010	1.9
191.05583	0.5
197.01207	0.6
225.00656	0.9
229.39642	0.4
238.98576	0.8
241.00191	6.0
256.99725	4.0
259.01321	0.4
272.65427	0.4
283.01141	0.7
285.02771	1.1
299.00879	2.1
321.30731	0.4
333.13382	0.4
342.99768	2.3
409.11627	0.6
410.67368	0.4
421.11755	7.3
422.12030	0.9
449.14944	3.3
463.12891	4.0
464.12793	0.6
481.13782	38.9
482.13904	4.8
491.15988	0.9
507.11758	6.0
508.11823	1.0
523.14850	17.4
524.14996	2.5
535.14667	0.9
549.12860	0.8
567.13831	29.4
568.13977	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	12.5
69.23025	3.8
69.23448	5.5
71.01237	2.6
73.02810	2.1
75.00709	1.4
79.95600	7.3
80.96395	2.4
85.02797	1.2
95.95082	1.6
96.95887	100.0
98.95461	1.7
101.02303	1.8
103.00249	16.8
138.96965	2.1
152.98521	1.4
156.17827	0.9
164.98518	2.9
165.02348	1.1
180.98041	1.7
198.99042	1.6
240.95488	1.0
241.00165	6.5
256.99640	1.8
259.01328	2.5
288.61615	0.9
299.00687	1.6
301.02280	1.3
329.37091	0.9
342.99915	1.5
345.01340	1.7
421.11826	6.2
463.12738	2.9
481.13763	52.0
482.14069	5.0
511.22989	1.0
523.14832	32.3
524.15076	5.0
567.13818	28.7
568.14130	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00953	0.6
59.01251	10.3
69.03324	0.3
69.43481	0.8
69.43893	1.7
70.38543	0.3
71.01243	2.0
73.02814	1.4
79.95603	9.0
80.96400	2.7
83.01259	0.5
85.02803	1.4
87.00757	0.3
95.95123	2.7
96.95885	100.0
97.02791	0.4
101.02296	2.0
103.00256	5.7
113.02298	0.5
120.95875	0.3
122.97444	0.5
134.36816	0.3
138.96953	1.1
150.96941	1.1
152.98494	1.7
164.98555	3.4
180.98056	2.8
188.04477	0.3
198.99197	0.3
225.00708	0.9
228.93871	0.3
238.98590	0.6
241.00183	5.3
256.99713	3.5
264.22635	0.3
283.01260	0.4
285.02786	1.1
299.00735	0.7
342.99707	0.7
449.14960	3.5
450.15219	0.5
463.12881	0.6
481.13806	33.8
482.14117	3.7
491.16122	1.1
523.14886	12.2
524.15094	1.8
535.14642	0.8
567.13837	17.5
568.14154	2.4
592.60480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55940	0.3
57.03334	0.4
59.01253	13.8
61.98709	0.9
64.65279	0.3
69.03334	1.0
69.36772	2.2
71.01256	3.7
72.99189	0.5
73.02819	1.1
76.04916	0.2
78.64114	0.3
78.95782	0.8
79.83923	0.3
79.95609	11.7
80.96380	2.1
81.95178	0.3
83.01276	0.7
85.02829	1.9
87.00764	0.8
89.02313	0.3
93.03336	1.1
94.03714	0.3
94.97906	0.3
95.95112	4.4
95.95699	0.4
96.95891	100.0
97.02816	0.6
97.95815	0.4
98.20589	0.5
98.95477	1.4
98.96298	0.3
99.00758	0.4
101.02336	2.4
103.00253	7.7
106.06535	0.3
110.97481	1.5
113.02350	1.0
113.25773	0.3
115.91975	2.0
116.92746	1.0
122.97428	0.3
124.01547	0.3
134.97597	0.3
135.04414	1.3
137.02254	0.5
138.96962	1.3
143.03407	0.4
150.96994	0.7
152.98509	2.1
152.99554	0.3
163.03905	0.3
164.98578	2.1
168.98016	0.3
173.04446	0.5
177.03989	1.1
179.03406	0.4
180.00610	0.3
180.98055	1.9
181.12260	1.3
191.03893	0.3
191.05550	1.9
194.99687	0.5
195.13864	0.3
219.71338	0.3
222.99184	0.4
225.00719	0.5
238.98589	1.1
241.00194	5.7
256.99713	12.0
257.99948	0.7
258.76968	0.3
283.01346	0.6
299.00818	2.3
302.01947	0.3
304.83704	0.3
421.11728	0.5
451.05441	3.5
452.05991	0.4
463.08777	0.5
480.19675	1.0
481.10184	69.7
481.17633	3.1
482.10526	8.9
493.06506	0.8
523.11255	27.2
523.19250	2.1
524.11664	3.8
549.09070	1.2
550.17468	0.3
567.10193	12.0
567.18854	1.9
567.25421	0.9
568.10278	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	11.2
66.88726	0.6
71.01262	2.3
71.52242	0.7
73.02806	1.8
79.95608	7.9
79.96037	0.8
80.96387	3.3
85.02842	1.7
86.02323	0.6
87.00731	0.8
89.02337	0.7
95.95127	1.3
96.95887	100.0
101.02332	1.5
101.49110	0.6
103.00255	7.5
113.02292	0.7
128.03432	0.9
138.93947	0.5
138.96985	1.1
143.04448	1.0
150.96947	0.6
152.98553	1.8
156.92094	0.6
158.57062	0.5
164.98550	3.7
165.01630	0.5
180.98058	2.3
191.05521	1.3
241.00197	5.1
243.77071	0.5
256.99811	0.7
272.09070	0.6
306.07666	1.6
320.99164	0.6
463.12994	1.2
481.13834	67.8
482.14185	7.4
523.14886	39.6
524.15002	4.8
549.12976	1.2
567.13843	33.6
568.14276	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60033	0.5
55.71165	0.5
58.67994	0.5
59.01247	9.7
69.03331	0.8
71.01255	2.9
71.40350	0.5
73.02814	1.9
79.95168	0.9
79.95605	9.6
80.96400	2.5
85.02850	0.9
87.00730	0.5
89.02323	0.7
95.95112	4.3
96.95887	100.0
101.02336	3.0
103.00247	7.0
113.02322	0.7
122.97456	0.8
138.96973	2.5
150.96985	1.0
152.98532	1.8
161.04308	0.6
164.98550	2.5
180.98030	2.6
198.99048	0.9
203.01900	1.2
204.02112	0.5
210.95125	0.5
222.99251	0.5
225.00594	1.3
241.00215	10.2
256.99695	4.1
259.01361	1.6
276.47293	0.5
285.02939	1.1
299.00757	0.8
327.03766	0.7
375.12897	0.5
383.10239	0.8
453.14334	1.1
463.13287	0.7
481.13843	64.8
482.14154	6.9
523.14874	34.9
524.15131	4.5
549.13025	1.3
567.13849	23.7
568.14105	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17638	0.4
56.22425	0.3
57.03289	0.4
59.01253	10.2
69.81651	2.2
71.01241	1.6
73.02808	0.7
79.95602	7.7
80.96393	3.1
83.01241	0.4
85.02820	1.1
89.02363	0.5
95.95128	2.3
96.95888	100.0
97.95800	0.4
101.02319	2.2
103.00251	7.8
108.40121	0.3
113.02322	0.4
134.38736	0.4
138.96945	0.7
150.96957	0.9
152.98555	2.0
164.98546	4.5
177.01955	0.4
180.98004	2.3
222.99113	0.7
225.00584	0.5
241.00227	7.8
242.00487	0.5
256.99707	2.2
285.02838	1.0
461.18488	1.3
479.19531	64.9
480.19833	8.4
503.19391	0.4
521.20605	29.3
522.20972	4.6
547.18555	0.8
565.19556	27.4
566.19873	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
56.74686	0.4
57.03313	1.1
59.00951	0.7
59.01249	12.3
59.51302	0.3
69.53758	0.3
71.01250	3.8
71.11459	0.5
72.99191	0.9
75.00742	1.0
78.76018	0.3
79.95606	8.2
80.96400	2.2
82.66285	0.4
83.01254	0.4
85.02814	4.1
89.02311	0.9
94.73146	0.4
95.95123	2.5
96.95889	100.0
97.02822	1.7
97.95796	0.4
99.00774	1.1
101.02321	0.6
102.99546	0.4
103.00246	8.7
113.02360	0.6
113.31872	0.3
115.03898	1.0
120.95899	0.5
129.01813	2.1
138.96971	1.0
150.96970	0.9
152.98549	1.9
159.02850	0.5
164.98518	1.1
168.98033	1.3
176.98546	2.1
177.03987	5.6
194.99619	1.1
212.70659	0.4
213.00574	0.5
238.98624	3.7
241.00172	1.5
256.99704	29.0
258.00089	1.2
299.00781	3.8
342.99512	0.4
346.00055	0.4
395.13770	0.6
429.62128	0.4
461.18365	0.6
479.19540	58.5
480.19907	5.7
480.26544	0.3
521.20605	33.9
522.20886	6.1
547.18628	1.4
565.19556	34.5
566.19952	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56324	0.4
57.03326	0.5
59.01256	3.3
59.01523	0.6
60.99167	0.4
61.98696	2.0
67.01746	0.8
69.03327	2.3
69.30124	0.8
69.30521	3.9
71.01258	4.1
73.02814	1.5
73.29540	0.4
79.95612	1.8
80.96359	0.5
81.03332	1.3
83.01262	0.9
85.02822	5.1
87.00765	1.0
93.03336	3.3
94.03663	0.6
95.01261	2.7
96.95886	16.1
97.02820	1.1
98.95450	1.0
99.00777	0.9
101.02312	2.3
103.00257	1.7
108.02055	62.9
109.02846	48.2
110.03171	1.8
113.02335	1.5
121.02859	0.7
123.00777	1.8
133.02843	0.5
135.00754	0.6
135.04385	0.7
135.11713	0.7
151.03870	0.5
152.01056	67.4
153.01854	20.3
153.09140	1.0
154.02165	0.5
161.04497	0.5
163.03909	0.8
164.98528	0.5
165.01855	1.1
173.04445	0.8
179.10744	1.6
191.05502	3.8
192.05840	1.0
193.06041	0.5
241.00160	1.1
256.99634	0.7
267.16031	4.0
275.09216	0.5
315.07330	2.1
479.19757	11.7
480.19775	1.3
521.20490	5.4
522.21069	0.6
565.22949	100.0
566.23303	15.3
566.31763	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28865	1.3
59.01245	5.0
61.98699	4.3
69.48134	11.3
78.95777	69.9
79.22026	1.4
79.95639	1.4
95.07201	1.4
96.95893	8.2
96.96833	12.2
119.64751	1.4
128.54369	1.9
152.99492	100.0
153.99780	2.0
155.53943	1.3
171.00517	3.0
223.00061	11.7
241.01132	23.4
249.18561	42.5
250.18837	4.4
259.02252	2.9
315.04779	16.8
333.05994	2.3
347.43158	1.5
347.97900	1.7
479.20013	2.6
565.24225	78.7
566.24707	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23459	0.5
58.76266	0.5
59.01243	1.2
61.98694	1.0
62.91039	0.5
64.27648	0.5
69.03320	0.6
70.58714	0.7
70.59083	2.2
72.99172	1.6
75.00745	100.0
76.01107	1.4
78.95773	0.8
82.91484	0.5
87.00738	0.7
88.39449	0.5
93.03326	1.1
96.95846	0.7
173.87741	0.5
191.05511	4.0
197.11725	1.2
249.18655	0.8
262.60562	0.6
265.21741	1.4
329.13254	0.8
337.14307	0.6
447.18018	0.9
490.29391	1.6
563.26373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.5
57.03318	4.1
58.00474	1.3
59.01252	100.0
60.01587	1.2
60.99172	1.3
61.98716	0.6
67.01760	3.8
68.99694	0.4
69.03313	2.6
70.87307	0.4
70.87668	1.1
71.01255	38.9
71.04909	0.7
72.01603	0.9
72.99174	2.4
73.02822	9.7
74.03139	0.4
75.00769	0.4
79.95608	1.5
80.96397	0.7
81.03338	1.7
83.01258	4.3
83.04904	1.1
85.02824	27.3
85.14814	0.4
85.99976	1.1
86.03153	0.9
87.00755	8.9
87.01277	0.6
87.04379	0.4
89.02320	12.9
93.03339	24.6
93.05875	0.4
94.03688	0.9
95.01260	4.5
95.95135	0.6
96.95892	19.6
97.02828	2.0
99.00771	4.3
99.04415	0.9
101.02324	19.1
103.00253	1.6
109.02850	1.1
111.00770	1.6
111.04404	3.7
112.01566	0.8
113.02332	21.0
114.02658	0.9
115.03909	0.5
119.03406	5.5
121.02763	0.4
121.10135	3.0
124.01553	0.6
125.02343	2.3
125.09618	0.5
127.03902	2.4
127.11187	1.4
129.01823	1.3
131.03421	0.4
132.87228	0.4
135.04388	0.4
137.02335	0.6
141.01904	0.4
143.03444	2.6
146.03517	0.4
155.03442	0.9
155.10716	0.7
157.12254	0.9
159.02882	2.4
159.04176	0.6
161.04477	8.6
161.05823	0.6
164.98581	0.5
171.02991	0.5
171.10159	0.6
171.13791	1.1
172.05164	0.8
173.04469	11.9
174.03247	0.5
175.03862	0.6
175.07495	0.5
177.01888	0.6
177.09082	0.6
179.03375	0.5
179.05463	0.8
183.13811	1.2
184.85284	0.5
187.07559	0.4
187.13368	0.8
191.05542	94.8
192.05884	4.7
201.11371	0.4
201.14890	8.3
202.15266	0.9
204.07899	0.5
211.13345	0.4
214.06267	0.7
215.07164	0.8
225.09192	0.6
229.08556	0.6
230.09328	0.4
233.06546	2.4
239.06981	0.4
241.00168	0.8
253.09077	1.5
254.09485	0.7
255.13815	0.6
256.99670	1.2
265.12534	0.4
281.08307	0.6
281.15439	1.0
283.13321	1.8
295.06390	0.4
295.09665	0.6
299.25751	0.4
309.14941	3.2
311.12869	0.7
319.17392	0.6
327.16016	2.5
327.21802	2.6
329.13745	1.2
341.27087	2.0
345.19363	3.9
351.53467	0.4
353.13904	9.3
354.14346	1.1
359.27933	4.3
360.28397	0.6
363.20245	3.1
371.14960	9.6
372.15405	1.1
389.15833	0.6
394.12653	0.5
455.29922	0.6
467.29901	0.6
473.31161	0.9
477.18231	11.2
478.18573	1.9
485.30844	0.5
503.32266	82.9
504.32596	14.7
519.19318	5.0
520.19348	0.8
521.33313	20.3
522.33606	3.9
545.20337	5.6
546.20447	0.8
563.19678	8.7
563.34229	0.8
564.20691	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0477
Annotation	Udpgal
Peak:m/z	Relative Intensity
51.21268	0.6
62.30748	0.5
66.75926	0.6
71.18518	1.0
71.18873	0.7
78.95774	100.0
96.96838	37.3
111.01900	6.8
120.96864	1.1
138.97899	3.9
150.97929	2.2
158.92453	13.5
174.97920	0.9
192.98973	0.7
211.00092	3.9
217.62654	0.6
241.01208	8.3
272.95706	5.2
280.02304	1.6
305.01645	0.9
320.97824	3.2
323.02835	51.9
324.03076	3.4
384.98206	3.3
402.99570	1.3
425.27121	0.8
565.04663	16.7
566.05408	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60381	0.4
56.77631	0.3
57.03302	0.5
59.01249	14.1
60.59504	0.4
61.98684	0.8
69.03318	0.9
69.62418	0.4
70.40649	1.4
71.01252	3.0
72.99191	0.3
73.02800	1.1
79.95603	7.0
80.96395	2.4
83.01258	0.7
85.02822	2.4
87.00743	0.8
89.02312	0.8
93.03328	2.3
94.03677	0.5
95.01251	0.7
95.95116	1.2
96.95886	100.0
97.02825	0.9
98.95480	0.6
99.00754	1.0
101.02319	1.4
103.00250	9.4
113.02333	1.2
120.95953	0.6
122.97458	0.4
129.01840	0.8
135.04456	0.5
138.96953	1.3
141.01848	0.4
150.96930	0.7
152.98561	1.6
156.48380	0.3
164.98560	2.6
168.97998	0.7
173.04411	1.0
176.98518	0.6
177.03986	1.8
180.98071	1.7
187.07600	0.4
191.05498	4.0
192.05875	1.7
193.06006	1.2
194.99716	0.5
198.99200	0.4
222.99026	0.4
238.98648	1.8
241.00191	4.3
241.05135	0.5
256.99701	11.9
264.24774	0.4
275.09454	0.5
299.00873	1.7
373.40530	0.4
461.18710	1.2
479.19543	75.3
480.19931	10.9
505.33624	0.7
521.20703	39.8
522.20990	6.2
542.61957	0.5
547.19086	1.2
565.19568	42.4
566.19934	7.2
572.24915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.1
60.99173	1.1
61.98688	1.0
67.01746	2.6
69.03324	1.2
71.01243	3.1
71.40801	0.9
73.02810	0.9
79.95604	2.3
80.96378	0.7
81.03319	0.8
81.66942	0.5
85.02817	11.1
85.38946	0.5
87.00746	5.5
90.38126	0.4
93.03335	19.7
94.03680	0.6
95.95135	0.7
96.95887	28.7
97.02828	1.1
99.00755	0.6
99.04344	0.5
103.00243	2.2
108.02055	1.6
109.02831	2.7
111.00835	0.5
111.04420	3.3
113.02383	0.6
115.03882	0.5
121.02848	1.0
121.69257	0.4
124.01554	3.2
125.02344	1.6
127.03894	2.2
129.01833	0.9
132.02084	0.6
133.02826	1.5
134.03638	3.5
135.04411	43.6
136.04802	1.8
136.58598	0.5
137.02319	2.1
150.03117	1.9
151.03912	5.3
152.98489	0.5
160.01555	1.9
161.02357	2.0
162.02997	0.6
164.98544	0.7
171.03027	0.5
172.05157	0.7
173.04460	9.7
173.05798	0.5
174.03198	0.7
177.01917	0.7
177.03952	1.4
177.05444	0.7
179.03410	9.1
180.04135	2.0
187.07579	0.9
189.05521	0.6
191.05533	100.0
192.05881	3.6
200.04721	1.2
214.06331	0.7
215.07135	3.1
218.05826	0.5
228.04155	1.2
229.08521	0.6
233.06554	1.8
233.08237	1.9
241.00165	0.7
256.99686	6.9
283.13556	1.2
290.07861	1.0
299.00867	0.9
299.16418	0.5
307.08218	2.1
308.08984	7.9
309.09225	0.9
309.15039	2.1
325.14465	1.2
327.16068	6.7
328.16440	0.6
343.15555	2.1
345.17227	1.2
351.07092	0.9
352.08023	5.5
353.13925	3.2
371.14957	28.8
372.15454	4.2
423.12906	1.1
434.24387	0.5
477.18005	14.8
478.18292	2.1
519.19104	8.1
520.19482	1.1
545.20215	5.3
546.20703	1.3
563.19507	9.1
564.20148	1.2
570.82471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04648	0.3
56.50390	0.3
57.03318	0.4
59.01239	2.7
60.99179	1.1
61.98686	1.7
67.01777	2.2
69.03332	1.3
70.56559	0.8
71.01268	2.3
77.37562	0.3
79.95613	0.9
81.03333	0.8
83.04907	1.0
84.04322	0.3
85.02826	8.6
87.00748	4.5
93.03336	18.2
94.03677	0.5
96.95888	7.8
99.00745	0.4
103.00259	0.5
108.02081	1.4
109.02848	2.3
111.00742	0.4
111.04428	2.6
113.02351	0.4
120.14322	0.3
121.02841	1.0
124.01553	3.3
125.02345	1.8
126.03118	0.4
127.03899	1.8
129.01834	0.6
132.02045	0.9
133.02798	1.6
134.03627	2.9
135.04413	47.0
136.04698	2.0
137.02361	1.8
150.03128	2.1
151.03917	6.5
160.01570	2.5
161.02321	1.3
162.03128	0.5
167.03448	0.4
171.02904	0.7
172.05231	0.7
173.03078	0.7
173.04469	7.9
174.03139	0.9
177.01805	0.7
177.03967	0.5
178.02599	0.7
179.03416	10.4
180.04201	1.8
187.07628	0.5
191.05536	100.0
192.05878	3.8
194.02161	0.5
199.03978	0.6
200.04718	1.1
202.06075	0.4
214.06201	0.8
215.05324	0.6
215.07103	1.3
227.03413	0.6
228.04160	1.2
229.08617	0.5
233.06532	1.4
233.08220	1.3
256.99667	1.4
259.17245	0.3
260.56412	0.4
281.15518	0.5
283.13269	0.8
290.07925	0.8
299.16571	0.7
307.08185	2.0
308.09000	8.1
309.09354	0.6
309.14963	2.5
310.15018	0.4
323.07410	0.4
325.14386	1.0
327.15927	7.0
328.16278	0.7
343.15399	2.3
345.17078	1.2
351.07214	1.0
352.07971	5.9
353.08078	0.4
353.13910	3.9
354.14246	0.4
371.14969	33.1
372.15335	4.4
389.16144	0.6
423.12988	0.6
477.18069	4.9
478.18274	0.6
519.19012	3.4
520.19324	0.7
545.20288	3.2
546.20892	0.7
563.21387	7.3
564.21979	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59253	3.0
58.00462	5.6
59.01247	78.7
60.99167	11.9
69.59310	11.7
69.59734	9.1
71.01250	34.0
72.99180	87.6
73.02839	3.7
75.00745	16.1
85.02831	3.7
87.00751	7.2
89.02312	95.5
89.02840	6.9
94.95567	3.9
99.00740	3.7
101.02343	5.1
105.01807	4.2
113.02303	6.9
115.00267	23.5
117.01816	48.3
133.01326	100.0
134.01656	4.3
135.02892	8.7
145.01320	41.5
146.04504	3.3
147.02832	4.8
161.00803	13.4
162.18729	3.1
166.65041	3.9
179.05577	5.9
191.05537	6.0
221.02969	28.9
221.06580	9.0
281.01007	12.2
291.80096	3.8
316.39957	4.1
323.09668	4.6
329.29651	3.1
341.10986	7.8
343.79987	3.2
344.84375	3.1
397.24136	3.2
503.16122	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.5
56.43316	0.5
57.03332	0.9
57.62633	0.5
58.50532	0.4
59.01248	13.4
61.98703	6.7
67.01748	2.3
69.03326	1.2
71.01247	5.9
71.28362	0.5
72.99171	1.0
73.02813	1.0
75.00748	0.8
79.95611	4.9
80.96398	2.5
81.03346	0.8
83.01262	0.8
83.04942	0.6
85.02820	9.3
86.78166	0.4
87.00733	3.9
89.02312	1.4
93.03333	13.8
94.03677	0.5
95.95108	1.5
96.95889	100.0
97.02845	1.4
99.00755	1.6
101.02333	1.1
103.00251	9.7
108.02062	0.7
109.02832	1.9
111.00708	0.4
111.04415	2.4
111.07013	0.5
113.02333	1.1
115.03901	0.9
124.01531	1.4
125.02345	0.6
127.03896	1.7
129.01825	2.0
132.02068	0.6
133.02832	0.8
134.03633	2.0
135.04414	24.1
136.04832	0.9
137.02328	1.5
138.96954	1.3
150.03189	0.6
150.96947	0.9
151.03906	3.1
152.98508	2.0
159.02887	0.7
160.01509	0.9
161.02325	0.9
164.98497	0.7
168.98019	0.8
173.04507	5.1
173.05872	0.9
175.48053	0.4
176.98483	1.7
177.03984	4.6
179.03441	6.2
180.03957	0.5
180.98106	0.8
187.07483	0.8
189.05484	0.5
191.05540	55.5
192.05888	2.2
194.99579	0.8
200.04556	0.6
203.03645	0.6
210.98906	0.5
213.00552	0.5
214.06259	0.4
215.07048	1.4
233.06387	1.2
233.08458	0.8
238.98619	4.0
241.00143	1.8
256.99704	27.6
258.00018	1.0
274.08466	0.6
279.24768	0.5
299.00797	4.7
303.01126	0.5
307.08057	1.3
308.08960	2.9
309.14709	1.0
327.15897	3.2
343.15286	0.9
345.16791	0.6
351.07123	0.9
351.65820	0.5
352.07825	2.6
353.13757	2.1
371.10425	0.8
371.14941	15.5
371.19574	0.9
372.15237	1.5
423.12866	0.8
429.00992	0.6
477.17978	47.1
478.18292	6.7
519.19012	27.5
520.19055	3.2
545.20508	2.6
546.19690	0.5
563.17810	22.1
564.18262	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93047	0.4
57.03332	1.3
57.24122	0.5
59.00954	0.8
59.01250	14.8
60.99196	0.8
61.98705	12.4
67.01756	1.9
67.18011	0.4
69.03340	1.2
71.01248	5.1
71.11320	0.7
72.99177	0.6
73.02811	0.7
75.00742	0.8
79.95605	5.5
80.96396	2.0
81.03358	0.8
85.02818	9.7
87.00754	4.0
89.02341	1.0
93.03338	15.3
93.03925	0.8
94.03658	0.5
95.95108	1.9
96.95889	100.0
97.02844	1.7
99.00775	1.9
101.02326	1.2
103.00246	8.6
108.02042	1.2
109.02842	2.0
111.04398	2.1
113.02329	1.1
115.03862	1.0
121.02830	1.0
124.01544	1.8
125.02327	1.1
126.03096	0.8
127.03907	1.2
129.01857	2.8
133.02850	1.1
134.03609	2.0
135.04417	30.8
136.04758	1.1
137.02338	1.5
138.96964	1.2
150.03091	1.5
150.96927	0.6
151.03929	3.9
152.98518	1.4
155.03441	0.7
159.02885	1.2
160.01578	1.3
161.02338	1.3
164.98537	0.8
167.17633	0.4
168.98022	1.0
171.02950	0.7
173.04471	6.4
176.98564	2.1
177.03972	4.5
179.03415	7.5
180.03923	0.6
180.97963	0.7
187.07587	0.7
191.05540	69.4
192.05840	2.6
194.99588	1.2
200.04773	0.8
213.05464	0.6
215.07013	1.3
220.79463	0.5
228.04210	1.3
233.06261	0.9
233.08141	1.4
238.98613	3.8
241.00223	2.4
256.99704	30.5
257.99826	1.3
299.00793	4.1
301.14597	0.5
307.08234	1.5
308.08951	5.0
309.14926	1.2
325.14484	1.3
327.16058	3.8
342.99573	0.6
343.15125	1.2
347.16174	0.5
351.07260	0.8
352.08051	4.8
353.08170	0.5
353.13953	2.8
355.34485	0.5
371.10474	0.9
371.14996	17.2
372.15186	1.9
389.16000	0.7
423.12970	0.7
477.17987	52.4
478.18338	6.5
519.19043	27.0
519.25903	0.5
520.19403	3.9
545.20483	2.6
546.20221	1.0
554.33185	0.5
563.17853	21.7
564.17969	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05626	0.8
55.01764	2.2
57.03320	5.5
59.01254	14.0
61.98693	3.6
67.01736	1.2
68.99662	1.6
69.03329	18.8
70.03666	2.9
71.01254	25.3
72.99181	5.7
73.02811	4.0
75.00745	24.7
76.27822	1.0
83.01253	3.9
85.02820	32.0
87.00745	9.3
89.02316	3.5
95.01247	4.1
96.95894	8.2
97.02827	4.7
99.00750	15.3
101.02332	5.8
103.00259	2.0
111.00763	5.0
113.02329	28.6
115.00249	3.2
117.01794	2.1
129.01837	1.3
141.01820	1.6
146.43590	1.0
151.20129	1.0
161.04497	1.7
175.02396	3.8
185.00835	6.2
186.01204	2.3
187.01276	2.2
191.05527	5.3
291.50046	1.0
313.16223	1.0
314.72955	1.0
335.05981	2.7
473.23581	1.0
499.32880	1.0
521.31567	1.0
541.26105	1.4
559.27600	100.0
560.27942	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07181	0.1
61.25344	0.1
61.98699	0.2
64.79462	0.1
71.44927	0.2
71.45234	0.1
72.99174	1.7
75.00742	100.0
76.01076	1.2
78.95762	0.5
96.95879	0.4
112.85545	0.1
159.48717	0.1
196.03790	0.2
199.13254	0.4
249.18532	0.3
253.09189	0.2
265.18124	0.5
289.83725	0.1
365.26923	1.2
395.13739	0.2
562.31873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15981	2.0
56.46714	2.1
57.03315	2.7
59.01252	42.4
60.04214	2.3
61.98378	4.0
61.98703	80.3
64.81968	2.2
66.12858	1.8
66.91588	1.9
67.01777	2.8
69.03335	8.9
69.96791	5.2
69.97189	4.3
71.01254	16.3
72.33055	2.0
73.02838	1.9
78.95768	2.2
79.53647	2.0
79.95612	7.7
80.96423	3.1
84.25549	2.1
85.02826	13.6
87.00742	5.0
89.02328	14.7
93.03349	12.8
95.95107	4.3
96.95891	100.0
97.02840	3.6
97.06465	7.4
99.00764	4.7
101.02317	12.6
103.00256	8.8
113.02338	6.3
115.07569	3.4
117.57668	2.5
119.03381	4.5
121.10102	9.4
125.05984	5.8
129.01871	2.9
133.44139	2.1
141.01825	3.7
143.03484	2.7
143.07045	37.5
161.04506	6.0
171.10176	15.4
173.04477	8.6
179.03345	2.2
179.05539	3.0
191.05519	59.8
191.07138	4.5
192.05908	3.9
203.17949	4.0
209.11780	7.5
238.98785	2.2
241.00233	4.0
247.17010	45.1
248.17377	4.4
253.09265	50.8
254.09457	3.0
256.99710	15.1
265.18073	47.1
266.18442	5.0
341.10852	3.2
430.40823	2.3
475.16437	49.9
476.16666	6.4
517.17615	24.5
518.17975	6.1
543.18787	4.1
561.16168	23.5
562.16241	2.7
569.52795	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.8
61.98701	2.8
71.54077	0.8
78.95770	8.4
83.37791	0.6
93.03339	1.0
96.95892	1.3
140.01068	2.8
152.99454	1.4
165.12798	1.4
181.12238	1.4
191.05504	2.0
196.03642	1.8
199.13336	25.1
200.13589	1.1
214.04823	5.2
244.45132	0.8
279.19681	2.9
347.25888	5.2
363.25406	1.3
365.26944	100.0
366.27356	11.7
423.73032	0.6
562.31451	19.9
563.23334	0.9
563.31836	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.2
57.03570	0.4
59.00954	0.7
59.01250	13.8
61.98689	0.7
68.36473	0.4
69.03333	1.3
69.35260	3.4
71.01255	3.1
72.99181	0.6
73.02820	1.3
74.96462	0.4
76.39485	0.4
79.95604	7.8
80.96386	3.1
85.02822	1.9
87.00744	0.8
93.03323	0.9
95.95102	1.9
96.95889	100.0
97.02831	0.7
97.95811	0.5
98.19862	1.0
99.00768	1.1
99.04395	1.3
101.02312	2.3
103.00251	8.8
103.03894	6.7
113.02351	0.8
120.95909	0.7
122.97379	0.8
135.04414	10.8
138.97000	0.6
140.26259	0.4
150.97037	1.0
152.98529	1.7
155.10684	1.5
164.98546	4.8
173.04332	0.5
179.03481	4.2
180.98030	2.6
191.05504	2.6
199.09686	1.3
214.02657	0.9
222.99396	0.4
241.00095	7.1
242.02139	2.1
245.00958	0.7
256.99747	1.0
270.01624	2.1
271.02335	0.7
283.01303	0.5
298.01224	1.1
351.11050	0.8
369.12234	14.9
370.12488	1.2
385.11862	1.1
396.08560	1.4
397.09103	0.8
411.13193	3.8
455.15973	1.2
473.16968	76.1
474.17261	9.6
515.18011	38.3
516.18372	5.0
523.18073	2.1
524.19012	0.5
541.16064	1.2
559.16992	44.8
560.17133	6.5
581.92426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12568	0.2
59.01236	1.1
63.96113	0.9
67.01771	0.3
69.03323	0.9
71.01251	6.0
71.01622	0.5
71.53165	0.4
72.99177	0.3
73.02810	1.5
77.48422	0.2
78.98459	4.0
79.95605	9.7
80.52612	0.2
80.96389	56.1
81.03334	0.7
83.01276	0.3
85.02824	2.3
87.00751	2.0
93.03313	0.5
94.97960	13.1
95.01239	0.3
96.95895	2.4
97.02832	1.4
99.00768	0.5
101.02322	2.5
103.38367	0.2
106.97967	2.9
113.02357	0.5
122.97467	2.5
125.02333	2.2
127.03885	0.9
134.97484	3.9
136.99034	0.8
146.97525	0.2
148.99034	4.5
152.98521	4.5
164.98546	9.8
165.98843	0.3
167.00140	0.4
191.05551	1.1
203.01941	0.6
206.99602	1.5
209.11758	2.8
210.12073	0.3
225.00688	13.2
226.00980	0.5
299.04358	2.0
300.02753	0.2
315.05057	0.8
317.05362	0.4
327.81760	0.2
353.06442	0.3
418.03214	0.3
462.18317	0.3
479.09891	1.0
527.18140	2.6
528.18311	0.4
557.65222	0.3
559.20624	100.0
560.21002	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	5.5
59.01249	38.1
62.58228	1.6
63.02257	8.4
65.00182	9.5
69.03324	3.4
69.36966	7.0
69.37384	6.3
71.01252	16.9
72.99165	1.6
73.02800	6.4
79.95612	4.1
83.01256	11.6
84.86678	1.6
85.02809	7.5
87.00764	1.7
87.04396	2.8
89.02322	13.1
92.63573	1.6
93.03292	2.5
95.01249	2.8
95.04888	3.0
96.95882	43.1
97.02847	2.5
99.00723	1.9
101.02326	12.0
103.00241	4.3
105.03326	1.6
106.04120	3.6
107.01267	18.4
107.04900	14.0
108.02026	3.5
109.02837	2.7
113.02291	7.5
117.03353	2.3
119.03349	5.2
121.02818	2.3
123.04424	19.1
124.01531	6.0
125.02345	15.5
133.02841	19.1
137.02341	2.0
139.86516	1.7
143.03394	2.1
151.00276	67.5
151.03911	48.0
152.01057	15.0
152.04250	2.3
153.01851	8.9
159.04517	2.7
161.02295	2.1
161.04474	2.4
163.00322	2.1
169.01370	10.7
173.04544	1.6
173.05988	3.4
175.00246	2.7
175.03909	2.9
177.01840	2.3
178.99786	100.0
179.03279	2.7
179.90009	1.7
180.00264	3.2
187.07602	2.5
189.05516	2.3
190.02559	2.4
191.05539	8.1
193.04774	2.0
199.07558	2.5
200.04768	3.4
201.05360	2.0
201.12819	2.5
202.99722	2.1
208.61812	1.7
209.08113	4.0
215.07100	21.2
216.07465	1.8
217.08609	4.2
226.06161	1.7
227.07115	4.0
241.05139	1.6
243.06560	2.9
253.04982	3.9
254.05870	2.3
264.87869	1.7
267.06705	2.4
269.04672	11.6
271.02414	4.9
271.06027	8.7
281.04504	5.8
283.05942	2.6
293.04608	15.9
293.07660	2.1
294.05026	3.2
295.06097	9.3
299.01877	3.6
300.02728	11.4
302.15244	1.6
303.58929	1.6
309.04166	2.4
311.05469	3.5
321.04016	18.1
321.07382	3.1
322.04544	3.1
333.07553	4.5
351.08624	3.1
353.06592	26.7
354.06866	2.5
361.07190	3.9
363.88742	2.1
378.07339	2.0
379.08359	8.3
385.11615	5.6
395.07693	30.2
396.08014	4.0
397.09253	75.2
398.09644	9.7
425.18436	7.8
433.11230	3.4
473.16232	5.2
473.20459	8.7
515.18085	7.0
519.50299	2.1
559.14441	85.9
560.14526	11.7
563.89630	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	3.2
59.01252	8.9
61.98689	1.1
62.02688	1.0
63.02270	9.2
65.00195	10.6
69.03313	3.4
70.87350	1.9
71.01245	3.8
72.99183	1.0
73.02822	1.4
80.33134	0.9
83.01264	9.2
84.12749	1.0
85.02808	2.5
89.02293	1.6
93.03304	1.5
95.01246	2.7
96.95892	14.1
97.02814	1.7
98.95469	1.9
99.00753	1.4
101.02299	1.4
107.01268	21.1
109.02824	1.6
111.00774	1.3
123.04391	2.5
124.01561	7.1
125.02345	13.1
128.03369	2.6
133.02838	1.2
137.02310	1.7
151.00278	74.3
151.03857	3.5
152.01068	17.9
152.04211	1.4
153.01874	4.8
159.04373	1.9
169.01328	12.6
171.07809	1.4
173.04544	1.4
173.05984	3.4
175.03983	1.3
177.01833	2.8
178.99783	100.0
180.00111	5.7
181.01277	1.2
185.00888	1.0
187.03981	2.3
187.07550	2.7
189.05440	3.9
190.02541	1.4
191.05516	6.6
197.05893	1.3
199.07533	2.5
200.04692	2.6
201.05510	1.7
215.07095	27.3
216.07628	1.9
217.08548	3.4
225.05334	2.0
226.06297	1.1
227.07054	3.5
230.19261	1.0
232.03731	1.8
241.05000	3.1
242.02238	1.9
243.02977	1.2
243.06499	4.1
253.04990	3.6
255.02892	2.0
269.04562	2.7
270.01804	1.2
270.05307	1.1
271.02637	5.3
271.06158	9.5
281.04428	1.5
282.05286	1.1
293.04510	4.0
293.07803	2.1
294.05194	1.5
295.06049	2.3
299.01926	2.7
300.02704	9.8
309.03986	1.3
311.09116	1.3
321.03964	2.4
322.04752	2.4
325.07129	2.9
333.07651	3.5
343.19394	1.6
351.08539	1.1
353.06674	18.5
354.06958	2.8
361.07147	2.4
378.07272	1.9
379.08167	11.7
380.08395	1.9
395.07642	6.7
396.08243	3.8
397.09277	71.9
398.09512	9.6
425.17303	1.4
430.22943	1.3
433.11264	2.7
473.20343	4.7
515.20190	1.5
559.14453	73.9
559.32373	3.2
560.14716	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09178	0.1
59.01244	0.6
61.98701	100.0
62.98413	0.1
62.99128	0.1
69.03328	0.1
69.82253	0.4
69.82658	0.2
70.30657	0.1
78.95773	0.8
80.96243	0.1
84.36699	0.1
98.19878	0.1
98.73692	0.1
111.14372	0.1
152.99512	0.3
157.45155	0.1
168.04355	0.1
191.05600	0.2
194.97021	0.1
224.06963	0.1
240.61531	0.1
255.23251	2.0
256.23645	1.4
257.23825	0.7
258.24341	0.4
314.75034	0.1
377.16287	0.1
433.45859	0.1
480.30978	0.9
481.31586	0.4
482.31729	0.3
483.31744	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1457
Annotation	3'-Deoxymaysin
Peak:m/z	Relative Intensity
55.01735	1.3
57.02421	1.1
57.03318	3.5
58.00444	2.3
59.01252	50.5
63.02251	3.3
65.00201	2.4
66.07156	1.2
69.03335	6.7
69.46431	7.6
71.01250	15.0
72.99172	3.2
73.02833	5.5
79.95609	2.5
83.01263	4.1
85.02809	10.0
87.00739	2.4
89.02316	8.4
93.03324	5.4
94.03535	1.1
95.01202	1.9
96.95893	18.3
97.02814	2.9
98.20538	1.7
98.95497	1.7
99.00758	2.0
101.02321	9.1
103.00242	1.4
103.03892	3.6
107.01276	5.0
113.02316	4.6
116.92742	2.1
117.03355	9.7
119.03398	3.0
124.01534	2.2
125.02337	4.4
131.01277	1.9
133.02831	1.5
143.03482	1.1
150.99135	1.8
151.00279	20.7
151.03955	1.5
152.01028	4.4
159.04399	2.5
159.10219	1.8
161.02324	3.9
163.00237	3.3
169.01331	2.5
173.02304	2.7
173.04408	3.4
175.00328	7.2
175.01537	1.3
175.03831	1.3
178.99788	23.2
185.00815	4.7
187.03918	2.8
191.05536	18.9
197.06070	1.7
199.07492	1.4
201.01930	1.7
202.99802	7.9
203.01648	2.0
209.06036	1.3
215.07115	4.7
217.08717	2.1
227.03416	1.5
227.07007	2.0
237.05508	1.3
241.00488	1.1
241.05087	1.2
242.02119	2.0
253.05113	2.2
253.58018	1.3
264.04630	1.3
269.04587	32.3
270.01761	1.9
270.04868	2.5
271.06140	2.6
281.04562	21.3
282.05240	9.4
283.06100	8.6
293.04556	86.5
294.05005	10.4
295.02792	1.2
295.06085	24.3
296.06506	2.0
308.03238	2.6
309.03976	4.3
309.07568	2.4
310.04465	1.3
311.05634	22.1
314.04175	5.7
321.00330	2.3
321.04028	43.6
322.04523	7.2
323.05594	5.1
324.10248	1.4
333.07770	2.7
336.02356	1.3
339.05106	1.5
341.06543	1.9
349.07025	2.0
351.05115	3.5
351.08789	4.2
353.06659	5.5
377.06635	3.3
378.07236	1.4
379.08130	7.6
385.16595	2.3
395.07721	96.8
396.08109	14.1
397.09198	14.1
398.09555	1.9
457.11230	11.6
473.20596	7.4
499.29535	1.6
515.21735	1.5
517.29907	1.4
527.19049	1.3
559.14508	100.0
560.14948	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2028
Annotation	Lanceocrepidiaside E
Peak:m/z	Relative Intensity
53.57477	0.4
55.01752	1.5
57.03313	0.6
59.01241	2.0
64.02116	0.6
67.41910	0.5
69.03327	12.4
70.77661	1.1
70.78038	1.1
71.01250	9.6
73.02811	2.8
77.03826	0.6
79.01758	0.8
79.27887	0.5
83.01264	1.2
85.02797	3.9
87.00739	0.5
89.02317	1.1
91.01736	1.1
93.03316	3.4
95.01271	1.5
95.04891	6.7
96.95886	4.8
97.02827	3.5
99.00756	3.8
101.02300	4.7
105.03374	0.8
106.04115	5.6
107.04906	25.5
108.02046	3.4
108.05252	1.0
109.02831	0.8
113.02328	4.8
121.02844	6.3
121.06480	1.1
123.04407	43.6
124.04728	1.3
125.02370	0.5
132.02045	1.0
133.02846	39.2
134.03223	1.9
135.08029	0.9
138.03065	0.5
141.01837	1.8
145.06477	1.1
147.78786	0.6
149.02364	1.3
149.09602	1.2
151.03908	100.0
152.04291	4.0
159.02840	0.6
161.04454	4.3
161.09596	1.8
162.04791	0.6
173.05965	0.7
173.09686	0.8
175.03926	0.9
184.08875	1.0
185.00807	7.4
187.04005	0.8
187.07494	1.5
188.08447	0.5
189.12804	0.6
191.05513	0.7
193.05006	2.3
199.11255	6.3
200.11543	0.7
201.09193	0.7
202.10007	1.0
203.01883	2.4
215.10474	0.6
217.05046	1.4
217.12274	13.1
218.12721	1.0
243.10254	5.2
255.10205	0.6
255.13646	0.6
261.11307	10.8
262.11740	0.8
277.07196	0.8
283.13428	1.2
295.08246	1.9
327.15994	0.9
357.02264	0.6
371.14749	0.7
395.15021	0.7
471.18884	1.6
557.19806	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2043
Annotation	Lanceocrepidiaside E
Peak:m/z	Relative Intensity
55.01746	1.3
58.00451	0.8
59.01249	21.8
61.86128	0.5
61.97261	0.7
63.43746	0.6
69.03323	17.8
69.57693	1.2
69.58004	4.5
71.01254	19.0
72.99182	2.0
73.02831	3.0
75.00754	0.8
77.03833	0.7
79.01759	0.8
79.95606	2.7
80.96378	1.1
81.03305	0.7
83.01244	1.6
83.04891	0.6
85.02818	7.3
87.00745	2.6
89.02315	12.9
91.01788	1.2
93.03347	3.1
95.01266	4.0
95.04900	6.2
96.95888	35.7
97.02826	5.9
98.03141	0.8
98.19736	0.6
99.00760	5.9
101.02324	10.9
103.00266	3.7
105.03347	0.9
105.06957	1.0
106.04124	6.6
107.04909	27.5
108.02039	4.3
108.05250	1.4
109.02830	0.7
113.02323	14.4
115.91949	0.7
116.92756	2.7
119.03394	5.6
119.04874	1.0
121.02827	7.9
121.06453	1.0
123.00795	1.1
123.04403	34.6
124.04757	1.5
131.04834	0.7
132.02057	2.2
133.02847	29.9
134.03194	0.8
138.03114	1.8
141.01837	3.2
143.03392	1.3
143.08592	0.9
147.04407	0.8
147.08063	0.7
149.02301	0.7
149.09619	1.6
151.03909	100.0
152.04240	4.4
155.08600	0.9
159.08089	0.9
161.04495	4.9
161.05772	1.0
161.09622	0.8
163.03967	1.1
164.98564	0.7
165.05502	5.8
173.06067	0.8
175.03906	13.1
178.04718	0.6
179.05556	1.7
180.98134	0.8
181.10187	2.1
184.08804	1.2
185.00819	11.1
186.01282	0.6
187.07541	1.6
188.08148	0.7
191.05544	1.5
193.04979	14.3
199.11221	17.5
200.11505	1.5
202.09938	0.9
203.01802	3.8
205.04964	1.7
217.12303	10.0
218.12653	0.9
223.06087	1.7
225.09119	2.7
241.00208	1.7
243.10219	4.9
253.07127	1.1
255.84547	0.6
261.11304	5.6
262.11533	0.8
283.13361	1.8
309.03845	0.6
327.16052	1.6
359.36011	0.7
371.15094	1.8
391.86536	0.7
393.05768	1.1
423.16583	25.0
424.16977	3.6
471.19110	25.9
472.19479	4.1
513.20178	13.5
514.20276	1.8
544.16797	0.6
557.11981	0.9
557.19482	14.7
558.19434	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01723	0.6
57.03334	0.6
59.01244	2.2
59.95384	0.5
61.98684	0.6
63.02283	0.8
65.00179	0.7
66.26696	0.5
69.03323	2.2
71.01248	5.5
71.52882	0.8
71.53255	1.0
72.99205	0.8
73.02811	1.1
75.61021	0.5
79.95602	5.6
80.14867	0.5
80.96383	4.9
83.01260	1.2
85.02823	3.0
85.58430	0.6
87.00745	2.2
89.02335	1.2
95.01266	1.2
96.95888	100.0
97.02832	1.8
99.00762	1.0
101.02326	2.1
107.01276	1.5
113.02321	5.0
122.97475	1.4
138.96954	4.5
143.03372	0.8
148.01578	0.7
150.96971	2.2
151.00287	5.1
152.98491	4.4
164.01064	0.8
166.96475	1.3
169.01309	0.7
179.03342	0.9
180.98044	0.8
185.00821	1.3
191.05585	0.9
194.05711	1.0
199.03961	0.6
203.01813	1.5
209.08160	1.8
227.03297	0.9
230.99207	0.6
241.00211	71.3
242.00484	2.4
243.03015	5.9
244.03418	0.7
255.02898	5.7
256.03601	0.8
257.04477	1.1
270.01685	0.8
271.02502	10.6
272.03024	1.7
285.03992	1.3
287.05795	1.0
288.55569	0.7
299.02078	1.9
300.02722	21.4
301.03021	1.9
314.04431	6.6
315.05103	43.1
316.05411	4.2
327.16150	0.9
477.10391	8.3
478.10980	1.1
493.31897	0.7
557.06042	22.0
557.14539	0.9
558.06403	3.2
573.98602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32598	0.3
59.01260	0.6
61.98722	0.4
63.02271	2.4
65.00185	1.7
69.26952	2.9
71.83145	0.3
79.45570	0.3
83.01247	2.3
93.03350	0.3
96.95898	1.7
107.01270	5.9
124.01590	0.6
148.01567	0.9
149.99483	0.7
151.00269	18.4
152.00732	0.7
163.00191	0.4
164.01067	1.1
167.04964	0.3
167.36101	0.3
169.01323	3.9
191.05544	1.4
195.61435	0.4
196.00197	0.3
199.03990	0.9
212.29074	0.4
215.03522	0.6
227.03392	2.3
228.04228	0.7
243.02988	4.0
244.03661	0.7
255.02960	3.0
256.03540	1.2
259.06183	0.4
271.02481	6.2
272.03253	2.3
283.02664	0.4
284.03299	2.9
285.03882	0.7
287.05588	3.1
299.01944	11.4
299.05334	0.6
300.02725	24.5
301.03204	1.8
313.03415	1.4
314.04282	7.1
315.05084	100.0
316.05417	8.9
327.05017	0.9
345.69559	0.4
357.06155	2.6
477.10355	22.3
478.10510	2.9
557.05988	13.0
558.06311	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02262	0.4
68.19524	0.2
71.09443	0.5
79.95585	0.3
79.98129	0.2
83.01264	0.5
95.89122	0.2
96.95879	0.6
97.02769	0.2
102.06784	0.2
107.01266	1.1
108.02065	0.4
118.40347	0.2
124.01559	0.3
126.76501	0.2
148.01584	0.5
149.99516	0.4
151.00279	3.7
161.08202	0.2
163.00255	0.6
164.01135	1.0
184.05222	0.2
192.00409	0.2
199.03963	0.2
200.04796	0.3
201.01714	0.2
201.15134	0.2
211.03960	0.3
216.04160	0.4
227.03418	0.8
228.04164	0.6
241.00197	0.5
242.02190	0.3
243.02933	1.8
244.03714	0.5
255.02911	0.9
256.03763	0.3
257.04373	0.4
270.01590	0.3
271.02484	2.9
272.03314	0.9
273.04230	0.2
283.02402	0.6
285.04056	0.7
286.04684	0.3
296.03369	0.2
299.02036	0.6
299.05627	0.6
300.02737	32.4
301.03088	3.3
311.05716	0.5
313.03479	0.8
314.04315	1.7
315.05093	100.0
316.05411	9.7
327.05103	0.8
328.05771	0.2
329.06631	0.3
337.07233	0.5
339.04861	0.3
357.06229	3.0
358.06436	0.4
381.06192	0.4
399.06879	0.3
400.07053	0.2
462.08292	0.3
477.10358	26.1
478.10699	4.3
517.38110	0.2
557.06042	11.7
558.06085	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83619	0.7
55.01757	2.2
57.03328	0.6
59.01253	19.7
61.98692	1.7
67.01754	1.0
69.03327	100.0
70.03667	2.2
71.01254	9.3
71.53422	1.1
72.99184	6.2
73.02833	1.6
78.95779	1.2
79.01768	2.6
79.95609	3.7
80.96385	1.6
83.01283	1.0
83.23427	0.6
85.02843	3.8
87.00755	13.3
89.02320	1.5
93.03340	1.9
95.01254	5.6
96.95385	0.4
96.95895	26.4
97.02832	43.3
98.03139	1.7
98.95445	1.1
99.00760	22.6
101.02323	3.4
103.00255	2.4
111.00844	0.6
111.04385	0.7
113.02333	2.4
119.03400	0.9
123.00788	2.7
129.01840	0.9
132.75793	0.6
133.02870	0.7
134.03610	0.7
134.17613	0.6
135.04440	2.2
140.69879	0.6
141.01837	41.4
142.02168	1.2
152.99518	0.7
158.03712	0.6
159.04411	1.3
161.04437	0.9
164.98584	1.7
169.68938	0.6
171.04413	1.2
171.10242	0.8
172.05246	1.6
173.04497	0.9
173.05980	1.1
177.01842	0.7
179.03334	0.9
182.03680	1.2
183.04332	0.6
185.00845	53.0
186.01161	2.6
186.06795	4.8
187.07571	2.2
191.05548	6.9
198.68828	0.6
200.04675	1.5
200.08377	0.7
201.05536	1.9
201.09143	1.2
202.06346	0.8
203.01912	30.3
204.02222	1.1
211.07539	1.6
212.08223	0.8
214.06242	7.1
215.07050	4.1
217.48560	0.6
227.10696	1.0
229.08716	3.8
230.09406	1.3
231.10196	0.9
236.73340	0.7
241.00288	1.2
241.05043	0.7
250.09970	0.7
251.10805	2.4
254.09341	0.8
255.10324	1.1
255.13863	2.5
256.07419	0.7
265.12424	0.7
269.07809	0.6
274.08524	1.1
279.10284	2.2
280.11072	9.7
281.11664	1.0
281.15570	1.1
283.13409	2.4
298.12161	1.4
299.12912	0.8
309.14929	9.3
310.15323	0.9
311.12894	1.5
315.04962	0.8
324.09851	0.9
327.12247	1.2
327.16028	17.2
328.16382	1.7
329.23349	1.4
353.13831	6.3
371.14993	9.4
372.15009	0.7
381.09738	0.9
471.15363	2.7
471.19385	2.1
513.16144	8.7
514.16608	0.9
557.16077	8.2
557.29724	6.5
558.17511	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.284
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
54.71569	0.3
59.01247	0.7
63.96106	1.5
69.03333	0.8
71.01249	7.7
71.24405	0.6
72.01593	0.4
72.99160	0.6
73.02813	1.7
78.98460	5.8
79.95257	0.2
79.95601	12.4
80.96387	72.7
81.03328	1.0
81.96255	0.4
83.01269	0.6
85.02819	4.0
87.00751	3.5
91.03912	0.4
94.97955	17.4
95.01259	0.4
96.95890	0.5
97.02850	1.7
99.00768	0.3
101.02316	3.3
106.97953	3.5
111.14294	0.3
113.02315	0.7
122.97456	5.8
125.02330	3.0
127.03894	0.9
131.41110	0.3
134.97484	4.9
136.99037	1.7
138.96925	0.5
146.97479	0.4
148.99033	7.6
152.98526	8.1
152.99696	0.6
164.98540	13.3
167.00052	0.6
169.43372	0.3
182.99573	2.8
206.99612	3.6
225.00687	18.8
226.00986	1.1
243.01720	2.3
255.23241	3.8
299.04398	3.7
364.31015	0.4
555.28394	100.0
556.28784	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	23.3
65.94740	0.2
71.33399	0.5
78.95773	20.9
80.53446	0.2
96.96818	0.3
99.71164	0.2
122.98383	0.3
131.97678	0.2
135.33716	0.2
152.99504	2.9
154.98912	0.2
156.60454	0.2
162.24585	0.2
168.04218	3.2
194.05750	0.2
224.06883	8.2
225.07295	0.4
242.08017	1.4
255.23265	100.0
256.23615	9.6
347.14481	0.2
480.30942	59.0
481.31271	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	11.7
60.46363	0.5
66.81922	0.4
69.03327	2.8
69.25444	0.7
69.25838	3.8
71.01250	2.6
72.99170	1.0
73.02818	2.0
78.95767	4.2
79.95604	7.6
80.96385	2.4
83.01244	0.5
85.02821	1.6
89.02335	0.8
92.75850	0.4
95.95099	1.4
96.95889	100.0
97.02831	1.1
98.95467	1.8
99.00751	0.8
101.02332	1.7
103.00246	9.2
113.02278	1.0
114.93332	0.6
121.55273	0.4
122.97546	0.5
148.93454	0.4
150.96950	0.7
152.98439	1.0
152.99498	1.5
153.09059	0.4
161.02367	0.9
164.98537	3.6
171.10213	1.3
179.03419	5.5
180.98024	1.5
185.00836	0.9
191.05563	2.7
194.05779	4.1
197.33875	0.5
198.99130	0.5
203.01944	0.9
209.08119	8.5
210.08456	0.6
211.06013	1.0
211.13397	0.9
212.04903	0.5
229.14517	0.7
241.00208	5.9
256.99692	1.9
259.01282	0.6
283.01169	0.6
292.27142	0.4
327.00305	0.5
327.21710	2.2
328.22177	0.5
398.04556	0.6
413.14569	1.6
439.16364	1.0
451.16422	1.9
469.17480	66.7
470.17834	7.0
511.18634	31.7
512.18896	5.4
537.16565	0.7
555.17596	43.6
555.25873	5.1
556.17816	7.7
556.25983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27550	0.4
53.53014	0.4
58.98960	0.4
59.01252	12.1
68.56111	0.5
71.01246	1.5
71.39661	0.9
73.02805	1.1
76.96893	0.4
79.95612	5.9
80.96392	3.0
85.02821	1.1
89.02313	0.8
92.32718	0.4
95.95114	0.6
96.95885	94.5
98.95454	1.2
101.02337	1.9
103.00247	10.0
122.97454	0.7
138.96997	0.5
150.96935	0.5
152.98557	1.4
164.98532	3.7
166.12120	0.4
180.98065	2.2
200.62843	0.4
228.38762	0.4
241.00180	3.6
304.98410	0.4
337.62466	0.5
422.58069	0.4
449.14975	1.6
467.15875	100.0
468.16248	11.3
509.16925	58.5
510.17236	8.1
527.83624	0.5
535.14722	1.5
553.15900	63.2
554.16217	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	12.3
61.07846	0.3
63.28373	0.3
69.43702	1.3
69.44137	1.3
71.01250	1.7
73.02808	1.2
77.42454	0.4
79.95608	6.4
80.96386	3.0
83.01257	0.6
85.02815	0.8
87.00785	0.5
89.02318	0.8
95.95124	0.6
96.95887	100.0
97.95819	0.4
101.02329	1.7
103.00256	7.8
113.02334	0.7
120.95845	0.4
121.43353	0.3
122.97425	0.3
125.02314	0.3
131.26517	0.3
138.96960	0.6
150.96967	0.7
152.98523	1.2
164.98544	4.7
180.98045	2.0
204.76587	0.4
234.99866	0.3
241.00208	3.9
244.53114	0.4
449.14935	2.1
467.15894	87.6
468.16199	10.1
509.16922	35.0
510.17270	5.4
535.14954	1.0
553.15918	34.4
554.16248	4.8
572.53052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.16
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	13.3
63.58272	0.4
69.55610	0.6
69.56008	2.9
71.01253	1.9
73.02821	0.9
78.64467	0.5
79.95608	5.4
80.42523	0.5
80.96395	3.0
83.01185	0.5
85.02822	1.8
89.02332	1.0
96.95891	100.0
98.95478	1.4
101.02330	2.1
103.00254	10.6
113.02325	1.3
122.97485	0.6
138.96964	1.2
150.97006	1.0
152.98485	1.1
164.98572	4.8
166.15457	0.4
180.98071	2.2
191.05482	0.7
241.00238	4.7
256.99728	0.9
258.99628	0.5
329.78372	0.4
449.14926	2.6
467.15918	95.1
468.16272	12.1
509.16980	48.8
510.17325	7.2
535.14691	1.2
551.39246	0.6
553.15979	53.3
554.16321	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98945	0.7
59.01249	13.5
69.03326	1.2
69.20934	1.4
69.21342	6.8
71.01255	4.2
72.99183	2.3
73.02809	2.4
79.95604	7.8
80.96387	3.0
83.01252	1.1
85.02832	2.4
89.02323	2.6
95.95122	2.1
96.95888	100.0
97.02820	0.9
98.95483	6.2
98.96281	1.2
101.02328	2.2
103.00256	10.4
109.80714	0.8
113.02339	1.4
123.00809	0.8
138.96986	1.2
150.03113	1.7
150.97038	1.0
152.98517	1.7
155.10655	1.0
164.98552	3.9
165.05530	1.5
180.98027	2.6
191.05537	4.1
217.14592	0.9
241.00250	5.9
242.99863	1.5
256.99680	1.8
449.14761	1.2
466.14771	1.2
467.08603	19.4
467.15649	49.6
468.09225	1.4
468.15985	5.8
509.09595	12.8
509.16754	23.9
510.09732	1.5
510.16827	2.5
535.14838	1.4
553.08459	3.9
553.15833	23.0
553.32129	1.2
554.08270	1.1
554.16205	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60275	0.4
59.01252	14.9
61.98679	0.8
68.86708	0.4
69.03336	0.9
69.56205	0.5
70.92652	1.0
70.93028	0.8
71.01257	2.9
72.99168	0.9
73.02814	1.4
73.67185	0.4
79.80006	0.4
79.95603	7.5
80.96391	3.1
83.01246	0.7
85.02821	1.6
87.00739	0.5
89.02310	1.1
91.18095	0.4
95.95113	1.7
96.95888	100.0
98.95460	1.9
101.02338	2.4
103.00256	11.6
109.02911	0.5
113.02329	0.9
115.93066	0.5
122.06009	0.7
138.96910	1.1
150.97008	0.9
152.07062	0.9
152.98521	1.3
164.98541	4.9
165.28664	0.4
167.03358	0.5
180.98079	2.3
191.05516	1.4
241.00188	5.3
256.99585	2.4
259.01260	1.1
368.05820	0.5
407.13791	5.6
409.11856	0.7
449.14700	5.8
449.51761	0.5
450.15219	1.1
467.15909	78.6
468.16260	9.3
478.19672	0.5
491.16187	0.6
509.16962	44.8
510.17233	6.1
522.18591	0.8
535.14795	1.1
553.15894	63.4
554.16138	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01579	1.3
68.27664	0.3
70.83327	0.2
70.84865	0.4
70.85218	0.5
71.01257	0.3
74.80913	0.2
89.02348	0.2
111.30888	0.2
113.49964	0.2
114.81602	0.3
117.22976	0.2
122.39951	0.2
154.70171	0.2
192.07202	0.2
207.33183	0.3
249.18536	3.1
250.19141	0.4
358.82205	0.3
387.42737	0.3
392.05017	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	0.8
71.01224	0.2
71.53524	0.2
78.95772	6.5
120.61898	0.2
128.86952	0.2
151.49428	0.2
152.99474	0.9
164.17104	0.2
168.04222	1.3
208.01813	0.2
224.06842	0.9
242.07942	2.7
261.22232	0.4
279.23270	100.0
280.23611	10.4
467.27777	0.2
504.30951	30.3
505.31204	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.1
61.90828	0.2
61.98701	1.7
71.24707	0.6
78.95774	25.1
96.96857	0.3
112.98562	0.3
152.99474	3.3
168.04225	3.9
191.05502	0.4
224.06876	10.5
236.74448	0.3
242.07999	2.0
261.22229	0.5
279.23276	100.0
280.23611	10.6
280.26718	0.5
287.18936	0.3
494.95325	0.3
504.30942	66.3
505.31265	10.8
505.38919	0.4
545.26715	0.4
554.26886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49133	0.7
55.48667	0.5
58.52393	0.7
59.01249	12.8
61.98704	1.0
69.03313	1.8
69.21519	2.4
69.21939	4.2
71.01257	3.0
73.02813	1.1
78.95760	0.9
79.95612	9.8
80.96384	4.7
85.02825	2.2
89.02319	1.0
95.95103	3.0
96.95889	100.0
97.02866	0.8
98.19827	1.3
98.95538	0.9
99.00793	1.1
101.02335	2.5
103.00253	10.0
113.02350	1.1
133.02779	0.9
138.96925	0.9
139.07175	0.7
150.97017	1.0
152.99481	1.0
164.98547	4.0
179.03397	0.7
180.98036	2.4
191.05507	2.7
241.00212	5.0
256.99683	2.3
304.85086	0.6
407.10022	0.9
421.11313	0.7
423.13196	3.1
447.13220	1.3
465.14081	62.6
466.14401	7.7
507.15186	33.5
508.15341	4.0
533.12683	1.1
551.14117	33.9
552.14471	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.4
57.03315	0.5
59.01248	11.1
61.98707	0.9
67.01775	0.4
69.03330	1.9
71.01249	2.9
73.02806	2.1
78.95757	1.1
79.95607	8.0
80.96396	2.5
83.01246	0.7
85.02808	1.3
87.00759	1.3
89.02315	0.7
93.03326	2.4
95.95142	0.9
96.95885	100.0
97.02839	0.7
97.95795	0.7
98.64372	0.3
98.95440	0.5
99.00751	0.7
101.02316	2.7
103.00243	6.2
113.02320	1.1
115.91954	0.5
120.95871	0.4
134.03654	0.4
135.04399	0.9
137.02307	0.6
138.96965	1.7
141.01843	0.6
145.02844	0.5
147.23186	0.5
150.96964	1.2
152.98521	1.7
152.99593	0.5
164.98541	2.0
173.04442	0.9
177.01874	0.7
179.03403	1.9
180.98038	2.7
191.05511	4.5
194.05757	0.6
198.99065	1.6
209.08109	1.3
213.75113	0.4
241.00204	6.2
256.99619	0.8
259.01236	0.8
285.02994	0.5
351.83450	0.4
375.06229	0.4
447.13284	1.0
465.14236	57.6
466.14569	8.0
507.15308	28.4
507.83917	0.5
508.15668	4.0
533.13220	1.4
533.20264	0.6
551.14185	20.4
551.21729	2.5
552.14520	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50717	0.6
51.18130	0.7
52.18816	0.7
59.01249	14.5
69.89187	3.4
71.01252	3.3
73.02817	0.7
80.96382	2.4
85.02793	1.4
87.00761	1.3
89.02320	3.8
93.03362	3.5
96.92825	0.6
98.20476	0.8
101.02313	3.2
111.04355	1.0
113.02327	1.6
119.03309	0.8
151.72194	0.7
161.04494	0.8
173.04477	1.3
184.78470	0.6
191.05569	1.5
235.08113	2.1
253.09279	15.9
254.09679	0.7
255.23260	100.0
256.23605	8.8
550.75012	1.3
551.23987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07532	0.4
59.01239	1.5
61.98682	0.7
71.01270	0.7
78.95775	7.3
80.96362	0.6
87.61956	0.4
93.03350	0.4
103.96967	0.4
152.99478	1.3
162.17464	0.4
168.04208	1.6
191.05560	0.8
192.13882	0.5
224.06824	0.6
242.07986	3.7
275.20154	0.7
277.21707	100.0
278.22055	10.4
296.27780	0.5
326.61111	0.5
474.45343	0.5
502.29422	35.0
503.29724	5.7
552.25446	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42108	0.2
59.01241	1.6
60.76451	0.2
61.98702	100.0
66.75723	0.3
69.38043	1.1
69.38465	1.0
78.95786	1.4
79.09860	0.3
80.96397	0.8
115.92039	0.2
125.01283	0.3
168.04128	0.4
224.06888	0.5
225.00699	0.4
242.07944	1.8
253.21736	2.1
254.22025	1.6
255.22453	0.6
256.22696	0.4
323.39801	0.3
466.20624	0.3
478.29160	1.7
553.26886	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42027	0.2
55.01764	0.3
57.03310	0.3
59.01250	6.4
59.95774	0.2
61.98687	0.3
64.31054	0.2
69.03321	0.8
69.60073	0.6
69.60495	0.6
71.01258	1.1
71.78003	0.2
72.99180	0.2
73.02829	1.1
74.63857	0.2
76.60890	0.2
78.95791	0.3
79.95602	4.8
80.96390	1.9
83.01241	0.5
85.02830	0.9
87.00750	0.9
89.02355	0.2
93.03348	0.9
94.97953	0.4
95.01270	0.3
95.95120	0.7
96.95887	100.0
97.02819	0.5
97.95821	0.3
98.20572	0.2
98.95463	0.2
101.02318	1.1
103.00249	4.5
106.85658	0.2
109.02824	0.4
113.02310	0.6
115.91935	0.2
119.04913	9.4
122.97460	0.6
123.00767	0.5
134.97467	1.2
135.00783	0.3
135.04378	0.3
137.09547	0.3
138.96968	1.0
139.11145	0.4
143.03468	0.2
146.37248	0.2
148.93481	0.2
150.96989	0.5
152.98523	4.5
152.99664	0.4
153.01833	0.5
155.10675	2.5
156.11070	0.2
161.02325	0.3
163.00275	0.8
163.03926	5.5
164.01067	0.3
164.04202	0.3
164.98524	1.0
166.96584	0.2
173.04489	0.5
178.02641	1.6
179.03329	0.2
180.98079	1.4
181.12288	0.2
183.10188	0.7
186.41434	0.2
190.99763	2.2
191.05501	1.4
192.00566	20.1
193.00943	0.9
193.04974	3.7
194.05457	0.4
194.99597	0.5
199.09631	1.1
206.02141	0.5
207.02924	26.1
208.03307	1.5
208.07326	3.2
222.99077	0.5
223.09682	2.7
225.00684	0.3
225.11241	1.0
241.00194	29.1
242.00594	0.9
243.12372	0.8
256.99728	0.3
267.12497	0.2
283.01291	7.6
283.11765	0.3
284.01483	0.3
285.68936	0.2
316.98303	0.2
327.00244	0.7
327.14670	0.2
329.05569	0.2
329.10074	0.2
342.99863	0.2
343.13498	0.2
383.37589	0.3
387.16608	0.6
451.16156	1.0
465.10474	21.9
466.10843	2.9
466.16824	0.3
476.15237	0.2
507.11511	11.6
508.11877	1.4
533.09650	0.8
551.10742	5.3
551.18445	3.9
552.11102	1.0
552.16541	0.3
552.18561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51242	0.4
59.01253	9.2
71.01244	1.4
71.30424	0.5
71.30766	0.6
73.02821	1.0
74.02982	0.5
79.95605	4.3
80.96407	2.3
85.02820	0.6
89.02307	0.5
89.67552	0.4
90.74506	0.4
96.95889	65.2
97.73223	0.4
101.02319	1.8
103.00253	10.3
122.97447	0.5
138.96991	0.6
152.98508	0.8
164.98535	5.1
180.98090	2.2
205.12213	0.6
222.99100	0.5
241.00218	4.8
447.13376	1.7
465.14334	100.0
466.14691	11.9
507.15414	54.9
508.15778	6.6
533.13440	2.3
551.14410	53.7
552.14691	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.9
59.01250	11.8
67.83714	0.6
69.03310	0.9
69.39156	4.3
71.01244	3.7
72.99164	1.0
73.02814	2.7
75.00745	0.8
79.95603	5.0
80.96404	1.9
85.02819	2.8
89.02333	1.6
95.69743	0.6
95.95102	0.8
96.95887	100.0
97.02825	1.7
99.00744	0.9
101.02330	1.6
102.99670	0.9
103.00253	5.3
113.02338	1.1
115.03857	1.0
129.01814	2.5
138.96930	1.3
149.59949	0.8
152.98544	2.5
159.02888	1.1
164.98520	1.2
168.98102	0.6
176.98547	3.0
177.03964	5.9
180.98174	0.8
194.99628	1.0
203.56519	0.6
219.05045	0.8
238.98671	8.4
241.00211	2.6
256.99713	53.3
258.00052	1.8
299.00781	7.6
342.99823	1.5
465.14316	23.9
466.14767	2.6
507.15350	14.4
508.15860	2.3
515.81738	0.6
551.14465	15.4
552.14789	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
56.70233	0.3
57.03315	1.1
58.94241	0.3
59.01250	35.9
60.01585	2.8
61.01677	0.9
61.98711	0.3
64.06679	0.3
64.35653	0.3
67.01767	0.3
69.03330	0.8
71.01255	6.6
72.01595	0.3
72.99175	0.4
73.02814	3.4
78.95789	0.7
79.95607	7.7
80.96387	2.8
83.01260	1.8
85.02824	3.7
86.03135	0.4
87.00754	0.7
89.02331	1.3
93.03332	0.8
94.97961	0.3
95.01254	0.8
95.04913	0.3
95.95115	1.2
96.95888	100.0
97.02835	0.7
97.95815	0.5
98.20540	1.0
98.95459	0.3
99.00768	0.6
101.02319	4.8
103.00247	7.7
111.00785	0.3
113.02328	3.1
114.02679	0.6
114.80175	0.3
119.03433	0.5
122.97465	0.7
125.02331	0.5
134.97435	0.4
135.04366	0.4
138.96954	2.1
143.03406	1.1
150.96973	1.0
152.98447	1.6
152.99536	0.7
161.04498	1.0
162.04817	0.4
164.57080	0.3
164.98560	3.1
180.98013	3.4
181.04956	0.3
191.05536	1.7
198.99077	1.3
222.99094	0.4
241.00180	7.2
242.00531	0.3
256.99704	0.9
259.01315	1.4
267.16028	0.3
277.69714	0.3
283.01154	0.4
285.02878	0.8
345.30054	0.6
346.30441	1.0
447.13193	0.8
465.14291	71.9
466.14624	10.2
489.34286	1.1
490.34689	9.3
491.35071	4.3
492.35294	0.3
507.15378	34.5
508.15689	4.7
508.35568	4.8
509.36053	2.4
533.13196	1.6
533.20050	0.3
550.37012	0.5
551.14410	22.2
551.22095	2.1
552.14667	4.0
552.22247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.1
57.03322	1.5
58.00476	0.2
59.01250	100.0
60.01584	1.2
60.72985	0.2
61.98682	0.2
69.03334	0.8
71.01252	15.9
72.01598	0.4
72.99182	0.6
73.02815	4.1
74.38483	0.2
75.00735	0.3
78.95796	0.2
79.95600	0.4
82.99958	0.2
83.01255	2.7
84.02042	0.2
85.02821	9.9
86.03151	0.4
87.00749	1.2
89.02314	2.6
93.03339	0.8
95.01271	1.8
96.95885	3.5
97.02821	1.0
99.00752	2.3
101.02325	7.6
103.00262	0.3
106.07279	0.2
111.00765	0.5
112.01558	0.4
113.02328	8.6
115.03958	0.3
115.91989	0.5
116.92739	0.6
119.03404	0.8
124.01572	0.3
125.02344	1.0
127.11237	0.3
129.01814	0.4
131.03487	0.2
133.02826	0.2
135.33620	0.2
137.02356	0.4
142.02620	0.2
143.03401	2.1
159.02925	1.0
161.04472	3.7
171.13837	0.7
172.01610	0.2
173.04463	0.3
191.05522	1.3
231.00699	0.2
241.00282	0.9
283.01227	0.6
287.96973	0.2
299.25934	1.7
327.00305	0.4
327.28714	0.3
345.30057	4.1
346.30304	0.4
441.32230	0.5
459.33313	0.4
463.16837	0.9
489.34317	40.4
490.34644	7.4
505.17230	0.3
507.35364	20.6
508.35681	3.9
549.16083	0.3
549.36609	1.6
550.36737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63948	0.1
53.24338	0.1
59.01250	0.5
61.59595	0.1
61.98703	100.0
62.21815	0.1
62.53674	0.1
62.98388	0.3
69.38359	0.5
69.38786	0.9
71.01244	0.2
80.96393	0.2
96.95921	0.5
125.17802	0.2
149.34016	0.1
251.20137	0.7
252.20508	1.1
253.20856	0.6
254.21159	0.4
255.09709	0.2
280.69998	0.2
309.12955	0.2
464.20554	0.4
489.34235	0.2
551.25629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83934	0.6
58.92194	0.5
59.01236	0.9
60.36281	0.5
61.98701	100.0
67.97775	0.6
69.57759	0.5
71.53444	0.6
96.95905	0.8
103.31298	0.6
110.09570	0.6
122.60885	0.6
182.48094	0.6
278.39200	0.6
401.28143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41802	0.7
59.01248	7.3
61.98691	2.6
63.96107	1.0
69.03340	1.2
71.01250	10.4
73.02828	2.0
77.76363	0.7
78.95780	1.9
78.98451	7.0
79.95604	13.1
80.96390	78.6
83.01249	0.8
83.37579	0.7
85.02818	4.2
87.00746	3.9
89.87412	0.7
94.97961	18.4
96.95886	36.2
97.02833	1.9
98.95470	1.7
99.00766	1.3
101.02322	4.1
103.00269	4.3
106.97974	3.6
121.02836	2.2
122.97443	6.2
125.02373	3.5
134.20882	0.8
134.97461	5.8
136.99005	1.1
138.96921	0.7
148.99075	5.4
152.98515	8.7
152.99515	1.9
164.98532	13.7
176.24712	0.8
179.86287	0.9
182.99654	3.3
191.68904	0.7
206.99640	2.7
225.00671	18.1
241.00137	1.7
243.01695	1.9
249.18593	1.4
295.19168	1.5
299.04492	2.1
348.57590	0.8
363.12115	0.9
444.73230	0.9
445.19235	1.2
463.20035	33.4
464.20105	3.8
505.21036	15.6
506.21393	2.7
549.24109	100.0
550.24579	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24151	0.2
57.32479	0.2
59.01244	1.5
64.47571	0.2
77.03831	1.8
79.95599	0.8
80.96389	0.2
86.48652	0.2
93.03343	0.4
96.95890	9.2
98.95469	0.4
103.00257	1.3
121.02848	100.0
122.03172	3.8
131.39529	0.3
138.96986	0.4
145.79977	0.2
147.04395	0.2
152.98459	0.3
153.70667	0.2
165.01848	56.3
166.02177	2.8
169.54886	0.2
180.05696	0.6
180.98000	0.3
181.06523	2.5
182.06818	0.3
197.06000	2.4
198.06386	0.4
199.07610	0.3
201.26602	0.2
207.04474	0.8
207.08075	0.3
223.03952	0.3
225.05527	1.8
229.58751	0.2
241.00159	0.7
251.07167	0.3
257.09784	0.8
313.07175	1.3
329.08691	0.2
357.06290	0.9
373.10654	0.3
383.07837	0.4
416.83432	0.2
417.09732	1.9
439.87006	0.2
463.20059	9.3
464.20172	1.0
470.60205	0.2
505.11581	1.6
505.21146	4.4
506.11700	0.4
506.21646	0.3
549.10541	27.2
549.19916	5.4
550.10846	5.4
550.20386	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2013
Annotation	Asterriquinone SU 5503
Peak:m/z	Relative Intensity
55.37610	0.4
57.03283	0.4
59.01250	9.1
69.03348	0.5
71.01256	4.1
71.04300	0.4
72.01578	0.4
72.99188	0.6
73.02813	0.8
73.07046	0.5
78.95773	0.6
79.95606	28.4
80.96396	7.8
81.32793	0.4
83.01255	0.6
83.04926	0.4
85.02816	1.3
87.00754	1.4
95.95107	4.5
96.29667	0.5
96.95888	100.0
99.00742	0.6
101.02353	1.9
103.00257	0.6
111.00783	0.5
113.02332	1.0
122.97454	1.4
125.02331	1.0
127.96892	0.4
137.96182	2.4
138.96960	7.5
143.03436	0.7
150.96925	2.3
166.96458	1.3
222.99060	1.5
239.47273	0.5
241.00200	7.8
280.99796	0.6
283.01273	11.3
284.01801	1.0
299.00812	1.2
301.02441	0.8
445.18967	1.4
449.15115	0.6
463.20090	19.8
464.20151	2.0
466.93512	0.4
470.46347	0.4
505.21136	81.0
506.21384	13.6
549.20117	39.6
549.28931	0.9
550.20575	6.7
563.70929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2013
Annotation	Asterriquinone SU 5503
Peak:m/z	Relative Intensity
59.01251	14.2
60.36576	0.5
61.52628	0.5
65.00341	0.5
70.86150	0.6
70.86497	1.3
71.01247	2.1
73.02814	0.7
79.95605	7.2
80.96407	2.5
85.02818	1.5
88.14114	0.7
95.95076	0.8
96.95889	100.0
98.95473	1.0
98.96320	0.6
101.02319	1.7
103.00261	9.4
113.02278	0.9
138.96991	4.2
150.96950	0.8
152.98567	1.8
164.98532	2.2
180.98096	2.9
198.99162	2.7
241.00241	6.6
256.99585	0.7
259.01282	1.4
267.65717	0.5
445.18878	1.8
463.20056	95.3
464.20352	11.0
505.21127	40.6
506.21454	4.9
520.60669	0.5
531.19012	1.4
549.20087	59.2
550.20532	7.3
571.48328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56055	0.5
55.01776	1.0
57.03321	0.9
58.00472	0.8
59.01252	12.5
61.98698	0.6
69.03328	1.8
69.54552	3.2
71.01254	13.2
72.99171	0.9
73.02821	14.2
75.00747	0.8
79.95599	1.1
83.01262	1.4
84.02045	0.5
85.02822	5.1
87.00745	5.0
87.04376	3.2
89.02316	6.5
93.03350	1.1
95.01276	1.1
95.04897	0.6
96.95888	4.4
97.02811	2.4
99.00760	0.7
101.02321	12.0
109.06464	1.8
111.04388	0.8
111.08040	2.1
113.02337	3.9
115.91941	0.5
119.03383	1.0
125.02339	1.4
125.05949	0.6
125.09535	0.6
133.02840	0.8
135.04457	0.8
137.09633	0.8
139.36244	0.4
141.01848	0.6
143.03424	1.0
155.06992	0.5
161.04433	1.3
161.09598	0.5
161.13235	0.7
163.11197	11.2
165.09061	0.5
173.04488	0.7
175.03807	0.4
177.12828	0.7
179.05531	0.8
181.12260	100.0
182.12596	6.6
191.05571	1.9
193.12169	0.5
195.13870	3.9
203.01836	0.6
205.12338	1.0
207.10202	3.8
223.13339	4.4
224.13739	0.8
225.11270	37.3
226.11638	2.6
235.13304	0.9
239.12848	3.3
267.12363	22.4
268.12769	2.1
286.64850	0.5
297.13443	12.5
298.13635	1.0
306.07657	0.8
311.05606	3.9
312.05753	0.6
327.14478	43.0
328.14706	3.9
357.14926	0.5
369.15338	1.4
387.16595	45.7
388.16898	4.9
463.12888	1.4
473.10782	2.2
505.13983	1.1
549.21814	41.7
549.29187	4.8
550.22107	7.7
550.29553	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08058	0.1
55.01762	0.3
57.03326	0.3
58.00444	0.2
59.01250	22.9
60.01583	0.8
60.99171	0.2
61.98692	1.0
69.03339	0.9
69.32542	0.4
69.32964	1.2
70.07076	0.2
71.01250	3.5
71.04883	0.8
71.20695	0.2
72.01579	0.2
72.99161	0.3
73.02814	1.2
74.47236	0.1
79.95598	3.2
79.96017	0.2
80.95939	0.3
80.96371	1.5
83.01260	0.6
85.02813	2.0
85.03230	0.2
86.03142	0.2
87.00739	0.9
88.98679	0.8
89.02297	0.4
93.03338	0.7
94.97948	0.4
95.01261	0.4
96.95885	100.0
97.02823	0.5
97.95850	0.5
99.00751	0.6
99.67204	0.2
101.02324	2.2
103.00237	3.8
103.00883	0.3
113.02323	2.2
114.02686	0.3
115.91961	1.4
116.91952	0.3
116.92751	0.4
119.03368	0.2
121.02842	0.4
122.97459	0.6
125.02379	0.3
133.02884	0.2
134.03676	0.3
134.97481	2.0
135.04411	0.9
135.93410	0.2
138.96013	0.2
138.96945	1.1
141.01796	0.2
143.03363	0.3
149.09627	0.3
149.71144	0.2
150.96960	0.3
152.98531	5.6
161.02301	0.3
161.04449	0.9
164.98596	0.3
166.96434	0.4
173.04521	0.3
177.01857	0.3
178.02217	0.2
179.03386	0.7
180.98012	1.1
191.05560	2.2
194.99631	0.9
197.73775	0.2
216.96002	0.2
217.96844	0.2
221.08116	1.0
222.99107	1.0
241.00195	53.4
242.00536	2.0
261.95724	0.5
283.01279	31.7
284.01584	1.5
301.03729	0.3
308.99362	0.9
327.00247	19.2
328.00583	1.3
344.28708	0.2
345.30060	0.5
371.99457	0.4
390.00253	0.7
407.00314	0.2
441.13077	0.2
463.09113	5.0
463.16296	1.3
464.09433	0.6
468.85303	0.2
487.07693	0.2
487.32385	0.3
488.33023	2.2
489.34213	3.1
505.10379	3.8
505.17413	0.6
506.10220	0.3
506.34122	1.4
507.35272	1.4
530.91388	0.2
531.07935	0.4
549.09229	6.0
549.17261	0.7
550.09821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	22.7
61.98703	100.0
67.01780	1.1
67.59927	0.9
69.03310	2.1
69.21935	9.8
71.01257	5.4
73.02821	5.4
78.95753	1.0
83.01267	2.1
85.02816	2.7
87.00743	1.9
89.02323	2.4
93.03342	8.0
94.03642	0.9
96.95888	11.3
97.02808	1.0
97.06452	1.0
98.19874	2.2
101.02325	6.4
111.04404	1.3
112.71148	0.9
113.02329	2.7
119.03378	1.3
133.02815	1.7
143.03293	1.1
149.04439	0.9
159.04344	1.3
161.04454	2.2
173.04449	3.0
183.10211	1.0
191.05554	13.2
192.05838	2.6
193.06000	2.4
200.04713	1.0
215.07079	2.4
250.11418	0.9
255.10150	0.9
297.05838	0.8
328.15405	0.9
351.07428	1.1
463.16312	2.8
467.22443	0.9
505.17847	2.1
548.24127	1.0
549.18939	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.6
61.98701	100.0
62.98413	0.3
64.80302	0.2
69.82362	1.2
96.95903	0.8
132.33426	0.2
147.10889	0.2
249.18579	0.4
250.19012	1.0
251.19226	0.3
261.85022	0.3
272.91061	0.3
350.43567	0.2
463.20477	0.5
505.21298	0.3
549.20630	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.6
61.98702	100.0
69.39620	1.3
69.40028	0.3
72.76177	0.2
75.13257	0.1
80.96393	1.0
94.97977	0.3
96.95911	0.6
97.15190	0.1
116.83220	0.1
119.61015	0.2
164.98618	0.2
249.18646	0.7
250.18961	1.7
251.19263	0.8
252.19603	0.2
255.10034	0.2
297.30576	0.2
462.19067	0.2
548.19110	0.2
549.23828	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60635	0.3
51.61536	0.3
55.01753	0.4
57.03307	0.5
59.01251	38.8
59.94772	0.3
60.01591	0.4
61.98708	5.1
65.01416	0.3
67.48756	0.3
69.03322	1.9
70.67207	0.9
71.01253	7.1
71.04921	0.3
71.77988	0.3
72.99174	0.9
73.02822	2.2
78.95776	0.7
79.95596	3.7
80.96394	1.3
83.01256	1.2
85.02823	4.1
87.00753	1.3
89.02304	1.0
93.03341	2.0
95.01275	0.9
96.95889	100.0
97.02793	0.8
97.95831	0.3
98.02338	0.5
99.00748	1.2
99.92463	0.5
101.02331	3.8
102.02629	0.4
103.00253	3.9
109.02770	0.5
111.00674	0.4
112.63523	0.3
113.02338	4.2
115.91949	1.3
119.03399	0.3
121.02885	0.6
122.97447	0.5
125.02362	0.6
133.02937	0.4
134.03648	0.6
134.97487	1.5
135.04413	6.9
136.04755	0.3
137.02390	0.5
138.96956	1.0
143.03398	0.7
149.09613	0.5
150.96962	0.9
152.98537	4.8
161.02339	0.6
161.04456	1.4
177.09067	0.4
179.03419	6.4
180.98015	0.7
191.05537	4.4
192.05823	0.4
194.99582	0.7
203.58191	0.4
215.06944	0.3
221.08125	1.1
222.99101	0.9
229.08611	0.3
241.00204	53.3
242.00606	2.2
256.99924	0.3
261.76315	0.3
261.95703	0.5
263.56491	0.3
283.01288	30.5
284.01666	1.9
299.25687	0.5
308.99252	1.0
323.16132	0.7
327.00259	21.0
328.00528	1.2
345.30157	1.7
357.04935	0.3
369.15796	0.3
371.99207	0.8
385.55157	0.3
459.33429	0.3
459.59653	0.3
463.09158	4.3
463.16403	3.2
464.09756	0.4
464.16516	0.5
489.34326	12.3
505.10284	4.3
505.17377	1.1
506.10880	0.6
507.35367	6.8
549.09222	5.7
549.17560	1.1
550.09589	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51637	0.2
55.01764	1.0
57.03329	1.8
58.00478	0.4
59.01250	100.0
60.01577	1.0
61.98704	0.3
66.06540	0.2
67.01733	0.4
68.99721	0.3
69.03327	0.5
69.22305	2.3
70.41395	0.2
71.01254	17.4
72.01567	0.3
72.99187	0.5
73.02817	4.6
75.00733	0.4
79.63660	0.2
81.03342	0.2
83.01252	3.3
85.02823	9.9
85.99942	0.5
86.03178	0.4
87.00757	1.6
89.02315	3.6
93.03344	0.9
95.01270	2.5
95.99827	0.2
96.95863	1.3
97.02845	0.8
99.00752	1.9
101.02323	9.7
111.00770	1.0
113.02332	10.5
115.03870	0.2
119.03414	0.8
124.01591	0.3
125.02329	1.0
129.01825	0.3
135.04427	0.7
141.01878	0.4
143.03424	1.4
159.02882	1.1
161.04457	6.7
162.04764	0.4
168.85371	0.2
171.13815	1.4
173.04408	0.5
177.01837	1.5
179.03419	0.5
179.05568	0.3
191.05530	3.1
192.05888	0.6
193.05986	0.5
213.18523	0.3
218.66072	0.2
258.08087	0.3
286.03354	0.2
315.18182	1.2
325.27386	0.6
333.19113	1.7
334.19284	0.3
343.28589	2.7
345.45102	0.2
352.52924	0.2
449.39001	0.2
451.30997	0.4
457.32022	0.4
469.31601	0.6
487.32758	27.9
488.33133	5.1
505.33789	17.9
506.34244	3.1
547.18994	0.3
547.35254	0.4
569.33838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.1
57.03329	1.6
59.01252	100.0
60.01595	1.5
60.70111	0.4
60.99188	0.5
61.13449	0.4
61.98702	6.9
67.01776	1.4
69.03326	2.1
71.01254	16.0
71.53968	0.6
72.99196	1.5
73.02821	3.8
79.95628	1.4
81.03354	0.5
83.01258	2.8
83.04952	0.4
85.02825	11.8
85.32603	0.3
85.99992	0.7
86.03175	1.0
87.00762	3.2
89.02306	3.0
93.03333	10.1
94.03663	2.0
95.01279	2.3
96.95887	8.0
97.02849	1.8
97.06448	0.6
99.00761	3.4
101.02321	9.7
109.02839	0.6
111.00782	1.0
111.04430	1.5
113.02335	9.1
115.00240	0.5
115.03951	0.4
116.88408	0.3
119.03425	1.1
121.10138	1.8
123.04303	0.4
125.02338	0.9
127.03935	1.1
135.04439	0.6
143.03442	1.8
143.86055	0.4
155.10741	0.4
157.12358	0.5
159.02936	1.2
159.04288	0.7
161.04465	6.8
173.04486	3.8
173.05811	0.6
174.04842	1.1
175.04932	0.4
177.01859	2.8
184.82466	0.4
185.00900	0.6
185.15463	1.3
186.06776	0.7
187.07423	0.5
188.04192	0.5
191.05540	23.3
192.05899	6.8
193.05991	5.7
199.09721	0.6
202.02713	2.6
205.03586	0.5
209.77957	0.4
214.06387	0.5
215.07216	1.2
216.07388	1.0
217.07961	0.4
241.00272	0.7
256.07245	2.2
256.99875	0.5
257.07797	1.0
258.08047	1.6
315.18222	0.8
325.27731	0.6
343.28522	2.7
344.29242	0.5
347.20679	0.5
355.14670	0.8
449.14798	0.5
461.14371	0.6
467.10028	1.7
469.32019	0.5
487.32773	28.5
488.33157	4.3
503.19330	0.6
505.33841	12.3
506.34192	2.3
547.21484	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.4
60.83329	0.2
61.98695	0.2
69.03322	0.5
69.22418	0.7
69.22833	1.7
71.01261	0.6
73.02808	0.3
74.82201	0.2
79.95605	1.3
85.02823	0.5
87.00732	0.4
87.04403	0.3
93.03336	0.9
96.95887	6.7
97.02823	0.4
97.12101	0.2
101.02302	0.4
103.00241	0.6
109.97973	0.2
110.74152	0.2
111.04395	0.3
113.02303	0.2
114.38078	0.2
115.91958	0.3
116.04953	3.9
118.21484	0.2
125.13406	0.2
128.42700	0.3
132.04449	0.4
137.09645	0.4
142.16231	0.2
155.10696	1.5
159.03110	0.6
160.03946	100.0
161.04288	5.2
173.04535	0.5
174.01915	0.3
177.01801	0.2
191.05566	2.0
192.05925	0.3
199.09673	1.8
199.33994	0.2
204.02946	9.8
205.03285	0.8
234.12032	0.2
241.10808	0.7
256.99670	0.5
270.35501	0.2
283.11893	1.3
337.80475	0.2
342.99774	0.3
343.13992	0.6
399.10022	0.2
450.14648	0.3
463.12860	1.2
504.18967	1.0
505.14084	0.9
505.26166	0.4
529.94250	0.3
548.17749	18.4
549.18427	3.7
549.27472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.0
55.02108	0.4
57.03322	1.2
58.00487	0.6
59.01251	100.0
60.01588	4.8
61.98702	82.2
62.14597	0.3
64.82375	0.4
69.03318	1.0
71.01256	14.3
72.01587	1.5
72.99203	0.4
73.02818	4.6
74.03162	0.3
78.95787	0.4
81.03263	0.4
83.01253	2.7
84.01518	0.5
85.02347	0.6
85.02827	8.1
85.99948	0.4
86.03153	1.0
87.00739	1.1
89.01923	0.3
89.02321	3.7
93.03310	0.9
95.01245	1.4
96.95898	3.6
97.02802	0.8
99.00735	2.1
101.01704	0.5
101.02325	9.1
102.02627	1.2
103.00211	0.4
106.44230	0.3
111.00737	0.9
113.02330	8.8
114.02633	1.5
115.91919	0.8
119.03368	0.8
121.10057	1.0
124.01502	0.5
125.02261	0.7
135.04434	2.9
143.03345	1.4
159.02797	1.2
160.42647	0.4
161.04460	5.1
162.04700	1.1
179.03409	2.0
179.05563	0.4
181.85696	0.4
191.05550	3.7
192.05759	0.8
199.91293	0.3
205.03087	0.4
222.17781	0.4
241.00037	0.4
247.45094	0.4
261.95328	0.4
329.19345	0.6
330.19226	0.4
343.28217	0.9
344.28342	1.2
347.20261	1.1
348.20621	1.0
399.23190	1.0
460.90515	0.4
487.32758	6.2
488.33115	18.9
489.32364	1.8
505.33923	4.7
506.34186	11.4
507.33658	1.0
545.66132	0.4
548.34106	0.7
549.16589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82422	0.2
52.53218	0.2
52.59592	0.2
56.83306	0.2
57.03321	0.7
59.01255	3.0
60.99163	1.4
61.42804	0.3
61.98703	1.1
65.03830	0.3
67.01762	4.3
69.03316	1.4
69.87585	1.1
71.01254	2.2
73.02821	0.7
73.51877	0.2
81.03311	1.2
83.04913	0.9
85.02822	9.2
86.03153	0.2
87.00748	9.7
88.48834	0.2
93.03333	31.4
94.03667	0.8
95.01227	0.3
98.20500	0.3
99.00773	0.7
99.04432	0.6
109.02850	0.9
111.04404	4.3
112.04730	0.3
113.02345	1.1
127.03903	2.0
129.01830	0.9
136.01549	0.5
137.02350	1.2
138.64923	0.3
148.10713	0.3
153.01849	0.3
154.02574	0.8
155.03387	1.0
155.04787	0.4
157.05042	0.3
157.06444	0.3
158.07303	1.2
159.04451	0.9
171.02989	1.3
171.04282	0.3
172.05220	0.8
173.04482	13.8
173.05891	0.9
174.04851	0.7
174.06697	0.4
177.01909	0.4
183.04335	0.8
185.06079	0.6
186.06825	2.4
187.03929	0.3
187.07567	2.2
189.04008	0.5
189.09149	0.7
191.05537	100.0
192.05865	4.9
199.03876	1.0
200.04732	1.0
200.08336	0.3
201.05522	1.0
201.09180	0.8
211.07494	0.7
212.08353	0.9
213.05524	0.3
213.09123	0.4
214.06306	1.9
215.07077	14.0
216.07446	1.1
227.03409	1.3
227.06995	0.4
228.07861	1.1
229.08731	1.2
230.09183	0.4
231.10211	0.8
233.06590	3.2
253.09085	0.3
255.06639	1.5
256.07382	8.7
257.07843	1.1
309.20624	0.5
353.14005	1.0
371.14969	0.3
405.11664	0.4
545.20245	8.8
546.20850	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1852
Annotation	Kurramine 2'beta-N-oxide
Peak:m/z	Relative Intensity
51.88054	0.4
51.98818	0.5
52.70887	0.6
59.01252	13.4
61.27474	0.5
69.62074	1.0
69.62479	3.0
71.01250	2.2
73.02806	1.1
78.53496	0.4
79.95606	6.3
80.96414	3.5
85.02838	1.7
86.34258	0.5
91.95512	0.5
95.95113	1.5
96.95889	100.0
99.00721	0.7
101.02312	2.5
103.00250	9.5
113.02327	0.9
122.97525	0.6
129.01802	0.7
134.97508	0.5
138.96957	1.8
150.96893	0.9
152.98531	1.4
164.98540	3.4
177.03946	0.8
180.97998	2.0
191.05545	0.6
198.99149	1.0
238.98660	0.8
241.00237	4.5
249.18597	1.5
256.99710	5.9
299.00677	0.9
310.29221	0.5
443.17346	1.3
461.18500	87.4
462.18808	12.7
503.19556	42.0
504.19846	6.5
529.17578	2.1
547.18530	43.5
548.18982	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40381	0.5
59.01251	15.3
61.98700	0.8
71.01247	2.7
73.02841	0.8
80.96381	0.5
81.24654	0.5
84.01971	0.5
85.02827	0.8
89.02310	2.2
93.03350	0.6
93.50909	0.6
96.95888	0.7
98.20609	1.7
101.02324	3.3
101.44666	0.5
112.86842	0.5
113.02320	0.6
119.03384	0.7
161.04440	1.7
200.46365	0.6
229.86635	0.7
233.19118	0.8
235.08167	1.7
251.20135	100.0
252.20471	9.9
253.09248	12.5
254.09674	0.6
388.18683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91409	0.4
59.01253	13.4
69.26627	0.4
71.01237	1.0
71.11131	0.8
71.11460	0.7
79.95606	6.8
80.96381	2.4
85.02834	1.3
87.04391	5.9
95.95100	1.1
96.95888	98.9
97.02878	0.4
97.95863	0.6
101.02318	1.9
103.00252	12.2
138.96954	0.8
150.96941	1.0
152.98526	1.1
164.98538	4.6
180.98042	2.3
191.05554	1.2
222.99315	0.5
241.00224	5.7
242.63559	0.5
245.38934	0.5
256.99667	0.5
279.94943	0.6
289.18079	0.9
307.19144	0.5
351.11005	1.9
369.12207	39.7
370.12396	2.9
376.90552	0.5
411.13318	9.7
412.13681	1.2
439.16473	1.3
457.17453	100.0
458.17819	11.1
499.18527	49.4
499.26166	1.0
500.18863	7.0
525.16675	2.2
543.17511	46.2
544.17853	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36069	0.4
57.03317	0.6
59.01251	4.3
60.99167	1.0
61.98700	1.3
67.01756	3.6
69.03310	2.2
71.01246	1.6
71.24632	0.4
71.24953	0.5
73.02809	0.4
74.19586	0.3
79.95657	0.6
80.96413	0.4
81.03339	1.3
83.04908	0.9
85.02821	11.3
87.00748	7.6
87.04413	0.8
89.04157	0.3
93.03333	21.8
94.03640	0.5
96.00465	0.3
96.95884	4.7
97.02814	0.6
98.95470	4.0
99.00736	0.6
99.04389	0.8
103.00261	0.7
109.02834	1.8
111.04408	3.1
125.26226	0.3
127.03915	2.1
129.01814	1.1
132.26366	0.3
136.01593	2.1
137.02332	3.5
143.03407	0.6
146.86263	0.3
153.01881	0.9
154.02600	2.2
155.03429	0.5
155.72003	0.4
156.55447	0.3
159.04416	1.5
161.07687	0.4
171.02933	2.8
171.04318	0.6
172.05190	1.2
173.04501	10.0
173.05975	2.1
174.03191	0.4
174.04662	0.4
174.06712	0.6
183.04399	0.4
185.06006	0.6
186.06778	1.8
187.04001	0.7
187.07567	4.3
188.04720	0.5
189.03967	1.8
189.05495	0.4
189.09106	2.5
191.05536	100.0
192.05870	4.0
199.07510	0.5
200.04726	3.4
201.05501	1.6
201.09102	1.0
202.06445	0.9
203.10764	0.5
211.07663	0.6
212.08359	0.6
213.09106	1.1
214.06288	2.1
215.07077	47.9
216.07411	4.2
227.07219	0.5
228.07771	0.5
229.08653	1.8
230.09254	0.7
231.06503	1.2
231.10164	1.7
232.03740	0.7
232.05865	0.4
233.06488	2.4
241.05141	0.4
255.06503	1.9
256.07388	2.2
257.07874	0.4
264.04843	0.5
274.08502	0.6
353.13925	1.0
371.11835	1.9
404.14819	0.4
405.11691	1.3
419.13425	1.1
432.29648	0.4
458.17966	0.4
459.17523	6.0
501.18567	2.5
545.19928	5.5
546.20282	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20781	0.2
57.03322	0.3
59.01247	3.0
63.44848	0.2
67.01765	0.7
69.03322	0.8
69.25562	0.5
69.25967	1.5
70.55095	0.2
70.80062	0.2
71.01260	1.6
73.02819	0.5
81.03327	0.4
83.04897	0.5
85.02822	11.5
86.03194	0.2
87.00745	2.6
88.98660	0.2
89.04196	0.2
93.03337	6.0
95.01261	0.5
96.95889	1.0
99.04385	0.6
109.02856	1.0
111.04400	1.4
113.02281	0.3
127.03904	2.1
135.04427	0.3
137.02309	0.4
141.70090	0.2
171.02931	0.9
173.04489	2.8
173.05873	0.4
177.01787	0.3
183.04419	0.6
191.05534	100.0
192.05887	4.4
197.06007	0.4
198.03252	0.3
199.03789	0.4
203.07066	0.3
211.03912	1.3
211.07532	0.3
224.04875	0.4
225.05455	1.1
226.02629	0.7
226.06215	0.3
227.03435	1.0
229.08690	0.3
233.06563	0.3
239.03448	0.3
239.07094	0.6
251.10744	0.8
252.07956	0.9
253.05060	0.9
253.08661	2.0
255.06520	0.3
255.13799	1.7
265.08752	0.4
267.06653	0.4
267.10236	1.0
268.10980	0.7
281.04584	0.6
281.08231	1.2
281.11642	0.4
281.15509	1.0
283.13339	1.3
295.09662	1.3
296.10483	0.8
309.14911	2.1
311.13025	0.3
324.10031	1.6
325.10950	0.3
325.14404	1.1
327.15906	0.5
335.12891	0.7
353.13922	21.2
354.14255	3.1
371.14890	1.5
400.40369	0.3
406.45749	0.3
459.18689	0.3
545.20227	2.2
546.20416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.4
55.22045	0.4
59.01255	15.0
61.98714	2.0
69.03327	1.0
71.01262	0.7
71.52642	0.6
73.02837	0.6
79.95610	6.5
80.96410	3.1
84.34127	0.4
85.02821	1.3
87.00765	0.6
87.04397	8.5
88.25510	0.5
88.45605	0.4
93.03338	0.7
95.95100	2.0
96.95891	100.0
97.02825	0.5
99.00751	0.5
101.02347	1.2
103.00250	10.1
104.00574	0.4
105.65445	0.4
113.02307	0.6
118.47622	0.4
122.97443	0.7
138.96964	0.6
141.01865	0.4
150.96931	1.0
152.98529	0.9
164.98546	3.9
180.98053	3.2
191.05540	3.9
225.00800	0.7
241.00191	5.4
289.31891	0.4
307.19214	0.5
351.11160	1.9
369.12219	38.0
370.12601	3.3
411.13348	8.8
412.13422	0.8
439.16296	0.9
457.17450	89.0
458.17780	10.1
460.82095	0.5
499.18524	46.0
500.18958	6.6
513.26379	0.4
525.16388	1.8
543.17535	41.4
544.17761	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	0.4
59.01249	11.7
69.03348	0.6
69.36024	2.9
69.36436	0.6
71.01240	2.0
73.02813	0.7
79.95603	6.9
80.96385	2.9
83.01244	0.5
83.82171	0.4
85.02832	1.2
87.04383	3.8
91.70167	0.4
93.03309	0.5
94.97992	0.5
95.95118	2.3
96.95888	100.0
99.00743	0.5
101.02328	1.6
103.00245	8.1
103.00893	0.7
104.81623	0.4
120.95924	0.5
122.97494	0.6
138.96992	1.2
150.97008	0.7
152.98466	2.1
161.04388	0.5
163.74898	0.4
164.98564	3.6
180.98061	2.4
191.05585	2.3
225.00687	1.0
240.76521	0.4
241.00188	6.5
299.61011	0.4
348.03650	0.4
351.11185	0.5
369.12216	6.1
388.19128	0.4
411.13217	1.3
439.16263	1.5
457.17432	78.3
458.17767	8.9
486.03314	0.4
499.18527	38.0
500.18872	5.4
512.26276	0.4
525.16437	1.0
543.17511	36.7
544.17865	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.7
60.99178	15.8
61.98711	0.6
69.03320	2.8
71.01250	1.0
72.99171	3.1
75.00751	1.3
77.34671	0.5
78.98455	0.6
79.95609	3.0
80.96380	6.1
81.03323	1.0
82.55371	0.5
83.04884	1.6
85.02834	0.7
87.00745	2.1
88.00276	6.4
88.98677	100.0
89.02316	16.0
89.99020	1.2
90.01850	1.7
93.03321	2.6
94.97955	1.6
96.95886	10.0
97.02820	1.0
98.95487	0.8
99.00755	0.9
100.40588	0.6
101.02301	1.0
103.00250	0.9
121.02818	2.4
122.03601	0.8
125.02370	0.6
126.03038	0.5
133.02850	2.0
135.04422	1.1
137.02313	0.9
138.39157	0.5
139.03922	1.3
148.98965	0.7
149.02354	2.5
152.98518	0.6
153.01924	0.8
155.89093	0.5
164.98541	2.0
177.01863	0.7
179.03459	0.9
185.00838	1.9
191.05542	2.0
193.01349	1.7
197.11723	0.9
203.01930	2.6
206.42062	0.5
225.00664	2.1
225.15971	1.1
315.04968	1.2
379.02881	1.0
447.29584	0.7
449.31384	3.3
451.33105	1.2
455.11420	1.0
455.16708	1.0
465.30527	2.3
471.70972	0.6
481.33731	1.5
541.16156	9.7
542.16156	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.045
Annotation	Quercetin 3-(3''-sulfatoglucoside)
Peak:m/z	Relative Intensity
55.61355	0.4
57.83643	0.4
59.01241	1.0
61.98704	1.0
63.02259	1.7
65.00194	3.0
69.03314	0.4
70.68241	1.0
70.68575	0.4
71.01238	0.5
79.95626	0.5
83.01237	2.1
85.02819	0.5
93.03367	0.6
96.95887	1.3
105.30080	0.4
107.01265	8.8
107.90914	0.5
109.02837	0.6
111.44912	0.4
121.02841	7.7
125.02296	0.5
149.02361	1.1
151.00276	35.8
152.00627	1.6
155.96446	0.4
162.48305	0.4
163.00328	0.5
163.03836	0.5
164.01022	0.4
169.01357	2.4
175.03882	0.5
178.99791	18.5
180.00165	0.9
191.05504	0.6
193.01357	1.0
203.01741	0.6
229.04933	0.8
241.00403	0.4
243.02966	0.6
245.04506	0.9
248.26646	0.5
255.02966	1.2
257.04578	0.5
271.02551	1.9
273.04041	1.3
300.02689	3.7
301.03516	100.0
302.03897	8.7
309.27090	0.5
380.99222	1.4
463.08817	16.9
464.09155	1.7
543.04462	19.2
544.04572	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2081
Annotation	Crepiside B
Peak:m/z	Relative Intensity
50.54712	0.4
55.01771	0.6
57.03316	1.1
58.00472	0.7
59.01253	14.6
61.98714	0.6
65.03821	0.4
66.92052	0.4
69.03334	2.1
70.50235	1.4
71.01252	17.8
71.04890	1.6
72.99174	0.8
73.02815	3.3
73.45296	0.4
75.00766	1.3
75.99272	0.4
77.03843	1.1
78.95773	0.8
79.95599	3.7
81.03320	0.5
83.01260	1.4
85.02821	8.9
87.00768	0.8
89.02313	6.4
91.01785	1.4
91.05424	0.5
93.03337	4.7
94.03683	0.5
95.01252	2.7
95.04902	13.1
95.95107	0.7
96.95885	12.8
97.02834	1.4
97.06461	0.4
99.00744	1.9
101.02322	7.5
103.00249	1.0
105.03353	2.4
106.04123	6.8
107.04906	29.7
108.02048	6.1
108.05246	0.7
109.02863	0.5
111.04424	1.5
113.02332	14.7
117.03374	0.4
119.03397	1.5
119.04947	1.3
121.02844	8.0
123.04409	81.7
124.04723	2.8
125.02365	0.6
128.03447	1.3
131.04890	0.7
132.02086	2.8
133.02852	89.1
134.03177	4.3
135.04424	0.7
135.08127	0.9
138.03101	1.4
141.01906	0.6
143.03401	1.0
145.10115	1.1
146.24593	0.4
147.04431	1.6
149.02379	2.1
151.03912	100.0
152.04237	4.0
159.02911	0.6
161.04475	5.5
161.05952	1.4
163.03940	0.7
165.05504	5.8
171.07700	0.5
175.03918	16.6
176.04268	0.7
179.05617	0.5
183.11722	24.5
184.12062	2.2
185.00784	1.0
187.07614	0.7
191.05571	1.6
193.04999	17.6
194.05289	0.5
197.09608	0.5
201.12779	6.5
203.01970	1.9
205.05025	2.1
217.05124	0.5
223.06059	3.0
227.10747	5.4
229.12262	1.1
235.06111	0.7
241.00182	0.9
245.11838	3.8
249.05522	0.7
253.07118	0.7
253.09393	0.5
287.16785	0.6
295.08127	0.7
305.17563	0.7
310.83353	0.4
322.61261	0.4
353.45166	0.5
389.15997	1.1
401.34067	0.4
407.17117	6.2
408.17508	0.7
455.20093	3.6
497.17496	1.2
541.20477	3.8
541.29999	1.5
542.20313	0.6
542.81946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67347	0.4
55.01757	1.2
57.03322	1.3
58.00457	0.8
59.01249	11.3
61.98700	0.5
69.03323	2.2
71.01250	7.9
71.53701	0.5
72.99165	0.9
73.02818	4.5
79.95631	0.8
81.03302	0.6
83.01276	0.5
85.02818	3.6
87.00791	0.6
87.04388	5.6
89.02303	3.6
93.03334	1.4
94.91691	0.4
95.01266	0.8
95.04935	0.5
96.95892	9.0
97.02826	1.2
98.95467	1.1
99.00757	1.1
99.04402	0.5
101.02323	4.3
103.00243	0.7
109.02743	0.5
109.06457	0.9
113.02325	2.7
119.03410	1.3
121.02830	1.1
123.04412	0.6
124.54803	0.4
125.02347	0.7
127.07542	0.4
134.03650	2.3
135.04456	3.5
135.08044	4.7
137.02367	0.6
137.09624	20.6
137.88501	0.5
138.09961	1.0
139.11200	0.6
149.02321	1.7
149.06020	1.3
150.03128	1.2
151.03931	0.5
151.11168	0.6
155.10689	94.4
156.11023	5.3
161.04477	0.6
164.04706	6.0
165.05470	4.3
167.10730	0.5
169.12271	3.3
173.04520	1.0
177.09166	0.6
179.03416	0.6
179.07045	3.0
181.08633	4.6
182.05783	1.0
185.00810	1.6
191.05540	4.6
195.10155	2.7
197.08133	0.7
197.11885	0.6
199.09695	29.8
200.10091	1.9
203.01880	0.7
212.53783	0.4
213.11258	7.1
213.64116	0.4
227.12889	3.0
241.00269	0.5
241.10767	7.6
255.12364	2.0
271.11624	0.5
278.66922	0.4
301.13022	1.7
324.58887	0.5
327.10822	2.5
329.07462	0.4
345.11893	1.6
379.17523	0.5
455.10483	0.8
455.16006	3.6
497.16919	1.6
509.20181	0.8
537.47467	0.4
541.22900	100.0
542.23267	16.3
542.31488	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.259
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02846	1.1
59.01248	6.0
61.98701	1.2
69.03329	4.0
71.01251	3.0
71.53523	0.5
72.74875	0.3
73.02804	1.0
74.02344	1.5
78.95792	0.5
79.95600	4.5
80.96391	0.5
82.02838	2.4
84.04419	2.1
85.02834	1.0
86.02347	13.8
87.00726	0.5
88.03925	1.1
89.02338	1.0
93.03338	0.6
95.95122	1.1
96.95885	18.6
97.02835	1.5
98.95486	0.3
99.00747	1.0
101.02324	1.4
102.98472	1.8
103.00277	1.2
109.02812	0.5
109.07617	1.1
113.02346	0.7
115.86851	0.3
117.06993	1.3
120.01144	17.2
121.02856	0.4
123.07972	0.7
125.09647	0.5
127.05032	2.1
127.08672	11.0
128.03424	100.0
129.03772	2.4
133.02869	0.7
135.04402	1.2
135.08002	0.4
141.01875	0.4
145.35660	0.3
150.96968	0.5
153.06590	5.8
158.27588	0.4
159.04538	0.4
165.12762	1.1
171.07666	31.5
172.07990	0.9
173.74117	0.4
179.04526	0.8
185.00810	0.7
187.07620	1.0
191.05598	2.1
197.05617	1.0
203.01897	3.0
208.98631	0.3
213.03313	1.1
215.06728	5.7
220.00430	0.4
231.04402	10.0
241.00209	1.2
247.20757	0.5
249.05475	48.9
249.46014	0.4
250.05695	2.6
253.09419	0.6
256.99808	0.8
284.02966	0.4
285.91428	0.3
287.16391	1.8
291.19678	4.5
292.20230	0.5
299.00757	0.5
305.17569	1.9
306.09259	0.4
327.21765	0.4
342.99704	1.8
412.21713	0.9
455.20016	4.5
456.19839	0.5
497.16748	0.7
497.20737	0.7
523.24829	2.0
541.18744	0.9
541.26825	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09503	0.7
55.01754	3.5
59.01249	5.0
61.98708	1.4
69.03326	100.0
69.36379	5.9
70.03682	2.6
71.01267	1.8
72.99191	2.5
73.02809	1.6
79.01765	1.6
79.95612	1.2
80.96416	1.1
85.02834	2.1
86.61846	0.7
93.03323	1.5
95.01283	3.0
96.95885	13.9
97.02832	21.1
98.03178	0.8
98.20566	1.5
98.95480	7.8
98.96307	1.4
99.00759	28.3
101.02307	0.7
101.90244	0.6
103.00237	1.5
108.02034	0.7
109.02835	6.7
113.02354	1.8
123.00813	0.9
123.04435	0.7
129.64604	0.7
133.02902	0.9
134.03641	6.2
135.04413	7.0
137.02382	0.8
137.05995	0.8
141.01826	8.6
149.05957	1.3
153.01828	7.3
155.10646	0.7
161.02318	1.1
178.02638	1.2
179.03394	1.1
181.05066	1.1
185.00847	69.6
186.01193	3.3
191.05542	1.4
193.05037	4.3
203.01857	3.3
213.07729	0.8
241.00151	0.8
379.06708	47.8
380.07040	4.4
387.16855	1.0
453.17023	1.1
454.17178	2.1
455.17212	8.4
455.77249	0.7
496.18628	0.7
497.18890	4.4
515.39862	0.7
529.10779	0.9
540.17438	1.1
541.18408	6.1
542.18066	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78631	0.3
59.01249	15.3
61.98691	0.9
69.03326	1.0
70.93616	0.6
71.01250	2.4
72.99180	0.7
73.02819	0.6
79.95607	4.9
80.96400	2.9
85.02814	2.0
87.00773	0.5
93.03342	1.0
93.32242	0.4
96.95888	100.0
97.02798	0.5
97.95833	0.4
98.95471	1.3
99.00744	0.8
101.02316	2.5
103.00246	9.0
113.02332	0.8
120.95920	0.5
122.97501	0.5
135.04404	0.5
138.96980	0.4
149.04527	0.3
150.96884	0.4
152.98546	1.0
164.98546	3.7
173.04469	0.6
180.97981	1.9
185.00816	0.5
191.05527	2.1
203.01793	0.7
241.00195	3.3
419.36389	0.4
437.14825	1.7
455.15909	83.3
456.16260	9.6
497.16953	29.8
498.17343	3.5
523.14978	1.1
541.15869	22.9
542.16150	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.18
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.5
57.76878	0.4
58.46037	0.4
59.00952	0.8
59.01254	16.6
61.98700	0.5
69.03329	1.0
69.43472	1.9
69.43903	1.2
71.01250	3.4
73.02822	0.9
79.95612	7.4
80.96380	2.1
83.01276	0.5
85.02833	3.1
87.00765	0.9
89.02323	1.2
93.03343	1.5
94.97993	0.4
95.87878	0.4
95.95107	2.1
96.95889	100.0
97.02815	0.6
98.95493	1.0
99.00750	0.7
100.96187	0.4
101.02332	2.2
103.00246	9.2
113.02313	0.9
115.02139	0.5
120.95891	0.4
133.02882	0.5
138.96962	0.6
143.03485	0.6
150.97029	0.5
152.98521	1.8
164.98524	4.2
173.04524	0.8
177.01886	0.5
177.03882	0.6
180.98080	2.4
191.05528	10.4
192.05902	0.7
209.11723	0.5
215.05402	0.5
225.00629	0.9
241.00279	5.7
256.99701	4.2
281.04523	0.5
299.00885	0.5
336.02774	1.2
391.04251	0.4
399.14920	0.6
404.00281	0.5
435.16861	1.7
436.17404	0.6
453.18002	96.5
454.18359	12.5
495.19095	44.7
496.19467	6.9
521.16833	1.7
539.18018	63.0
540.18317	8.8
544.44293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.5
59.01244	3.2
61.98700	1.4
67.34657	0.6
69.03319	2.1
70.73358	0.9
70.73696	0.9
71.01247	1.6
71.04866	0.6
75.76517	0.5
78.95776	33.4
79.95612	1.6
83.04899	1.5
85.02811	1.8
87.00717	0.8
93.03334	1.2
96.95900	9.6
96.96821	3.0
97.02840	0.8
97.06437	0.8
97.69835	0.5
99.08020	1.8
101.02261	0.8
103.00224	0.7
111.08040	1.2
113.09608	2.1
117.44659	0.5
124.29757	0.6
125.09624	0.8
127.11167	0.7
129.09088	2.2
135.04420	0.9
139.11162	2.1
150.97913	1.2
151.11214	0.8
152.99489	46.8
153.09090	0.6
153.99794	0.8
163.11166	1.0
165.12830	0.6
167.10718	0.7
169.12233	2.2
171.00504	2.7
171.10175	7.0
174.03090	0.8
175.53706	0.6
177.12779	1.1
181.12230	2.9
183.13837	1.4
185.11702	1.1
191.05548	6.7
193.12291	2.1
195.13768	0.7
197.11774	6.4
199.13295	1.8
200.04382	0.7
211.13345	12.5
212.13748	0.8
227.03265	5.1
245.04301	1.4
249.22318	0.7
275.20160	1.0
293.21265	11.5
294.21616	1.9
311.22275	45.9
312.22659	3.7
447.21603	1.5
453.12097	3.6
453.18045	3.6
465.22134	0.8
495.19037	1.0
539.26221	100.0
540.26581	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2629
Annotation	CHEBI:68152
Peak:m/z	Relative Intensity
52.66581	0.5
57.03313	1.1
57.96509	0.4
59.01257	3.3
60.23024	0.5
61.98700	1.1
63.35844	0.4
69.03313	1.1
69.25253	1.0
69.25666	3.5
71.01253	0.9
77.41692	0.5
78.95776	34.5
79.95604	2.2
80.96391	0.6
83.04921	0.8
85.02840	0.6
91.26245	0.6
93.03358	1.3
95.95087	0.9
96.95891	14.1
96.96809	3.0
97.02822	0.6
97.06464	0.8
98.19830	1.1
99.08027	2.1
101.02351	0.5
103.00266	0.9
111.08016	0.9
113.09597	2.2
119.27872	0.5
127.07533	0.6
129.09111	3.2
133.02798	0.9
139.11145	0.6
141.01830	0.5
150.97957	0.7
151.11235	0.7
152.99493	50.0
153.99847	0.8
163.11136	0.6
164.98607	0.6
169.12254	2.4
171.00531	3.0
171.10159	2.1
178.02690	0.5
181.12248	4.0
183.10231	0.7
183.13831	2.1
185.11873	0.6
191.05553	4.2
193.12285	1.4
195.39532	0.6
197.11757	9.5
198.12085	0.9
199.13347	5.9
209.11749	0.6
211.13342	14.6
212.13640	0.5
227.03233	5.2
238.06233	0.5
241.00130	0.6
245.04222	2.0
265.21628	0.6
275.20129	1.4
291.19855	0.6
293.21216	9.8
294.21390	1.5
311.22278	48.1
312.22614	5.6
447.21686	2.5
453.12198	2.3
453.18018	4.4
454.18222	0.8
465.22675	0.8
495.12955	0.9
495.19107	3.5
502.78033	0.5
539.26221	100.0
540.18207	1.1
540.26563	14.6
563.33197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	18.8
61.98691	0.5
63.76769	0.5
69.03336	0.9
69.21544	3.4
69.21975	1.9
71.01250	2.9
72.99206	1.2
73.02811	1.1
76.96949	0.7
79.95602	19.5
80.96403	2.7
81.95192	2.0
81.96008	0.5
85.02823	1.5
89.02301	1.2
95.95116	4.5
96.95886	100.0
97.02823	0.7
97.95839	0.7
98.95475	14.3
98.96296	2.4
100.95338	0.5
100.95928	1.1
101.02323	2.0
102.10773	0.5
103.00246	13.5
104.00610	0.6
116.48332	0.5
134.97464	0.8
135.04399	0.7
138.96976	0.8
150.96980	2.1
152.98538	1.9
154.98209	0.6
164.97331	0.6
164.98534	2.9
177.03906	0.6
180.98067	2.0
191.05545	1.0
203.01852	0.9
212.10857	0.6
238.98676	1.7
241.00195	4.4
253.76660	0.5
256.99652	3.1
272.71021	0.5
299.00827	1.4
353.14044	2.3
402.47336	0.6
435.16782	1.7
451.15546	2.1
452.15588	2.3
453.18109	93.1
454.18396	11.8
493.16660	0.9
495.19046	42.9
496.19473	6.6
521.16644	2.1
539.17694	50.0
540.18176	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15390	0.3
59.01252	16.5
61.98705	0.4
69.03337	0.9
71.01248	3.8
71.06782	0.7
72.99174	1.0
77.21214	0.4
79.95608	17.3
80.96397	3.0
81.95198	2.1
82.95956	0.6
83.01287	0.5
85.02832	1.7
87.00754	0.9
89.02345	1.1
93.03370	0.5
95.95112	4.2
96.95889	100.0
97.02839	1.3
97.95808	0.9
98.95471	15.5
98.96295	2.8
100.95319	0.7
100.95905	1.4
101.02316	1.8
103.00256	12.2
104.00642	0.6
105.00677	0.6
113.02322	0.9
122.97424	0.7
134.97479	0.7
138.97015	1.2
150.96973	1.6
152.98558	2.2
164.98561	3.0
166.04897	0.3
176.98610	0.4
177.03976	0.7
180.98039	1.8
191.05510	1.2
194.99651	0.7
199.25960	0.5
203.01979	0.9
210.57700	0.4
237.72177	0.5
238.98639	1.7
241.00255	2.8
256.99695	2.8
299.00827	1.5
309.14926	0.5
324.10168	0.5
353.14130	2.6
435.16620	1.4
451.15326	2.3
452.15350	3.2
453.18079	77.0
454.18402	10.6
468.28326	0.5
493.16287	1.1
495.19061	37.2
496.19427	5.2
521.16583	1.2
522.16376	0.4
539.17487	35.1
540.18152	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08938	0.4
56.57741	0.4
59.01254	16.5
60.59188	0.4
61.98702	0.4
66.64502	0.4
67.97682	0.4
69.03316	1.0
69.48579	2.6
69.48984	0.9
71.01250	3.5
73.02810	1.3
77.51974	0.4
79.95611	6.9
80.96395	2.8
83.01237	0.5
85.02818	2.8
87.00711	0.8
89.02321	1.3
93.03320	1.9
95.95107	2.6
96.95892	100.0
97.02846	0.5
99.00719	0.5
100.87939	0.4
101.02324	2.8
103.00253	10.0
109.06443	0.6
113.02321	1.2
119.03419	0.4
120.56584	0.4
120.95888	0.5
133.02873	0.6
138.96979	0.7
150.96960	1.1
152.98512	1.7
164.98563	5.4
172.05188	0.5
177.03944	0.8
180.98082	2.0
190.91368	0.5
191.05551	11.2
192.05856	1.3
209.11807	0.8
227.07085	0.4
241.00211	4.6
256.99716	3.7
299.00662	0.6
313.05841	0.6
399.14902	0.7
435.16910	2.1
453.18018	94.0
454.18304	12.2
461.95425	0.5
495.19150	43.2
496.19424	7.1
521.16864	1.0
539.18011	59.7
540.18323	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	54.1
71.01254	58.2
71.43484	25.7
89.02314	100.0
96.86089	18.1
99.62749	15.4
101.02300	28.5
102.55914	16.6
105.85866	14.2
112.06927	15.7
113.02320	24.2
148.87920	16.3
160.01181	14.2
161.46858	15.0
221.06599	66.8
449.54861	18.3
462.66556	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	12.2
61.98693	1.0
69.03322	0.4
69.26028	2.7
71.01246	3.0
72.99190	0.6
73.02816	2.5
74.37305	0.3
75.00742	0.4
75.75746	0.3
78.95767	0.3
79.95130	0.4
79.95602	8.5
80.96382	5.0
81.03289	0.3
81.95179	0.5
83.01221	0.3
85.02815	2.8
87.00765	1.4
89.02308	1.5
93.03333	0.4
95.95110	0.5
96.95885	100.0
97.02814	0.4
97.94703	0.3
98.95468	9.5
98.96296	1.4
101.02325	3.7
103.00250	7.5
103.03840	0.3
113.02316	0.5
119.03394	0.6
122.97414	0.6
125.02373	0.4
131.03366	0.4
134.97464	0.5
135.04453	0.5
135.13510	0.3
138.96931	0.6
143.03452	0.7
150.96976	0.5
151.03918	0.9
152.98503	2.2
155.10638	0.6
163.06004	2.1
164.98531	8.4
179.03415	1.1
180.98042	1.3
191.05516	1.3
193.08592	0.4
193.12247	0.5
194.05774	0.8
194.99617	0.5
195.06483	0.7
205.07115	0.4
209.08125	0.6
211.13341	1.4
222.99146	0.9
241.00194	10.8
242.00526	0.7
242.99799	1.5
256.99719	0.7
283.01331	4.8
284.01501	0.6
285.01117	1.3
315.05099	0.6
327.00119	1.5
392.67877	0.3
401.60019	0.3
435.13205	1.9
452.15933	0.6
453.14273	23.3
454.14468	2.4
459.12714	0.5
495.15500	45.6
496.15747	5.3
496.21991	0.5
497.20905	1.6
521.13440	1.2
538.33112	1.2
539.14532	20.7
540.14691	2.9
540.21442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51318	0.3
57.03333	0.5
59.01250	18.7
61.98701	1.9
69.03316	1.4
71.01252	5.8
71.53715	0.4
72.14842	0.4
72.99178	1.1
73.02818	2.8
73.45007	0.3
75.00729	0.3
78.95770	0.5
79.95606	15.8
80.96391	5.5
81.95193	0.7
83.01267	1.2
83.64281	0.3
84.84639	0.4
85.02339	0.5
85.02816	4.3
85.99968	0.6
87.00744	1.3
89.02346	2.0
93.03333	1.0
95.01256	0.7
95.95097	4.6
96.95886	100.0
97.02825	0.8
97.95779	0.4
98.95475	6.3
98.96292	0.9
99.00758	1.5
101.02324	5.6
103.00251	9.1
107.75289	0.4
109.02817	0.9
113.02352	2.2
119.03352	1.0
122.97459	0.4
125.02306	0.7
127.07574	0.7
134.03629	0.6
134.97462	0.7
135.04424	0.3
137.02353	0.4
138.96973	0.7
141.01804	0.5
143.03426	0.6
150.96870	0.7
152.98506	2.2
153.01849	1.4
153.09073	0.4
161.04553	0.5
164.98546	8.2
179.03427	0.9
180.98048	1.0
185.00835	0.7
191.05469	2.6
193.12280	0.8
194.99677	0.6
197.01062	0.5
198.98372	0.4
208.78665	0.3
209.17032	0.4
211.13293	1.9
214.87640	0.3
225.00714	0.8
238.98572	0.6
241.00122	4.4
242.00630	0.4
242.99911	1.2
256.99704	2.4
283.01254	1.4
285.00812	0.8
299.00784	2.0
353.13879	0.5
355.17618	1.4
373.18674	10.4
374.18826	1.4
380.11340	0.5
415.19699	5.8
416.20230	0.6
435.13480	1.8
453.14087	26.6
454.14432	3.0
479.32156	0.4
495.15399	60.3
496.15643	8.2
496.57004	0.4
521.12891	1.2
539.14337	23.2
540.14655	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2469
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
57.03315	1.3
59.01258	4.1
61.98677	2.4
69.03316	2.3
71.53143	1.2
78.95774	43.3
80.02547	1.1
81.03310	2.6
83.01268	5.1
83.04878	2.5
85.02844	1.0
95.04898	1.5
96.95883	3.4
96.96833	3.1
97.02818	1.8
97.06470	3.0
123.04415	1.4
123.08030	2.6
125.05988	1.6
125.09628	7.3
135.07986	1.0
137.09610	1.4
139.11220	4.0
150.97878	1.7
152.99487	68.1
153.99791	2.8
156.72740	0.8
163.11224	4.1
165.12750	8.6
167.10690	3.0
171.00543	3.9
181.12308	1.9
183.13826	1.2
191.05496	1.2
191.10710	2.2
193.15933	3.3
203.01881	1.4
209.11765	24.8
210.12105	2.8
211.13458	0.8
216.57251	0.8
227.03207	5.7
245.04216	1.5
247.20674	6.6
265.21841	1.4
273.18579	2.1
281.21198	1.0
291.19669	37.7
292.19992	4.8
301.71066	0.8
309.20709	24.4
310.20963	2.5
445.19711	1.5
450.23364	3.3
537.24664	100.0
538.24963	18.4
538.32513	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2475
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
52.70787	1.9
59.01246	12.4
59.01490	2.0
61.98697	8.3
63.24003	1.9
69.03316	11.5
69.83351	11.6
71.01254	4.1
72.99181	2.8
78.95773	34.0
79.95576	4.8
85.02807	5.2
87.00768	3.5
93.03327	4.2
96.95880	29.1
96.96818	3.5
97.02820	3.4
98.95450	3.6
99.00711	2.2
110.91540	2.0
111.08043	13.6
119.03400	1.9
120.66425	2.3
127.03862	2.1
135.04390	5.4
152.98349	3.1
152.99500	49.9
162.98965	2.2
164.60405	2.3
169.12187	5.5
171.00577	4.1
179.03500	2.4
179.10675	2.2
191.05548	19.6
197.11757	48.1
198.12161	3.7
199.13286	2.2
209.11665	2.3
211.13394	7.2
223.86830	2.3
227.03177	4.3
230.09012	1.9
245.04158	5.0
253.09293	2.6
263.20163	3.0
291.19620	7.0
309.20700	28.5
310.21204	2.7
369.12885	2.7
425.08066	1.9
445.19827	2.2
450.14648	2.2
451.09689	3.3
451.15714	12.9
493.17224	4.3
537.15497	8.5
537.24652	100.0
538.25269	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47043	0.7
51.84784	0.7
55.01750	2.1
57.03324	1.9
58.00470	2.7
59.01252	48.4
61.98722	1.3
67.01761	0.9
69.03336	2.1
69.38920	4.3
69.39343	3.0
70.82227	0.8
71.01254	38.6
72.01600	1.1
72.99200	4.5
73.02442	1.1
73.02820	12.0
75.00739	1.5
78.95765	0.7
79.95592	3.6
80.04949	0.8
83.01250	4.1
85.02829	12.7
87.00753	3.2
89.02319	29.9
93.03322	1.6
94.06524	0.9
94.35455	0.7
95.01259	2.3
95.95138	1.0
96.95889	23.6
97.02818	1.6
98.20531	1.5
99.00760	1.5
101.02326	25.3
101.96214	0.7
102.02618	1.0
103.00253	2.5
104.01910	0.8
108.01992	0.9
111.00736	0.8
113.02334	14.8
113.09579	0.9
115.68304	0.8
119.03394	12.3
119.04880	1.1
121.10127	2.1
122.06023	1.2
123.08063	0.9
125.02344	0.8
125.09627	0.8
129.07472	0.8
133.02870	2.0
137.09612	1.3
138.05446	0.8
138.96936	0.7
141.01775	1.1
143.03392	2.4
143.10699	1.4
148.03966	1.3
149.04355	1.6
152.98491	0.8
153.09146	1.7
155.10704	1.3
159.02928	0.9
161.04507	4.2
163.03893	1.2
164.98488	0.9
166.05017	3.6
167.03418	1.4
167.10709	1.1
173.11755	1.9
177.01842	13.9
178.02142	1.1
179.03473	0.8
179.03978	0.9
179.05525	6.7
179.10719	1.9
187.13326	2.5
191.05508	5.8
199.13252	1.2
211.08730	2.5
217.14371	16.4
241.00146	1.2
256.99603	1.3
270.40964	0.7
272.09317	1.1
273.09003	0.9
284.94064	0.8
301.19095	1.5
345.26126	1.1
357.26553	1.5
375.27533	34.0
376.27835	4.7
406.36530	0.9
417.23816	0.9
432.15448	1.5
450.16708	1.2
451.16504	19.0
452.16672	3.2
476.14163	1.0
493.17728	8.2
494.16415	1.8
520.13409	1.3
537.16284	7.7
537.32794	100.0
538.15533	4.0
538.33118	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.8
58.00461	5.7
59.01249	99.9
60.01582	1.9
64.20374	1.4
67.67474	1.4
69.23761	14.6
71.01254	64.9
72.01567	2.0
72.99179	7.2
78.00055	1.6
83.01265	3.7
85.02821	13.2
87.00759	6.0
89.02315	93.0
90.02647	1.6
95.01264	4.1
96.95868	4.2
101.02323	36.4
108.01995	1.8
109.02850	11.9
113.02335	24.5
119.03386	38.8
121.02847	1.7
123.04408	2.7
125.02330	1.9
131.03407	2.7
136.01555	51.1
136.02565	3.3
143.03415	5.5
143.04887	2.0
146.03622	1.9
148.47498	1.4
149.04465	3.5
151.03911	59.7
152.04265	3.2
159.04424	4.8
160.05196	6.3
161.04463	5.0
163.03925	2.1
171.04434	3.7
172.05170	2.4
173.05943	4.5
175.03941	2.3
175.07571	3.3
176.04691	4.5
179.05505	18.0
187.03926	8.2
188.04630	3.3
189.05408	1.7
191.07104	2.0
200.04781	1.6
202.06343	5.6
203.07004	3.4
207.08086	1.8
209.06332	2.0
233.05984	1.9
235.07584	3.9
245.05960	1.9
251.07089	6.0
261.05518	2.5
262.06415	2.2
263.07098	15.9
264.07755	2.6
265.08374	1.7
267.06635	2.9
277.08466	2.3
278.06293	2.3
278.09494	10.6
279.06705	16.1
279.09756	3.3
280.07248	2.0
282.09009	1.9
292.07416	1.8
293.08139	4.0
294.08875	14.1
295.09616	2.2
297.11224	2.8
308.10223	2.2
309.07758	4.6
309.11313	20.7
310.11456	3.1
312.09949	4.6
323.09274	5.9
324.10080	15.0
327.12381	26.3
328.12659	3.6
339.12347	100.0
340.12766	14.5
345.13678	1.9
357.13385	5.2
358.13693	1.6
375.14270	1.7
397.13272	1.7
507.18726	3.7
519.19104	1.5
537.20306	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2469
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
57.03318	2.9
59.01247	3.2
61.98711	1.3
65.69407	0.8
69.03324	3.3
70.53698	0.6
71.01290	0.8
71.08575	1.5
74.69469	0.7
76.10960	0.6
78.95779	39.6
81.03305	1.8
83.01272	5.4
83.04900	2.7
83.79520	0.7
88.98638	0.7
93.52128	0.7
95.04910	1.3
96.95906	1.5
96.96844	3.5
97.02835	1.2
97.06471	2.6
98.03578	1.3
98.95399	0.7
99.00738	1.0
108.29160	0.8
109.02859	0.8
123.04451	1.9
123.08066	2.4
125.05943	0.9
125.09602	5.6
133.54469	0.7
137.09572	1.1
139.11183	3.3
141.09111	1.2
151.11192	1.0
152.99489	51.5
153.99812	1.4
162.10425	1.1
163.11151	5.0
165.12772	7.2
167.10657	3.2
171.00592	2.8
180.11497	0.9
181.12241	4.0
191.05487	3.1
191.10719	2.1
193.15964	2.4
207.10077	1.2
209.11772	30.8
210.12036	3.0
211.13269	1.0
227.03244	4.3
245.04292	2.8
247.20587	6.9
265.21844	1.7
273.18542	1.8
281.21085	1.0
291.19656	28.0
292.19919	3.7
309.20709	23.3
310.21075	2.5
445.19797	1.7
447.13229	1.1
449.00983	0.8
537.24683	100.0
538.25098	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.3
59.01250	13.9
60.01610	0.3
61.98700	0.5
62.83784	0.3
63.12477	0.3
69.03337	0.7
71.01252	2.5
72.99162	0.8
73.02823	1.8
78.66003	0.3
79.95603	7.1
80.96392	3.4
83.01253	0.5
85.02818	1.2
87.00749	0.5
87.61795	0.3
89.02316	0.8
93.03326	1.1
94.97906	0.2
95.95132	0.9
96.95888	100.0
97.95826	0.5
98.95472	1.2
98.96347	0.3
99.00784	0.3
101.02315	1.9
103.00251	9.8
104.00639	0.3
113.02324	0.7
120.95875	0.5
122.97441	0.6
125.02268	0.3
129.53185	0.3
135.04359	0.3
138.96938	0.9
150.96968	0.8
152.98543	1.3
164.98546	3.9
173.04491	0.8
179.03421	0.4
180.98058	1.9
191.05547	1.8
194.05994	0.3
239.98343	0.3
241.00215	4.7
256.99686	0.9
299.00610	0.3
332.11520	0.3
379.10791	0.6
391.11234	0.3
393.12271	0.3
401.04312	0.3
421.12173	0.4
433.15115	1.9
450.15009	0.3
451.16394	82.7
452.16727	9.2
493.17468	34.2
494.17767	4.9
519.15350	1.1
537.16406	34.7
537.32623	1.5
538.16730	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54348	0.5
57.03319	0.6
59.01254	17.2
60.65048	0.6
61.44128	0.5
61.98695	1.7
65.00651	0.6
67.01756	0.5
69.03328	2.2
71.01241	2.5
71.33514	1.1
71.33880	0.6
72.66885	0.5
73.02820	1.5
75.13685	0.5
76.79412	0.5
78.95774	10.5
79.95609	11.0
80.96398	3.1
82.69907	0.5
83.01242	0.7
85.02835	2.9
89.02321	1.1
93.03341	1.3
95.95103	5.8
96.95890	100.0
97.02824	3.3
98.95451	0.9
98.96339	0.5
99.00759	0.7
101.02327	2.0
103.00251	12.6
111.08056	0.8
113.02315	1.3
129.01826	0.5
135.04427	1.6
137.09610	1.8
145.15187	0.6
152.98497	1.9
152.99535	11.2
164.98552	2.5
169.12279	0.8
171.00551	0.9
171.10170	2.5
179.03453	0.9
180.98044	2.2
185.00847	1.1
185.11787	0.6
191.05568	8.3
192.05849	0.7
197.11798	4.7
209.11604	0.6
211.13324	1.1
221.11736	0.6
225.00745	1.8
227.03308	1.1
241.00188	5.4
256.99628	0.8
259.01141	0.6
283.01270	0.8
291.19693	2.2
309.20724	8.5
396.13882	1.1
433.15176	1.5
451.16409	99.9
452.16779	12.5
473.47882	0.6
493.17493	45.3
494.17950	6.3
495.18951	1.0
519.15521	1.3
537.16473	64.4
537.24695	23.0
538.16840	9.9
538.25031	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.7
57.03323	1.0
58.00464	0.9
59.00986	0.9
59.01251	8.3
61.98693	1.6
69.03325	3.0
70.87660	0.9
70.87975	1.0
71.01241	2.7
72.99175	0.7
73.02827	1.9
79.95612	2.4
80.96385	1.2
81.95187	0.6
83.04939	0.7
85.02827	3.3
87.00673	0.7
87.04391	8.4
89.02315	0.8
93.03356	1.3
95.01259	1.0
95.95128	0.7
96.95895	19.0
97.02839	2.1
98.95487	7.5
98.96176	1.2
101.02328	3.1
103.00246	1.8
106.04140	0.8
106.29506	0.7
109.02861	1.0
111.00776	0.8
111.97900	0.7
113.02316	0.8
117.26244	0.6
121.02859	1.7
125.02298	0.7
125.05991	0.7
133.02866	2.4
134.03635	69.1
135.04036	3.0
135.08083	0.9
137.01393	1.0
137.02348	11.5
137.09622	4.7
139.03889	5.3
139.07477	1.3
143.03419	0.6
149.02377	0.8
149.05989	19.2
149.07176	1.1
150.03143	1.5
150.06255	1.4
151.11234	0.6
155.10689	24.1
156.11023	0.9
167.10677	0.8
169.12241	1.1
178.02640	44.8
179.03140	2.7
179.10683	2.6
181.08635	2.3
191.05518	4.6
191.10670	2.6
192.05904	0.7
193.04991	100.0
193.22380	0.6
194.05293	5.4
195.10170	2.0
199.09700	33.0
200.10010	1.8
213.11223	0.7
223.09724	1.0
225.11168	1.3
227.12906	1.0
241.00021	1.3
241.10783	12.0
242.11064	1.0
242.99728	0.6
253.10745	2.3
255.12405	1.9
256.99713	1.4
283.11896	16.3
284.12186	1.1
343.14063	7.9
344.14059	1.1
439.16049	0.7
449.14816	1.0
450.15421	0.8
451.15506	14.6
452.15945	1.9
493.16641	7.6
537.15308	3.9
537.19904	6.5
538.20880	1.6
538.87885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33680	0.3
59.00952	0.6
59.01252	12.3
60.01589	0.6
60.13753	0.3
61.01682	0.3
67.34126	0.2
69.57319	1.7
71.01250	2.5
72.99172	0.4
73.02818	1.3
75.00821	0.3
79.95609	5.9
80.96393	2.3
81.95201	1.0
82.95965	0.5
83.01247	0.5
83.03397	0.3
85.02836	1.1
87.00752	0.7
89.02325	1.0
95.95115	1.3
96.95889	100.0
97.95813	1.2
98.95470	19.4
98.96299	2.7
99.00751	0.3
101.02346	2.2
103.00253	8.6
104.00578	0.4
105.00697	0.3
113.02324	0.8
119.03374	0.4
122.97476	0.3
125.02271	0.3
134.97476	1.3
138.96953	1.1
143.03416	0.6
143.74341	0.3
150.96973	0.8
152.98494	1.8
154.77728	0.3
161.02332	0.6
164.98547	2.1
166.98132	0.7
179.03395	4.1
180.98100	1.5
191.05580	0.5
194.05765	3.2
194.99664	0.5
209.08115	3.5
222.99063	0.5
241.00206	14.4
242.00452	0.8
243.00172	0.9
283.01285	11.8
327.00415	0.5
357.26575	0.8
359.16431	0.3
375.27582	0.7
427.06769	0.3
433.14383	0.7
445.67328	0.3
449.14661	3.2
450.15204	7.4
451.08859	3.1
451.15549	43.4
452.15717	4.4
491.16266	0.8
492.16281	2.7
493.10046	11.2
493.16672	21.6
494.10403	1.3
494.16635	1.6
519.07880	0.5
519.14868	0.7
536.15424	1.6
536.22614	0.3
536.31714	0.8
537.08917	3.3
537.15704	21.1
537.32605	4.6
538.09113	0.4
538.16016	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.5
61.98685	0.7
69.03323	0.9
71.01253	1.8
72.99174	0.5
73.02826	0.9
78.42276	0.3
79.95604	6.3
80.96395	1.7
81.95203	0.7
82.95949	0.5
83.01250	0.4
85.02807	1.1
87.00760	0.6
89.02311	0.5
93.03339	0.9
95.01263	0.5
95.95097	1.7
96.95885	100.0
97.02843	0.5
97.95823	0.7
98.20569	0.7
98.95466	9.9
98.96290	1.8
101.02318	1.3
103.00244	5.3
103.00868	0.3
108.02094	0.3
113.02339	0.7
119.04917	0.4
122.03611	0.8
123.04423	1.3
128.01962	0.3
133.02861	0.5
134.97466	1.6
135.04395	0.7
138.96973	0.9
143.03400	0.8
150.96959	0.9
152.98518	3.5
156.16083	0.3
161.02380	1.5
164.98581	1.0
172.75911	0.3
173.04401	0.5
178.44035	0.3
179.01828	0.6
179.03412	7.5
180.03773	0.3
180.97995	1.0
181.12079	0.4
191.05595	2.2
193.01303	0.8
194.05782	5.8
194.99648	0.9
195.06425	0.5
202.79971	0.3
209.08142	6.4
210.08484	0.3
222.99124	0.9
225.00737	0.4
241.00197	17.9
242.00552	0.8
243.00079	0.9
256.99753	0.5
283.01291	15.2
284.01636	0.6
327.00204	1.0
413.14206	0.4
425.00766	0.3
433.08179	0.5
449.14816	1.3
450.14975	2.7
451.08884	8.6
451.15048	10.9
452.08868	0.8
452.15036	0.7
460.75049	0.4
492.16226	1.2
493.10120	20.2
493.16321	4.0
494.10275	2.3
494.16614	0.4
519.08099	0.9
536.15558	0.8
537.08972	6.7
537.15552	4.3
537.32190	1.5
538.09589	0.9
538.16943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65759	0.6
57.41225	0.6
59.01251	18.0
71.01249	1.9
71.01995	1.6
73.02821	1.0
76.96844	0.7
79.95608	15.0
80.96381	2.8
85.02823	1.5
89.02299	1.5
91.77932	0.6
92.30664	0.6
95.95115	4.5
96.95887	97.3
98.95470	4.1
98.96343	1.1
101.02314	1.9
103.00252	11.9
112.74429	0.6
138.96906	0.7
143.16484	0.7
150.97008	1.9
152.98540	2.7
158.41890	0.9
164.98538	3.6
180.98036	2.3
196.50752	0.6
198.38875	0.6
238.98540	1.0
241.00208	5.4
256.99741	4.9
309.83771	0.7
395.10107	0.8
401.28055	0.6
433.15433	2.0
450.15335	1.4
451.16370	100.0
452.16760	14.9
457.33383	0.7
491.39560	0.7
493.17465	38.3
494.17679	5.2
519.15283	1.8
537.16370	34.0
538.16846	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2319
Annotation	Cowagarcinone E
Peak:m/z	Relative Intensity
55.36540	1.0
57.03312	3.4
59.01250	11.7
60.76097	1.1
60.99164	1.2
61.98693	4.6
67.01745	1.2
69.03319	4.7
70.68716	2.8
71.01251	2.5
72.09879	1.0
73.02821	1.2
78.95779	45.7
79.95601	2.9
81.03320	3.6
83.01247	3.7
83.04888	3.1
85.02824	2.9
93.03323	3.9
95.04906	2.5
96.95287	1.8
96.95892	33.8
96.96862	3.1
97.02808	3.3
97.06466	4.1
99.00777	1.4
103.00244	2.2
109.06469	2.2
111.04375	1.5
111.98965	1.1
123.04404	3.3
125.09596	7.2
134.03627	2.0
134.37015	1.1
135.04399	2.6
135.08020	1.7
137.05931	1.2
137.09604	3.3
141.01813	1.6
141.12752	1.4
152.99490	65.8
153.09030	1.2
163.11198	6.4
165.12726	1.8
171.00580	5.6
173.04514	1.6
179.03423	1.4
181.12219	1.4
185.11781	4.5
190.43819	1.3
191.05516	12.0
191.10713	2.7
191.14330	6.2
207.10185	3.9
209.11789	19.6
211.13283	1.3
225.11215	3.8
227.03159	6.8
243.83138	1.2
245.04337	4.0
245.19067	13.5
275.09009	1.2
289.14874	1.3
289.18100	26.5
290.18469	2.6
307.19131	16.3
308.19589	1.9
443.18106	1.8
449.08585	1.9
449.14850	35.6
450.14999	5.1
491.16058	11.8
514.86310	1.4
535.14874	23.2
535.23047	100.0
536.15503	4.0
536.23389	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2313
Annotation	Cowagarcinone E
Peak:m/z	Relative Intensity
55.87281	0.9
57.03305	2.6
59.01244	4.9
61.98685	4.0
69.03329	1.9
71.01250	2.1
78.95773	47.0
79.95631	1.1
81.03337	2.9
83.01270	5.3
83.04883	2.7
91.94933	1.0
93.03315	1.1
95.04877	1.4
96.95883	5.1
96.96825	4.7
97.02814	3.7
97.06461	3.1
107.04930	0.9
109.06454	1.4
109.15827	1.0
121.06462	1.1
123.04410	3.3
123.08003	1.9
124.35040	0.9
125.09626	6.6
134.39487	1.0
135.08052	1.3
137.09605	3.7
141.12770	1.4
149.06013	1.3
150.97842	1.2
151.11154	1.2
152.99489	70.5
161.09622	1.2
163.11172	6.3
165.12740	2.2
167.10748	1.6
171.00551	4.4
177.12805	1.0
179.10634	1.5
181.12253	2.7
185.11761	5.3
191.05486	2.8
191.10739	1.2
191.14334	5.9
207.10190	4.9
209.11761	22.1
210.12091	1.4
217.15834	1.0
225.11224	4.6
227.03262	5.0
245.04303	2.7
245.19098	9.1
263.20123	1.7
271.16959	1.1
289.18085	25.5
290.18350	2.4
307.19159	19.1
308.19562	2.5
313.18042	1.0
331.19122	2.4
443.18594	2.0
449.14743	2.0
449.22736	2.5
504.20819	1.4
535.23102	100.0
536.23480	16.9
546.58295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
59.01257	7.7
61.98701	1.0
67.01766	0.6
69.03322	2.9
71.01244	2.8
71.54651	0.7
72.04428	3.5
72.99155	0.8
73.02808	0.9
75.00742	0.6
79.95612	10.2
80.96410	3.8
84.10770	0.6
85.02822	2.0
87.00742	1.1
89.02305	1.1
93.03359	1.2
95.95082	0.7
96.95889	100.0
97.02837	1.2
97.95829	0.7
98.95462	2.4
99.00777	1.1
101.02319	2.1
103.00253	3.0
110.97466	2.3
113.02309	0.8
126.06568	0.6
133.02863	1.2
135.04404	1.7
138.96931	2.6
141.01837	1.2
150.97002	1.1
152.98537	2.1
161.02327	1.6
164.98549	3.3
173.04518	0.8
179.03415	2.2
180.98024	2.5
185.00919	0.5
191.05554	7.5
198.99130	2.0
241.00212	9.3
242.00574	1.1
255.10294	0.6
256.99811	1.0
259.01282	2.3
377.12918	2.1
383.17090	0.7
395.13785	80.7
396.14124	7.6
437.14877	1.1
449.14624	3.6
450.15216	14.6
451.15704	4.7
463.12775	21.5
464.13535	2.6
476.16013	4.5
481.13647	2.5
491.16345	0.9
492.16232	7.3
493.16650	2.4
494.17197	0.6
536.18146	31.6
537.17828	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50254	0.2
55.01747	0.2
56.93999	0.2
59.01251	9.8
59.78974	0.2
60.01580	0.4
61.98687	0.5
66.29529	0.2
67.55898	0.2
69.03327	1.0
69.22287	1.3
69.22710	0.8
71.01252	1.7
72.99179	0.7
73.02814	0.8
75.00761	0.2
78.95801	0.2
79.95605	6.9
80.96391	1.8
81.95190	0.8
82.96004	0.3
83.01266	0.4
85.02821	1.1
87.00755	0.8
89.02324	0.4
90.27688	0.2
93.03336	1.0
94.97948	0.2
95.95117	1.6
96.95889	100.0
97.02858	0.5
97.94662	0.2
97.95818	1.0
98.95471	12.0
98.96304	2.0
99.00758	0.3
101.02345	1.3
103.00255	5.8
104.00574	0.3
108.02044	0.4
109.02837	0.6
110.03003	0.2
113.02323	0.6
122.03617	1.4
122.97468	0.4
123.04429	1.2
125.02274	0.3
126.79189	0.2
128.77802	0.3
133.02875	0.5
134.03616	0.4
134.97452	2.1
135.04404	0.5
137.02301	0.4
138.96970	1.3
149.02303	0.3
150.96960	0.7
151.03973	0.3
152.98535	2.7
154.98091	0.3
161.02338	0.9
163.86496	0.2
164.98514	1.2
165.98820	0.3
166.98048	0.2
167.47870	0.2
173.04454	0.4
177.01843	0.3
179.03432	7.0
180.03792	0.4
180.98044	1.0
181.12239	0.7
191.05531	2.4
192.04311	0.3
193.01357	0.5
194.05786	5.1
194.99637	0.5
197.01318	0.2
209.08139	6.3
210.08420	0.3
222.99066	1.1
225.00783	0.5
241.00200	19.5
242.00464	1.2
242.99799	1.5
256.99765	0.5
265.00235	0.2
267.01840	0.4
283.01288	16.9
284.01566	0.9
285.01077	0.3
327.00327	0.9
373.53589	0.2
413.14236	0.4
433.07800	0.3
449.14801	1.7
450.15106	3.2
451.08765	9.8
451.15115	13.4
452.09201	0.8
452.15363	1.0
491.16229	0.3
492.16348	1.0
493.10065	22.6
493.16415	5.8
494.10437	3.4
494.16672	0.5
495.18271	0.3
519.07770	1.1
536.15063	0.7
536.31458	0.8
537.08893	8.2
537.15417	4.5
537.31958	1.1
538.08246	1.2
538.15753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57204	0.3
59.00950	0.8
59.01251	12.4
69.32794	2.3
69.33218	1.1
71.01254	1.7
73.02818	1.7
79.95605	10.4
80.96387	3.7
83.01266	0.8
85.02818	1.0
89.02339	0.6
95.95121	2.7
96.95889	100.0
99.41607	0.4
101.02331	2.1
103.00259	8.7
113.02306	0.5
121.93634	0.4
122.97491	0.7
138.96960	1.3
150.96991	1.4
152.98500	1.6
164.98558	3.6
165.23015	0.4
180.98032	2.5
194.99516	0.4
229.10005	0.5
241.00169	5.3
256.99655	1.3
431.13788	1.5
434.96851	0.4
445.57965	0.4
449.14847	72.3
450.15234	9.8
491.15933	36.9
492.16309	5.7
517.13995	1.1
535.14874	29.3
536.15234	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57954	0.4
58.37569	0.5
59.01252	10.8
60.28793	0.5
69.46987	3.6
71.01257	1.0
73.02812	2.8
77.30550	0.5
79.95605	6.4
80.96392	2.8
83.01240	0.5
85.02821	1.1
89.02317	0.5
92.42198	0.4
94.03039	0.4
95.95116	1.0
96.95887	100.0
98.20512	0.9
101.02351	1.7
103.00243	8.0
113.02262	0.6
138.96988	1.0
143.03453	0.7
147.59821	0.5
150.97029	0.9
152.98518	1.1
164.98557	4.2
180.98058	2.1
198.99120	0.6
199.80963	0.5
229.64453	0.5
241.00160	4.6
431.13925	1.4
449.14838	75.3
450.15137	10.3
491.15927	36.1
492.16202	6.7
535.14886	38.8
536.15240	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.3
59.01244	1.2
67.01761	0.4
69.03315	0.3
70.86620	0.4
71.01252	0.9
73.02807	0.6
81.03304	0.4
83.04912	0.4
85.02824	10.5
86.03175	0.2
86.78030	0.2
87.00742	2.7
92.95892	0.2
93.03333	3.8
99.04409	0.6
101.02312	0.3
103.70143	0.2
109.02846	1.0
111.04385	1.0
117.94691	0.1
125.02329	0.2
127.03907	2.2
129.01797	0.3
147.02887	0.2
148.94844	0.3
153.01888	0.2
171.02881	0.8
173.04466	1.0
191.05534	100.0
192.05875	4.3
336.77426	0.2
364.41370	0.2
422.64969	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1875
Annotation	Syringin-4-O-beta-glucoside
Peak:m/z	Relative Intensity
52.57671	0.6
59.01020	0.6
59.01254	5.4
61.94571	0.8
69.03317	1.9
69.31024	2.6
69.31451	2.7
71.01261	1.5
73.21799	0.7
80.91550	1.3
83.79324	0.6
85.02805	2.0
87.00766	1.0
89.03393	0.6
96.95908	5.7
98.95407	0.7
99.00763	1.1
105.03325	1.2
105.24113	0.7
113.02320	0.9
117.53014	0.7
123.04383	1.0
133.02838	1.2
135.04448	1.2
151.03917	2.9
153.01801	1.1
161.02362	11.6
176.04570	0.7
179.03424	82.3
180.03822	3.9
191.05548	2.5
194.05782	60.5
195.06125	4.3
209.08136	100.0
210.08484	6.6
275.09436	0.9
355.14902	0.6
371.13464	29.3
372.13806	2.8
396.93433	0.8
533.22620	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	6.3
59.01245	4.1
61.98710	3.5
70.67196	3.3
71.01247	3.3
73.02859	1.4
74.02345	16.1
82.02838	1.8
86.02351	6.1
87.05509	3.8
90.00056	2.2
96.95882	4.5
97.02779	1.6
97.03939	1.9
99.05504	11.5
101.07076	2.1
102.05497	2.3
109.03958	1.9
111.05507	1.6
116.01620	1.2
123.05485	1.8
126.01832	1.3
126.05308	0.9
127.05026	3.1
128.03430	38.2
128.04387	2.6
135.05519	3.5
141.06584	2.4
143.04523	47.5
145.06139	1.6
146.04492	4.5
153.06613	3.6
160.00612	10.8
166.09790	2.3
167.04526	2.1
167.08122	1.6
177.03261	2.3
179.04539	9.3
180.96191	1.0
181.06071	2.2
184.10844	1.3
185.05595	2.2
191.05516	4.8
192.05948	1.2
197.05615	2.4
209.11758	1.8
210.08855	10.3
242.07732	1.3
254.07816	11.3
272.05963	1.3
272.08875	20.1
288.06671	6.8
300.60071	1.1
306.07648	100.0
307.08093	5.8
525.14264	1.3
534.21161	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05077	0.2
55.01750	0.2
59.01250	10.4
70.66678	0.6
71.01252	1.8
72.99177	0.4
73.02822	1.8
79.95609	6.3
80.96390	3.3
83.01256	0.6
85.02829	0.9
87.00733	0.4
89.02308	0.7
90.13403	0.2
95.95100	0.9
96.95888	100.0
99.34633	0.2
101.02319	1.8
103.00252	7.7
113.02307	0.5
122.97475	0.4
124.96737	0.3
138.96991	1.1
150.61508	0.2
150.96962	0.6
152.98512	1.4
164.98541	2.9
180.98053	2.1
198.99171	0.3
222.99178	0.3
241.00226	4.3
256.99698	0.5
391.10718	0.4
431.13824	1.1
449.14841	69.7
450.15158	7.4
491.15915	34.8
491.23373	0.6
492.16339	4.8
502.74222	0.3
517.14142	1.3
535.14886	32.3
535.31024	1.4
536.15167	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	13.4
69.03316	0.5
69.25604	3.2
71.01235	2.8
72.99187	0.9
73.02825	1.5
77.52373	0.4
79.95609	11.9
80.96384	2.7
83.01241	0.4
85.02835	1.5
87.00774	0.5
89.02316	1.3
90.67924	0.5
92.51307	0.4
93.03316	0.7
95.95103	2.5
96.95892	100.0
98.20590	0.8
101.02338	1.9
103.00255	9.4
112.91454	0.4
113.02333	0.5
115.00464	0.4
122.97504	0.6
125.02424	0.5
135.04408	1.0
138.96964	1.7
150.96980	1.1
151.07500	0.6
152.98499	2.6
164.98547	2.5
179.03462	0.5
180.98013	2.7
191.05557	2.9
198.99141	1.8
203.02054	0.5
238.98770	1.0
241.00223	5.8
256.99698	4.3
259.01254	2.5
283.01270	0.5
299.00870	0.8
301.02432	2.1
373.26254	0.5
431.13541	1.0
449.14871	73.5
450.15134	9.2
450.21051	0.7
491.15952	39.3
492.16312	5.1
517.14044	1.5
535.14917	33.2
535.31091	2.7
536.15186	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62019	0.5
54.03397	0.5
57.03334	1.0
59.01252	100.0
60.01587	0.7
61.98698	4.4
63.91142	0.6
67.01777	0.6
69.03315	0.7
71.01255	11.6
71.53170	0.8
72.99188	0.5
73.02815	3.1
75.38167	0.5
78.95788	1.4
79.95615	0.6
83.01279	2.3
85.02823	7.8
87.00768	1.6
89.02328	2.7
93.03334	6.4
93.63026	0.5
93.81857	0.5
94.03668	1.0
95.01286	1.5
95.04902	0.5
96.95906	2.2
97.02851	0.7
99.00781	1.5
99.04428	0.6
101.02312	6.1
109.02860	0.6
111.00766	1.1
111.04472	0.9
113.02337	6.1
119.03391	0.8
121.02921	0.7
125.02323	1.1
127.03882	0.5
133.02879	2.0
135.04439	2.0
143.03403	1.0
159.02914	0.7
161.04512	3.6
173.04492	2.5
174.04834	1.2
175.53581	0.8
176.03958	0.6
177.01866	1.1
178.02684	0.6
183.10277	1.5
191.05548	6.0
191.07140	0.7
192.05872	0.8
211.13364	1.1
215.05614	0.9
229.22205	0.5
253.09247	1.5
281.17096	0.5
293.21375	0.9
307.22882	2.0
351.07254	2.1
445.15439	0.8
447.13687	2.3
453.32458	0.7
471.33240	11.1
472.33878	1.7
489.34381	15.2
489.41235	0.9
490.34512	2.5
531.22565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.6
61.98710	0.9
69.03336	0.7
71.01242	1.7
71.53821	0.8
72.04426	2.7
72.99197	0.5
73.02822	1.3
77.89789	0.5
79.95605	7.6
80.96391	2.4
83.20498	0.5
85.02814	2.2
87.00749	1.5
87.04360	0.5
87.44110	0.5
93.03326	3.0
95.95105	1.8
96.95889	100.0
97.02833	0.9
98.95481	0.8
101.02309	1.1
103.00246	1.0
110.97437	1.7
113.11637	0.5
119.04920	13.9
122.97482	1.0
138.96915	0.7
149.09601	4.6
150.96941	0.8
152.98509	3.6
161.04460	0.6
163.03928	7.3
163.34280	0.4
164.98509	2.7
171.02785	0.5
173.04439	1.4
179.03322	0.6
180.98064	2.4
181.12280	0.8
191.03951	0.9
191.05559	8.5
192.05888	1.5
218.35216	0.5
222.99146	1.4
225.11342	1.8
241.00211	25.8
242.00601	0.5
249.11134	0.6
256.99869	0.7
283.01328	0.9
291.12341	1.9
317.36002	0.7
322.02774	0.6
342.99979	0.5
369.15521	0.7
373.09622	1.6
391.10687	43.3
392.10986	4.5
433.11655	1.2
447.12967	0.6
459.09671	19.3
460.09912	2.8
472.12997	4.5
477.11044	2.6
489.14478	0.6
490.14151	1.2
532.14923	21.5
533.14764	2.5
533.20880	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.7
58.56489	0.9
59.01250	44.9
59.93287	1.1
61.98701	100.0
63.11236	1.2
68.42642	0.9
69.25952	1.0
70.88149	0.9
71.01232	5.0
71.54161	1.3
73.02812	1.6
78.95769	4.3
85.02825	2.6
85.83671	1.0
87.00777	1.0
89.02346	1.6
93.03337	1.5
96.95883	6.8
101.02341	2.8
108.54359	0.9
113.02341	2.6
133.02873	1.3
143.39891	0.9
152.99490	4.0
153.22563	1.1
173.04449	1.2
177.01778	1.6
177.12759	2.1
179.14307	1.1
183.10146	2.0
191.05496	5.8
195.39671	0.8
205.15735	1.2
213.52921	1.0
275.19949	1.8
276.27231	0.9
285.54843	0.9
307.22775	19.0
308.23102	1.8
351.07526	1.2
352.35330	1.0
383.24518	1.7
447.16495	1.3
473.35007	5.0
491.35931	5.9
514.24561	1.0
532.30780	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.4
55.12980	0.4
59.01249	10.9
61.98693	1.4
67.01756	1.1
69.03326	6.6
71.01249	7.5
71.53201	0.5
71.53577	0.6
72.01546	0.5
72.99174	0.7
73.02795	0.9
78.95763	1.1
81.73680	0.4
83.01259	1.0
83.04909	0.9
85.02827	4.2
87.00755	3.0
89.02316	5.8
90.04616	0.5
91.03900	0.5
93.03342	8.5
95.01250	0.7
95.04912	0.5
96.95888	1.4
97.02834	1.6
99.00765	2.7
101.02319	6.6
110.90539	0.5
111.04408	1.3
111.08027	1.0
113.02323	3.7
113.09608	0.7
119.03388	1.8
121.10105	1.0
125.02306	0.8
127.03894	0.7
128.38684	0.4
132.02077	1.0
133.02817	1.1
134.03613	1.0
135.04427	5.5
143.03378	1.1
151.00256	0.9
151.03836	0.8
160.01585	2.7
161.02344	0.9
161.04419	3.0
171.10139	1.1
173.04478	4.4
174.04654	0.6
177.01778	0.9
177.12738	0.5
178.02440	0.5
179.03413	1.3
179.05560	1.4
179.14359	1.0
185.00827	1.3
191.05544	29.7
192.05841	1.0
194.30516	0.5
195.13855	8.8
196.14380	0.7
205.12280	0.9
211.13187	0.5
223.13338	6.1
228.13576	0.9
242.02213	0.8
253.09267	30.8
254.09587	1.2
256.13049	0.8
270.01688	1.1
275.20145	5.9
276.20358	0.6
283.13379	2.4
293.21219	100.0
294.21564	9.8
301.13956	0.6
308.08954	1.1
327.16058	0.6
337.14178	0.7
351.07129	1.6
352.07797	1.0
384.06155	0.5
396.87985	0.5
447.13354	1.9
492.22397	0.8
525.63556	0.5
529.20178	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.5
61.98705	0.5
70.09966	0.4
70.10281	1.3
71.01252	1.4
72.99201	0.5
73.84220	0.3
75.00746	1.3
78.95778	18.2
85.02840	1.7
87.00757	0.6
89.02307	0.3
95.01270	0.4
96.96840	0.5
99.00769	0.8
99.21200	0.3
100.86398	0.3
110.66384	0.3
113.02325	2.1
114.02686	0.7
140.75101	0.3
148.32600	0.3
152.99484	4.9
164.75111	0.3
168.04228	2.9
191.05513	0.9
224.06889	7.8
225.07132	0.4
242.07898	1.4
249.06078	0.4
255.23273	100.0
256.23639	10.2
267.07193	0.5
279.23340	2.8
280.23645	4.2
281.10184	0.4
391.22330	0.4
480.30951	59.8
481.31271	10.1
530.30505	6.4
531.30554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	6.0
60.99188	1.6
61.98706	1.7
67.01752	2.7
69.03335	4.6
71.01250	4.5
71.53464	1.0
72.99176	2.7
73.02815	1.4
79.95606	1.3
81.03322	1.3
85.02818	12.2
87.00761	7.2
88.98710	0.7
89.02325	1.0
93.02764	1.4
93.03344	23.0
94.03652	1.3
96.95890	12.0
97.02853	1.2
97.06465	1.0
98.46470	0.8
98.95473	0.9
99.00758	1.5
101.02329	1.6
105.03406	0.8
109.02856	2.9
111.04394	3.9
119.01277	0.9
119.04876	1.0
121.02860	5.2
123.04401	1.5
125.02341	1.3
127.03899	3.3
128.00359	0.8
134.03645	1.0
135.04442	1.3
137.02347	4.3
147.00797	2.5
148.01581	1.6
149.02373	2.3
150.59547	0.8
151.03905	1.6
165.01825	2.1
166.02588	0.8
171.02945	1.5
173.04485	11.5
177.01834	1.2
179.03413	0.8
185.00832	2.0
191.05544	100.0
192.00592	1.2
192.05846	4.8
193.01221	1.4
196.83943	0.7
217.97618	0.8
247.04439	1.2
253.09383	1.0
277.14267	1.2
295.15665	1.7
346.16394	0.8
369.11884	3.1
447.79346	0.8
449.14728	3.6
481.17215	3.3
531.15570	3.1
531.27789	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2073
Annotation	Gomisin D
Peak:m/z	Relative Intensity
57.03320	1.3
59.01242	3.5
60.99181	5.4
60.99932	0.5
61.98692	1.4
65.03844	0.9
67.01763	16.4
69.03319	8.6
69.94800	1.2
69.95202	1.8
71.01253	6.0
72.99169	0.7
73.02831	0.7
78.95781	0.8
81.03344	2.9
83.04900	2.6
85.02829	2.0
87.00750	21.5
93.03334	100.0
94.03675	3.0
96.95875	1.5
97.02831	1.5
98.19881	0.9
99.00764	3.0
99.04399	1.5
101.02309	1.3
109.02885	0.6
111.04407	14.5
112.04742	0.8
113.02324	1.6
128.41185	0.5
129.01851	2.2
133.02892	0.7
134.03616	10.2
135.04411	6.7
143.03438	1.1
147.28119	0.5
155.03406	2.8
161.02374	0.5
172.05298	0.7
172.06802	0.5
173.04468	68.3
174.04822	2.5
177.01935	0.6
177.12775	2.9
178.22310	0.6
179.03407	0.9
185.00861	0.9
187.04138	0.5
191.05550	8.2
194.57687	0.7
242.02147	0.9
253.09204	3.4
270.01669	1.0
275.20242	0.9
283.13446	1.2
293.21219	7.2
308.08945	0.7
309.15192	0.7
351.07254	2.2
352.08240	0.6
355.15546	2.2
396.08011	0.7
432.10519	0.6
447.13608	1.6
529.20929	33.5
530.21381	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63354	0.2
55.84309	0.2
57.03324	0.5
58.00475	0.4
59.01251	9.1
61.31843	0.2
61.98702	0.5
65.60046	0.2
67.01768	0.5
69.03335	1.0
71.01254	6.7
71.54327	0.4
72.99187	0.5
73.02831	1.1
83.01260	0.9
83.04913	0.3
83.77782	0.2
85.02814	2.3
87.00751	1.4
89.02317	5.7
93.03340	3.3
95.01259	0.3
95.04890	0.4
96.95890	0.9
97.02814	0.6
99.00780	0.5
101.02322	6.7
111.04409	0.7
111.08044	0.5
113.02322	3.5
113.09620	0.3
119.03389	1.5
127.03866	0.2
129.01724	0.2
131.03412	0.3
132.02072	0.3
134.03590	0.5
135.04448	1.6
141.01857	0.3
143.03439	0.4
151.03946	0.4
160.01596	0.5
160.44585	0.2
161.02385	0.4
161.04485	3.6
173.04440	1.5
177.12805	0.5
179.03435	0.3
179.05556	1.2
179.14313	0.8
183.10283	0.3
191.05534	8.3
192.05867	0.3
195.13838	9.2
196.14287	0.7
198.79073	0.2
203.01859	0.3
205.12225	0.7
205.15793	0.4
211.13309	0.7
215.05591	0.3
221.68497	0.2
223.13329	6.1
224.13860	0.4
228.13573	0.9
231.21159	0.2
235.08179	0.5
235.81361	0.2
253.09264	32.3
254.09499	1.4
256.13199	1.5
265.21649	0.6
275.20132	5.9
276.20499	0.6
283.13477	0.4
293.21222	100.0
294.21558	9.6
299.02026	0.3
301.14444	0.2
330.09344	0.3
351.07230	0.7
352.88272	0.2
443.19357	0.3
453.68143	0.2
492.22180	0.6
529.17499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03291	1.6
57.89773	0.6
58.68338	0.6
59.00983	0.7
59.01241	3.7
60.99174	5.3
61.98706	8.7
67.01764	13.7
69.03330	7.8
69.75808	1.5
69.76218	2.4
71.01254	7.1
73.02815	1.0
78.95752	0.9
81.03322	2.3
83.04893	1.7
85.02824	2.4
87.00753	19.8
93.03336	100.0
94.03655	2.7
96.95866	1.8
97.02808	1.2
99.00758	2.4
99.04391	1.7
101.02341	1.0
108.02074	0.7
109.02824	1.4
111.04407	13.0
113.02345	1.7
121.02807	0.8
124.01568	1.9
125.02319	1.2
129.01837	3.1
133.02867	1.3
134.03641	12.3
135.04417	25.6
137.02391	1.2
141.01877	1.1
143.03423	1.1
151.03891	3.1
155.03409	4.0
160.01593	1.0
163.03870	1.0
173.04474	58.6
174.04831	2.8
177.01907	1.1
177.12764	1.7
178.02576	1.3
179.03410	5.2
180.04242	0.9
185.00722	0.9
191.05547	17.8
192.05925	0.9
194.15559	0.8
209.11832	1.3
242.02055	1.1
253.05190	0.7
270.01694	1.9
283.13498	1.0
290.08011	1.5
293.21231	1.7
306.07666	0.7
307.08350	4.3
307.11255	0.9
308.09012	9.8
318.05508	0.7
337.14413	2.2
351.07306	6.5
352.07990	11.4
353.08353	2.2
355.15652	1.8
355.68060	0.8
409.70874	0.9
409.76746	0.7
432.10675	0.8
447.13306	4.5
497.28027	0.8
511.16516	0.9
529.21167	15.3
530.20929	3.1
544.33191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42080	0.3
54.84773	0.3
55.01747	0.6
59.01242	1.2
61.98708	0.4
63.96091	0.7
67.01764	0.4
69.03323	13.4
71.01249	8.0
71.52663	0.6
72.99197	0.5
73.02836	1.7
75.00761	0.8
76.80596	0.3
78.98462	5.1
79.01747	0.3
79.95603	9.7
80.96389	56.8
81.03329	0.8
83.01244	0.5
83.04912	0.4
85.02828	3.5
87.00759	2.5
88.02153	0.3
94.97958	14.6
95.01250	1.2
96.95878	5.4
97.02829	9.0
99.00759	3.3
99.04387	0.4
101.02304	2.0
103.00258	0.4
106.97966	2.9
113.02331	0.7
115.00239	0.5
122.97464	2.5
123.00754	0.7
125.02337	2.8
127.03888	0.7
134.97479	5.1
135.04408	5.4
136.99068	1.6
141.01836	2.1
148.99052	5.3
152.98555	5.9
157.58246	0.3
161.02382	0.4
164.98540	10.5
165.98886	0.5
167.00024	0.4
179.00044	0.5
179.03424	5.7
185.00854	7.9
188.98520	0.5
191.05513	0.6
203.01910	33.0
204.02200	1.7
206.99658	2.5
209.11777	3.0
225.00697	16.7
226.00945	0.4
241.00258	0.7
255.02998	0.4
271.02448	0.5
275.94852	0.3
285.04123	0.6
299.04321	2.4
300.02625	0.6
301.03012	0.9
302.03763	0.5
333.95898	0.3
365.05112	6.8
366.05307	0.7
387.13333	0.5
441.14395	0.9
464.09201	1.3
480.70532	0.3
483.11755	0.6
499.47711	0.3
527.18011	100.0
528.18323	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08261	0.6
57.03325	0.9
59.01249	5.0
60.99162	1.8
61.65793	0.6
61.98692	2.1
67.01764	5.2
69.03321	4.6
71.01245	4.6
71.53778	0.9
72.99179	0.9
73.02808	1.0
78.95764	0.9
79.95592	1.5
81.03329	1.8
83.04902	1.3
85.02818	11.9
87.00748	9.0
93.03334	31.0
94.03684	0.9
95.01247	0.7
96.95879	12.8
97.02822	2.4
98.95471	1.0
99.00751	2.0
99.04419	0.8
101.02380	0.7
103.00235	0.7
109.02831	2.5
111.04393	5.1
113.02279	0.7
123.00806	0.8
124.01564	2.0
127.03878	2.5
129.01819	1.7
134.03656	0.8
135.04417	4.1
137.02374	0.9
141.01808	1.2
149.99512	1.6
151.00240	0.9
152.98515	0.7
153.01933	1.2
155.03438	2.0
155.10678	4.0
161.02296	0.8
165.01810	1.9
166.99741	0.8
168.00624	3.1
169.43242	0.6
171.03064	0.9
173.04474	22.0
174.04771	0.9
179.03419	2.7
183.02890	9.2
185.00890	2.2
191.05537	100.0
192.05853	4.4
196.08850	1.1
199.09732	2.3
203.01936	5.2
210.07056	0.8
213.09151	0.7
225.09055	1.1
237.09247	1.2
241.00246	1.4
251.06999	0.9
251.10703	3.4
252.11464	0.8
253.15894	1.1
257.08148	3.0
260.98199	0.7
265.08780	0.7
265.12457	1.5
266.13013	0.9
280.11050	2.1
281.15515	1.4
283.12100	1.4
309.15005	4.0
324.10062	2.8
325.10516	0.9
353.13913	43.0
354.14200	5.6
365.05081	1.1
430.12540	3.0
441.14490	3.3
483.15375	1.9
483.22482	2.4
527.19446	21.4
527.28479	2.5
528.19727	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.3
58.29647	0.7
59.01263	3.8
60.99182	5.7
61.98694	1.7
67.01758	14.6
69.03328	9.9
71.01250	6.2
71.19698	0.8
71.20026	0.9
73.02821	0.9
81.03340	3.1
83.04902	2.1
85.02827	1.3
87.00749	20.6
93.03337	100.0
94.03664	2.8
97.02827	2.6
99.00752	3.1
99.04381	1.9
102.14927	0.8
109.02846	1.9
111.03640	0.9
111.04399	15.5
113.02338	2.1
124.01580	1.0
127.03827	1.0
129.01840	2.3
133.02843	2.3
134.03635	10.4
135.04428	21.0
137.02324	1.1
139.04013	0.6
141.01807	1.1
143.03407	1.0
151.03934	3.1
155.03416	2.8
155.37431	0.7
162.03221	0.7
163.03880	0.8
173.04478	57.4
174.04837	2.7
177.12794	3.3
178.02623	2.4
179.03369	3.3
185.00879	1.1
191.05527	10.9
203.01920	1.2
242.02155	1.4
244.96269	0.7
245.00990	0.8
253.09315	2.6
255.10225	1.8
270.01740	1.2
275.20255	1.1
279.80301	0.7
280.09476	0.7
293.21176	7.2
294.21603	0.8
299.13217	1.0
307.08347	2.3
308.08997	9.0
309.09387	1.2
337.14453	1.2
351.07150	4.7
352.07974	9.0
353.08353	1.0
355.15567	0.9
432.10791	0.7
511.16342	0.7
529.21039	21.4
530.21454	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82668	0.6
53.17694	0.7
55.01766	1.2
55.67416	0.7
57.03322	2.1
58.00457	3.2
59.01250	82.6
60.01580	1.0
61.98675	1.1
64.29170	0.7
69.03331	3.6
70.87408	2.1
71.01254	62.8
72.01567	1.3
72.99187	5.1
73.02817	5.9
78.95795	1.8
79.95612	1.8
80.96410	1.2
83.01247	2.3
85.02834	9.3
87.00758	4.6
89.02316	100.0
90.02673	1.7
93.03326	3.6
95.01280	1.0
96.95886	24.5
97.02836	2.7
99.00766	1.1
101.02325	46.2
102.02665	1.3
103.00269	1.5
109.02885	1.2
111.04365	1.1
113.02324	11.1
114.88816	0.7
119.03428	6.6
119.04914	22.4
120.05235	1.2
123.00732	1.3
123.04378	0.8
125.02345	2.1
129.01776	0.9
131.03398	32.6
133.02859	1.0
134.03613	6.3
135.04424	2.4
140.18867	0.7
141.01799	2.5
143.03345	0.9
145.16725	0.7
149.04459	79.2
150.04799	2.3
161.02432	1.0
161.04453	1.7
163.03918	42.5
164.04243	3.4
166.02574	1.4
167.03401	1.4
173.04456	1.9
178.02643	1.6
179.03334	0.7
180.98093	0.9
181.05017	2.2
185.00876	1.3
191.05533	26.5
192.05910	2.2
193.04985	8.6
197.11765	1.9
199.07542	1.2
241.00214	3.1
281.08673	1.1
311.09616	1.1
439.12555	14.0
440.13080	2.0
481.13647	7.6
525.12286	7.0
525.20050	1.4
526.27393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.2
59.40941	0.8
69.03327	31.5
71.01253	4.4
71.39765	0.8
71.40112	1.0
72.99191	1.1
75.00714	0.7
79.01760	1.2
80.96392	0.8
85.02832	0.8
87.00730	1.1
95.01248	0.9
97.02238	1.3
97.02823	13.9
99.00759	4.9
104.15775	0.6
115.00240	1.4
123.00803	0.7
133.20013	0.8
135.04431	11.5
136.04691	0.7
141.01807	4.2
169.05208	0.8
179.03418	14.4
185.00833	22.8
186.01131	0.9
203.01906	100.0
204.02223	4.4
267.92139	0.8
275.69382	0.7
365.05099	25.0
366.05408	1.9
527.18201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.8
59.01244	3.7
61.98713	3.6
69.03326	64.1
69.25750	3.7
69.26180	2.4
70.03669	1.0
71.01253	7.3
72.99171	2.7
75.00723	0.9
79.01782	1.6
79.95592	1.1
80.96407	0.7
84.81547	0.6
85.02822	4.0
87.00746	2.5
89.02303	0.7
91.64678	0.6
93.03318	1.7
95.01276	3.9
95.13284	0.6
96.95892	15.4
97.02832	26.2
98.03191	0.9
99.00752	14.5
101.02320	1.2
103.00262	1.5
109.02834	2.5
113.02293	1.1
115.00262	1.9
123.00785	1.8
124.56445	0.7
129.01794	1.7
133.02849	1.5
134.03650	1.6
135.04416	32.5
136.04750	1.5
141.01813	11.3
151.00180	0.8
152.98631	0.7
153.01808	2.4
159.02916	0.6
161.02353	2.7
161.43527	0.7
179.03421	35.7
180.03751	1.6
185.00838	62.2
186.01219	1.9
191.05548	5.8
193.28703	0.7
203.01907	100.0
204.02255	4.7
232.50484	0.5
241.00198	2.6
243.06612	0.7
271.09845	0.7
311.68283	0.8
365.05115	46.7
365.55396	0.7
366.05496	4.5
441.05103	1.1
441.14212	6.5
442.14392	0.7
483.15613	3.0
527.14166	3.3
545.09753	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42596	0.2
59.00954	0.4
59.01250	7.0
68.99685	0.2
69.03342	0.8
69.80159	0.9
71.01244	1.4
72.99177	0.3
73.02818	0.5
73.99514	0.1
79.94609	0.1
79.95599	2.9
79.96031	0.2
80.96391	1.8
83.01270	0.2
85.02819	0.6
87.00745	0.6
93.03339	0.1
94.97989	0.2
95.95125	0.2
96.95888	100.0
97.02825	0.7
97.95803	0.3
98.20465	0.3
98.95470	0.3
99.00752	0.5
101.02325	0.9
103.00251	3.4
107.41782	0.1
107.71638	0.2
108.02082	0.3
111.00695	0.2
113.02339	0.6
119.93712	0.2
122.97468	0.5
123.00781	0.2
123.04456	0.2
125.02326	0.3
134.97472	3.2
135.04413	0.6
137.09642	0.3
138.96965	1.4
139.00278	0.2
141.01819	0.2
150.96968	0.6
151.00250	0.3
152.01030	0.6
152.98543	3.8
153.98863	0.2
155.10678	4.9
156.11087	0.2
163.00244	0.2
164.98553	0.3
166.96474	0.3
167.03436	1.0
178.99821	0.2
179.03384	0.5
180.98058	0.8
185.00795	0.6
191.05508	0.4
194.99617	1.2
199.07907	0.1
199.09668	2.8
203.01883	1.6
204.98009	0.2
206.93088	0.2
213.11159	0.2
222.99155	1.7
227.03636	0.2
241.00201	32.3
242.00526	1.1
283.01285	36.9
284.01556	2.0
285.04037	0.5
308.99191	0.4
327.00247	5.1
328.00333	0.2
365.05093	0.3
403.15942	0.2
441.10156	4.6
442.11084	0.6
447.10083	0.2
483.11749	13.1
484.12094	1.6
509.09503	0.7
527.10730	13.1
528.11011	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86099	0.5
59.01253	13.1
69.03327	0.9
70.44528	1.7
71.01254	2.8
73.02821	0.8
79.95599	4.4
80.96402	3.6
83.01244	0.7
85.02829	1.8
86.70220	0.5
87.00728	0.6
89.02324	0.9
93.03363	0.7
96.95887	97.1
97.02860	0.7
101.02318	2.3
103.00252	9.9
105.18044	0.5
113.02348	1.0
122.97414	0.7
138.97008	0.7
150.96954	1.3
152.98518	1.2
161.04474	0.8
164.98529	5.4
165.05531	0.9
180.98055	2.9
190.02443	0.5
191.05513	1.7
199.09489	0.5
241.00175	7.7
259.01303	1.0
279.06680	0.7
296.06985	0.7
339.08731	1.9
362.16910	1.5
363.17209	1.1
381.08847	0.9
395.10403	1.1
409.07965	0.8
421.11893	4.2
439.12781	100.0
440.13153	11.4
445.11414	1.5
463.12738	0.7
481.13831	43.7
482.14236	5.8
507.11841	0.8
525.12793	56.1
526.13080	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.5
59.00961	1.3
59.01249	23.8
61.98700	1.7
68.42650	0.5
69.03338	3.2
71.01255	4.3
72.26045	0.5
72.99181	1.5
73.02805	2.4
75.00717	1.4
78.95770	1.0
79.95586	1.3
81.03343	1.0
83.01236	0.8
85.02807	3.8
87.00747	1.0
87.04389	10.8
89.02323	1.2
93.03329	2.0
95.04885	1.8
96.95892	11.4
97.02822	3.1
98.20567	1.6
99.00758	0.8
99.04415	0.9
101.02338	3.1
107.04925	1.6
109.02836	11.5
109.06461	6.4
111.04418	1.0
113.02348	1.1
119.04923	7.4
119.72462	0.7
121.02837	10.5
122.03630	2.1
125.02316	1.7
127.07529	0.8
135.04428	9.7
135.08063	1.4
137.05980	46.2
137.09604	8.4
138.06316	2.0
139.07535	2.6
141.09073	1.2
151.11188	1.5
155.10681	48.6
156.11031	2.6
163.11191	0.9
165.12749	0.7
167.10692	1.5
169.12305	1.4
173.04500	1.1
177.09134	1.4
179.10687	4.9
181.04982	100.0
181.08347	4.4
182.05310	4.0
185.00850	1.8
191.05482	3.4
191.10657	4.1
193.12260	1.2
195.10234	2.7
199.09694	36.2
199.13307	1.2
200.10112	1.8
209.11615	0.7
213.11264	1.7
223.09767	1.3
225.11240	1.0
227.12857	0.7
229.25499	0.7
237.11304	2.0
241.00319	1.3
241.10771	11.9
243.29967	0.6
253.10837	2.7
255.12427	2.6
283.11859	19.0
284.12302	1.7
308.03156	1.3
325.09442	0.9
336.02637	3.1
343.13962	11.8
381.10101	1.0
407.11465	1.1
433.09412	1.3
439.11801	1.3
439.17334	3.6
451.10425	0.9
481.13373	1.3
525.19916	63.1
526.13666	1.2
526.20325	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04375	0.5
57.53992	0.4
59.01248	3.4
70.64286	1.3
78.95776	31.7
83.04903	0.5
93.03356	0.6
96.95891	3.9
96.96833	2.3
97.06466	0.7
113.09618	2.8
133.02808	0.9
134.20599	0.4
150.97968	0.8
152.99490	49.7
153.99841	0.6
157.08615	0.6
171.00540	3.6
171.10136	1.2
173.56905	0.5
177.12808	1.1
179.14340	1.8
181.12262	0.9
183.10172	1.0
191.05539	2.1
195.13828	22.4
196.14206	2.1
209.18776	0.5
227.03207	5.3
236.27173	0.5
240.16928	0.5
245.04257	2.1
277.21719	22.5
278.22006	2.4
290.15262	0.5
293.21204	1.3
294.21353	0.6
295.22775	91.8
296.23141	9.3
431.22028	2.1
437.18500	2.9
438.18384	0.5
479.19791	1.1
523.26740	100.0
524.27081	14.8
524.32837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.8
57.03324	2.8
58.00462	1.3
59.01250	25.7
60.99187	0.3
61.98698	0.5
62.01096	0.3
69.03323	0.8
69.18412	0.3
69.23005	0.7
69.23406	3.2
71.01250	33.1
72.01608	0.7
72.99174	2.5
73.02818	7.5
75.00745	0.8
79.95606	0.7
83.01254	4.4
85.02825	15.0
87.00748	2.0
87.04354	0.5
89.02319	12.2
93.03326	1.4
95.01254	3.1
96.95891	4.9
97.02835	0.9
98.19833	0.8
99.00747	3.6
101.02327	19.6
102.02679	0.6
102.81322	0.4
103.00277	0.4
105.45487	0.3
111.00780	2.0
113.02334	14.0
119.03401	4.9
123.08031	0.6
125.02356	0.8
127.11226	0.5
129.01816	1.4
131.03329	0.4
135.04379	0.9
137.02238	0.5
139.00185	0.3
139.11227	0.3
143.03374	1.0
149.04433	0.5
153.09093	0.4
159.02884	2.0
161.04469	5.1
163.03911	0.5
164.98622	0.4
169.12186	0.4
171.13829	1.3
173.04520	0.8
179.03438	0.5
179.05516	1.2
187.13339	0.6
191.05550	3.8
200.13979	0.5
201.14911	1.5
217.14282	0.4
261.59299	0.4
268.58517	0.3
301.03568	0.5
315.25592	0.3
332.11505	0.4
343.28378	0.4
359.28027	1.2
361.29572	20.6
362.29944	2.1
368.27176	0.3
426.02179	0.4
437.15421	0.4
447.75830	0.4
481.13882	0.7
521.33350	0.4
523.34857	100.0
524.35217	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.6
59.01256	4.4
70.44109	1.0
70.44433	0.6
71.01250	4.6
72.01582	0.7
73.02807	1.5
79.95631	0.7
83.01244	0.5
84.91129	0.5
85.02811	2.2
87.00748	0.6
87.04366	0.4
89.02333	2.9
93.03331	1.6
96.95887	5.4
101.02299	2.9
108.02048	0.7
109.02826	4.0
113.02304	1.7
119.03460	0.5
121.01994	0.7
121.02844	12.4
122.02831	0.6
122.03640	9.3
123.04503	0.9
124.01542	1.5
125.02367	0.7
129.03345	0.9
131.03328	1.0
134.03581	0.9
135.04413	1.6
136.05225	1.1
137.02368	3.2
137.09634	1.4
146.03653	0.8
147.04413	5.3
149.04483	1.2
149.05956	0.9
154.02644	2.4
155.10687	12.2
161.04497	1.3
161.05957	2.2
165.05481	23.2
166.05872	1.4
168.04141	0.6
175.07632	0.6
179.05550	0.4
179.07065	7.7
181.08727	0.5
191.05537	2.4
191.07108	0.9
199.09708	8.8
209.08078	0.9
223.09851	0.6
241.10793	1.2
244.37163	0.5
247.52060	0.5
260.04874	0.4
298.12408	0.7
301.12979	1.4
313.14380	1.1
315.12274	2.4
316.13004	0.8
346.14215	9.2
347.14163	0.6
361.16559	100.0
362.16882	12.5
366.05286	0.6
403.16016	8.0
404.16376	0.7
437.11017	2.3
463.21716	3.7
479.12378	0.9
485.54053	0.6
523.11475	0.5
523.20691	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2188
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01752	1.9
57.03316	2.0
58.00462	0.9
59.01250	24.7
67.86485	0.9
69.47031	4.0
69.47459	2.9
71.01254	21.5
72.99177	1.7
73.02824	5.4
79.95608	1.6
83.01260	4.0
85.02821	8.9
87.00757	2.5
89.02325	10.7
95.01253	3.1
96.95892	12.6
99.00769	2.9
101.02325	15.9
108.02052	1.6
109.02816	4.8
113.02326	7.7
117.00928	1.1
119.03397	3.5
121.02849	9.8
122.03651	12.2
122.53812	1.0
123.04443	2.0
124.01540	1.7
126.94393	0.9
129.01833	0.8
129.03387	1.2
134.03583	1.2
135.04424	2.3
136.05229	1.4
137.02322	2.7
143.03372	1.4
147.04420	5.7
148.05209	1.0
149.05980	2.0
153.01862	1.3
154.02628	1.8
155.10725	1.8
159.03079	0.9
161.06006	3.3
165.05489	27.4
166.05829	1.2
175.07471	1.0
178.99832	1.3
179.07039	8.5
191.05516	1.7
191.07079	2.2
197.38016	0.9
209.08044	1.6
223.09671	1.9
224.13530	0.9
272.24887	0.9
298.12350	1.3
313.14410	4.8
315.12427	2.2
316.13144	1.9
328.13052	2.1
329.13745	1.2
331.15527	1.3
343.15445	5.0
346.14227	11.9
347.14877	4.3
361.16541	98.5
362.16925	12.9
426.73276	0.9
443.10928	1.4
523.21844	100.0
524.22180	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29205	0.3
57.03312	0.6
58.00459	0.3
59.01257	2.4
61.98695	0.7
68.99673	0.3
69.03342	0.4
69.18709	3.5
71.01251	1.4
72.99174	0.3
73.02821	1.1
73.34796	0.3
75.00735	1.0
75.98638	0.3
78.95751	0.3
79.95590	0.9
85.02817	1.3
87.00751	0.4
87.04388	3.4
93.03337	1.3
95.04887	0.3
96.95892	4.4
97.02829	1.1
97.06485	0.4
99.04413	0.4
101.02332	1.2
107.03632	0.6
107.04911	0.7
111.04497	0.3
111.08038	0.5
113.02348	0.4
119.04940	1.7
122.06010	2.5
125.02312	0.3
133.02844	0.3
134.03661	2.4
135.04422	100.0
136.04755	4.3
137.09608	2.5
139.07556	0.7
151.11282	0.4
152.07088	4.1
153.07288	0.4
155.10689	13.7
156.11024	0.8
163.03949	1.5
163.11218	0.5
167.10652	0.4
169.12325	0.5
173.04507	0.5
179.03429	10.7
179.10706	1.2
180.03708	0.5
181.08623	1.6
191.05563	1.0
191.10747	1.2
193.04987	0.4
193.12263	0.4
195.10214	1.1
199.09697	16.6
200.10057	1.1
213.11240	0.6
223.06265	0.4
225.11243	0.3
237.11259	0.5
238.08728	0.5
241.00237	0.3
241.10768	5.4
242.11295	0.4
253.10797	1.5
255.12384	1.2
261.47345	0.3
270.11340	1.1
279.08899	0.4
283.11853	8.8
284.12268	1.1
307.06055	0.3
313.50549	0.3
313.78085	0.3
314.10315	0.4
326.10645	0.3
343.13980	4.8
344.14334	0.4
435.19067	1.7
437.15201	1.4
446.93381	0.3
449.14661	0.3
479.19247	15.7
480.19714	2.3
481.21167	0.4
523.17267	6.4
524.17468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	5.3
60.99214	0.5
67.01743	0.7
69.03340	1.0
69.40149	4.1
71.01255	3.5
72.99186	0.9
73.02815	1.0
75.00807	0.6
79.59226	0.4
79.95616	1.7
80.73705	0.4
80.96394	0.7
81.03313	0.7
83.01257	0.6
85.02829	2.8
87.00751	1.3
89.02322	1.2
91.01776	0.5
93.03329	3.3
95.95111	0.6
96.95889	16.8
99.00770	0.6
101.02335	2.5
103.00255	1.2
107.63293	0.5
108.02068	3.4
109.02838	83.2
110.03166	3.1
111.04411	0.5
113.02343	1.3
119.04912	1.6
126.90472	0.6
135.04404	2.2
135.08270	0.5
137.05962	0.8
153.01840	100.0
154.02199	4.0
155.10793	0.5
161.04492	0.5
163.03868	1.2
173.04524	1.8
174.93488	0.5
177.01848	1.6
178.02429	0.5
179.03568	0.5
181.04935	1.8
181.12254	1.7
191.05547	8.9
192.05965	0.9
225.11217	2.1
241.00406	0.6
267.12299	2.2
300.02661	0.9
309.13425	2.8
315.05121	1.0
361.29349	1.4
369.15482	3.4
370.15707	0.8
437.14865	10.6
438.15344	1.1
440.95377	0.6
465.76974	0.5
479.15991	4.4
506.71106	1.3
522.33295	0.9
523.15552	2.8
523.34601	4.6
524.17224	0.7
524.34741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83097	0.3
55.01737	0.6
57.03325	0.8
58.00463	0.8
59.01250	10.2
63.79113	0.4
69.03328	0.7
69.99004	0.7
69.99416	1.5
71.01253	9.5
72.99167	0.5
73.02812	4.4
85.02825	2.3
87.00769	1.0
87.04396	5.3
89.02312	7.2
95.01292	0.6
96.95887	3.2
97.02821	1.7
98.89918	0.4
101.01700	0.7
101.02320	8.6
113.02307	2.3
115.03902	0.6
123.08061	0.4
125.02373	0.8
131.03384	0.8
135.08055	1.6
137.09619	13.9
139.11191	0.9
143.03372	1.1
150.67328	0.4
151.11183	1.1
153.01831	0.6
155.10683	100.0
156.11032	5.8
161.04489	1.5
167.10649	0.5
169.12230	3.1
179.05504	0.9
179.10634	0.7
181.08609	3.5
185.11812	0.4
199.09689	84.1
200.09984	4.3
212.34404	0.4
213.11301	3.5
241.00098	0.5
241.10777	19.4
242.11061	1.6
253.10663	0.5
271.11844	6.8
272.12259	0.5
283.11768	0.6
301.12918	22.6
302.13345	1.7
331.96051	0.4
343.14041	1.4
361.15030	52.6
362.15363	4.4
437.11115	2.0
479.12363	0.7
523.20313	49.1
524.20691	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92872	0.3
57.03315	0.3
59.01251	6.7
61.98678	0.4
69.03320	0.3
71.01260	3.0
71.53560	0.3
72.99177	0.9
73.02814	1.0
74.28568	0.4
75.00730	0.8
75.61948	0.3
79.19701	0.3
79.95607	2.2
80.96380	0.7
81.03329	0.7
83.01263	0.6
85.02823	2.2
87.00758	1.1
89.02314	1.2
93.03326	1.9
95.95100	0.8
96.95887	21.8
97.02814	0.4
101.02339	2.2
103.00250	2.0
108.02049	2.8
109.02836	76.7
110.03163	2.4
113.02318	0.9
119.03391	0.5
119.04917	5.6
120.05318	0.4
126.90425	0.3
127.03889	0.3
135.04424	1.2
137.06018	1.3
137.32559	0.4
151.00397	0.4
152.07060	0.3
153.01846	100.0
154.02173	3.9
161.04605	0.4
161.06155	0.3
163.03925	2.7
164.98547	0.9
173.04468	1.0
179.03433	0.6
180.98022	0.5
181.04993	2.4
181.12296	2.2
191.05559	4.3
192.05913	0.5
209.11832	0.4
225.11292	2.1
241.00226	1.4
256.99637	0.4
267.12357	1.9
295.96396	0.4
300.02777	1.5
305.41736	0.3
309.13391	3.2
315.05084	2.1
325.44370	0.3
343.62164	0.4
361.29532	0.8
369.15521	3.8
370.15518	0.5
419.13788	0.4
437.14883	17.2
438.15134	2.1
471.38788	0.4
479.15872	7.7
480.16351	1.2
506.71106	1.1
522.33856	1.1
523.15436	4.0
523.34644	3.6
524.15802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1817
Annotation	gelsemiol-6'-trans-caffeoyl-1-glucoside
Peak:m/z	Relative Intensity
51.07971	0.6
55.01757	0.7
57.03312	1.2
59.01254	10.4
61.98702	1.7
63.54714	0.5
68.81866	0.6
69.24564	3.0
69.24981	2.0
71.01254	8.7
72.99190	1.5
73.02824	3.3
75.00742	2.4
79.95582	1.5
80.96403	0.8
83.01262	1.6
85.02813	5.3
87.00757	1.4
87.04362	0.9
89.02303	3.2
93.03345	2.2
95.01270	0.7
95.95136	0.8
96.35539	0.5
96.89908	0.5
96.95889	10.7
97.02855	0.9
98.95467	1.5
99.00741	1.5
101.02320	7.7
103.00241	1.3
107.04895	1.1
108.30379	0.5
109.02859	1.5
111.00751	0.9
113.02333	2.8
119.03383	1.1
129.35643	0.5
133.02875	0.6
134.03627	2.5
135.04411	100.0
136.04735	4.3
137.09679	0.6
138.16307	0.5
143.03470	0.5
153.01823	1.7
155.10683	3.4
161.04433	1.1
173.04478	1.3
177.01825	0.8
179.03416	99.3
180.03751	5.4
191.05550	4.3
199.09698	5.0
241.00241	1.2
241.10796	1.8
283.11893	2.3
343.13843	2.7
359.27704	0.8
361.29666	6.8
362.30206	0.6
437.10019	1.0
437.15146	1.3
445.05865	0.5
479.19077	1.6
517.62451	0.7
522.33386	1.3
523.18884	2.6
523.34802	25.0
524.35120	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1821
Annotation	Verbenabraside A
Peak:m/z	Relative Intensity
56.04830	0.2
59.01256	2.2
60.45306	0.2
61.98697	0.7
69.03333	0.3
70.41118	1.1
71.01254	1.2
73.02773	0.3
75.00749	1.5
78.98455	0.4
79.95603	0.6
80.96386	4.2
85.02832	0.7
87.00733	0.3
87.04398	0.8
91.05406	0.5
91.97644	0.3
93.03347	0.8
94.97970	1.2
96.95886	2.2
97.02839	0.4
98.95486	0.3
101.02339	0.6
106.59582	0.3
106.97923	0.3
107.04893	1.0
108.02056	1.2
109.02823	1.0
109.06380	0.3
113.02315	0.5
114.57006	0.3
115.14180	0.3
125.02319	0.3
134.03648	3.6
135.04416	100.0
136.04744	4.5
137.09579	0.6
152.01041	1.1
152.98518	0.4
153.01819	0.6
155.10692	3.7
164.98528	0.6
173.04553	0.4
179.03429	83.0
180.03772	4.3
181.08583	0.5
191.05591	1.2
191.10738	0.3
199.09706	6.0
225.00645	0.6
227.12889	0.4
237.11401	0.4
241.10808	1.9
253.10750	0.5
283.11893	3.3
343.13943	3.6
437.15112	0.5
476.21402	0.3
523.18390	12.9
523.26306	0.6
524.18640	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44332	0.6
55.01770	4.0
57.03317	4.1
58.00460	2.0
59.01249	44.5
60.01583	0.9
61.98701	12.4
69.03317	1.6
71.01252	47.2
72.01625	0.6
72.99179	3.6
73.02816	12.3
75.00742	0.7
79.95605	1.3
80.96400	0.7
83.01259	4.4
85.02821	20.0
85.11575	0.5
87.00752	3.2
87.04367	0.6
89.02316	18.6
93.03332	0.8
95.01264	4.2
96.95877	9.3
97.02821	0.9
99.00749	4.6
101.02323	28.2
102.02669	0.6
109.02843	4.2
111.00765	3.2
111.01392	0.5
113.02330	18.6
119.03391	9.2
121.10123	3.9
125.02324	1.0
127.11177	1.3
129.01799	1.6
135.04396	3.8
137.02321	0.6
140.62636	0.7
143.03372	1.0
144.07132	0.6
153.01830	5.4
157.12234	0.7
159.02875	2.1
161.02354	0.7
161.04462	8.7
161.05684	0.9
171.13829	2.0
173.04388	0.6
177.01859	2.6
179.03421	6.2
179.05432	1.0
180.03722	2.6
180.18636	0.6
183.13962	0.6
191.05545	2.7
194.05785	1.9
195.06137	1.9
201.14915	12.1
202.15215	0.6
209.08170	4.1
210.08498	4.4
241.00195	1.3
262.03403	0.6
338.90393	0.6
359.15265	0.7
359.28040	19.8
360.28378	2.5
363.20126	3.5
364.20413	0.6
380.00574	0.6
397.33212	0.6
435.09061	1.2
435.14319	0.8
453.94299	0.6
477.10559	0.6
491.32047	1.3
503.32483	1.0
519.31793	0.7
521.33313	100.0
522.33685	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98009	0.5
55.01764	3.2
57.03331	2.9
58.00470	1.5
59.01251	40.1
61.98689	1.3
62.78736	0.5
67.01765	1.1
69.03315	2.1
69.24911	5.5
71.01253	48.2
72.99175	3.1
73.02818	14.2
75.00749	1.8
79.95606	1.3
80.96395	0.7
83.01257	6.8
83.04900	0.9
85.02823	22.5
86.03143	0.5
87.00747	4.4
87.04343	0.7
89.02316	21.0
93.03332	3.8
95.01241	4.5
96.95884	10.6
97.02834	1.8
98.95473	0.5
99.00755	5.7
101.02322	34.6
102.02672	0.8
107.04877	0.9
108.02020	0.6
109.02836	5.4
110.95816	0.6
111.00761	2.7
111.04349	1.2
111.08044	0.7
113.02330	18.6
113.09599	1.1
114.02664	1.1
119.03397	9.7
121.02839	0.6
121.10106	1.9
123.04414	1.3
123.08033	0.7
125.02310	0.9
125.09567	0.8
126.90405	2.5
129.01820	1.7
131.03456	0.8
134.03578	0.7
135.04396	6.6
137.02301	0.8
141.12735	0.7
143.03389	2.4
149.04517	1.0
151.00294	0.7
153.01826	6.7
153.09096	1.5
154.02177	0.9
159.02885	3.4
161.04475	6.7
167.03401	4.2
167.10657	1.7
169.12271	1.0
171.13843	1.2
173.04497	1.5
177.01822	1.9
179.03406	0.6
179.05501	3.1
183.13748	0.6
187.13301	7.8
191.05540	11.4
192.05920	0.6
193.91957	0.6
198.36479	0.5
201.14890	4.4
208.46533	0.6
209.11723	0.9
228.04204	0.5
241.00224	0.8
242.02278	0.6
271.02692	0.6
297.24356	0.6
317.10330	1.7
329.27036	0.7
341.27124	0.8
359.28018	31.8
360.28464	4.6
363.20337	1.8
425.92487	1.0
440.94528	3.8
461.31155	0.7
479.19244	1.3
491.32022	1.3
506.21042	2.9
521.20575	3.4
521.33325	100.0
522.33600	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74213	0.3
55.01746	0.8
57.03305	0.7
58.00451	1.0
59.01252	24.0
61.19022	0.4
61.98703	14.0
67.01759	0.3
69.03316	1.3
71.01258	14.6
71.53828	0.5
71.60911	0.4
72.99181	1.5
73.02803	1.4
78.95771	0.6
79.95607	0.9
83.01251	1.3
85.02830	4.3
87.00734	0.9
88.73615	0.3
89.02321	8.4
89.59546	0.3
93.03336	0.6
95.01260	1.6
95.95143	0.3
96.95893	6.3
99.00747	0.7
99.48155	0.3
101.02332	7.5
113.02339	4.4
119.03369	1.9
141.15979	0.3
149.27974	0.3
161.04402	0.4
173.66190	0.3
185.11711	0.7
191.05548	3.5
192.05779	0.3
223.13324	0.5
224.13689	0.3
241.00186	0.7
252.33949	0.3
273.36948	0.3
309.24573	0.4
311.25873	3.6
312.26196	0.5
313.23853	0.9
323.25961	1.9
341.26938	23.3
342.27359	2.8
359.28040	9.2
360.28387	1.3
415.23376	0.7
435.14716	1.0
436.12900	0.4
445.20108	0.4
477.16196	0.4
479.19492	1.0
518.94775	0.4
521.33295	100.0
522.33649	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53889	0.2
59.01252	0.2
62.96295	0.5
63.97355	0.2
70.28323	0.5
78.95774	45.2
93.57188	0.2
93.81383	0.2
96.96839	6.4
100.22946	0.2
102.79723	0.2
111.65072	0.2
135.11717	0.2
145.39825	0.2
150.97926	1.7
152.99487	100.0
153.99817	1.4
171.00551	4.2
225.34727	0.2
279.23276	1.2
289.36356	0.2
392.85516	0.2
433.23575	20.7
434.23816	2.7
452.45544	0.2
520.26758	3.8
521.27362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51168	0.1
57.77436	0.1
59.01252	2.2
69.03324	0.4
69.51363	0.2
69.51775	0.7
71.01260	1.3
73.02824	0.3
79.95584	0.2
81.03315	0.5
85.02818	0.6
87.00751	0.2
89.02330	0.7
89.03848	2.2
90.04166	0.1
93.03332	0.5
95.01235	0.2
95.04933	0.3
96.95887	1.4
96.96895	0.2
101.02336	0.8
105.03343	3.6
106.03636	0.2
108.02054	0.2
109.02838	0.6
113.02319	0.5
119.03432	0.2
121.02866	0.3
126.90382	1.2
133.02858	8.2
134.03220	0.4
135.04430	0.3
149.02322	1.1
152.00858	0.1
153.01855	0.5
155.10699	0.3
161.04556	0.1
166.04852	0.1
177.01860	100.0
178.02199	5.2
179.03513	0.2
191.05519	1.1
199.09727	0.2
242.02153	0.3
314.04416	0.2
359.28085	0.6
425.92316	0.2
435.09546	0.2
440.94769	2.1
441.95215	0.2
461.31448	0.2
478.15714	0.2
479.19580	0.2
490.19739	0.1
521.21564	0.2
521.33392	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.8
69.03321	0.2
70.82806	0.2
70.83157	0.2
71.01253	1.2
73.02827	0.5
81.03327	0.6
83.01262	0.2
85.02817	0.6
89.02319	0.4
89.03838	2.3
89.04360	0.2
93.03342	0.3
95.04915	0.3
96.95868	0.7
99.00744	0.3
101.02328	0.7
104.02554	0.2
105.03348	3.4
106.03661	0.2
107.01266	0.1
109.02845	0.2
109.17149	0.1
113.02338	0.5
119.03445	0.1
125.80051	0.1
133.02849	8.9
134.03178	0.4
135.04379	0.1
143.03421	0.1
148.01567	0.4
149.02341	1.0
155.10693	1.0
159.02934	0.1
161.04446	0.5
163.06064	0.2
176.01108	0.7
177.01851	100.0
178.02194	5.1
178.03799	0.2
191.03906	0.1
191.05528	0.4
193.53799	0.1
199.09743	0.5
237.50916	0.1
241.00256	0.2
263.45865	0.1
315.18024	0.6
369.33902	0.1
461.23865	1.3
461.30972	0.3
462.24100	0.1
521.16602	6.1
521.33105	0.4
522.16986	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.1
58.00462	3.4
59.01250	100.0
60.01574	1.4
66.12698	0.8
69.62351	4.2
71.01253	67.4
72.01566	1.5
72.99188	4.0
73.02825	1.9
78.13709	0.7
83.01254	2.2
85.02822	9.0
87.00758	3.9
89.02316	89.9
90.02666	1.0
95.01255	4.9
96.95910	2.4
101.02322	41.5
108.02071	1.1
109.02861	2.5
113.02330	27.1
119.03388	40.2
121.02852	1.4
122.03596	1.0
123.04388	1.9
125.02323	1.3
131.03404	3.1
143.03400	9.1
149.04491	4.4
159.04427	3.3
160.05202	5.0
161.04466	5.1
161.05807	2.0
162.06839	0.9
163.03908	0.9
171.04448	1.4
172.05217	3.9
173.05965	3.6
175.07582	2.2
178.06244	1.0
179.05539	17.4
187.07495	1.5
189.05522	7.3
190.06305	8.1
205.08694	6.5
281.08215	2.3
282.08795	1.0
295.09671	1.1
296.10529	4.5
311.12952	5.5
341.13898	24.8
342.14337	3.4
386.25189	1.0
521.20221	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.5
57.03330	3.6
58.00453	1.1
59.01250	27.2
60.01592	0.5
69.03335	2.1
69.19622	0.6
69.19956	4.1
71.01253	37.5
71.78116	0.3
72.01602	0.6
72.99178	2.3
73.02816	8.6
75.00725	0.7
79.95612	0.6
80.96415	0.4
82.77729	0.4
83.01263	4.2
85.02822	15.5
86.03156	0.5
87.00720	2.3
89.02316	11.6
89.42026	0.4
93.03326	1.6
95.01272	3.3
95.04858	0.4
96.95898	3.1
97.02813	1.1
97.06467	1.1
98.20592	0.6
99.00753	4.1
101.02323	20.4
111.00751	3.1
111.04415	0.6
111.08030	0.6
113.02328	14.0
114.02624	0.4
115.88931	0.4
119.03391	5.4
122.05985	0.4
123.08034	2.6
125.02321	1.0
127.11162	0.7
129.01840	1.0
131.03410	0.5
133.02823	0.4
135.04416	1.1
137.09563	0.4
139.11214	0.8
141.09102	1.3
143.03386	0.9
155.10666	0.5
159.02930	1.9
161.02348	0.5
161.04486	5.6
169.12244	1.2
171.13785	1.6
173.04510	0.5
177.01874	1.0
179.03279	0.4
179.05528	1.3
187.13304	2.9
191.05547	4.3
195.06567	0.4
200.14130	1.0
201.14815	0.6
217.22168	0.3
241.00058	0.4
276.25394	0.5
283.76849	0.4
323.18948	0.4
341.26810	0.7
359.28015	27.5
360.28387	3.2
362.19501	0.7
394.17758	0.4
435.13144	1.3
446.17209	0.4
477.14349	0.4
483.46378	0.4
490.16687	0.4
521.33301	100.0
522.33630	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.7
57.03318	1.1
58.00469	1.0
59.01252	21.6
61.98700	0.7
67.01751	0.3
69.03333	2.7
69.64759	2.6
71.01250	14.2
72.99180	1.4
73.02813	1.4
79.95607	1.7
83.01253	1.4
85.02827	5.4
87.00736	0.8
88.06389	0.3
89.02320	8.8
92.99175	0.3
93.03343	0.9
95.01279	1.3
95.95099	0.7
96.95894	7.2
97.02828	0.8
97.06473	0.5
98.95507	0.5
99.00761	1.2
101.02325	7.9
103.60783	0.4
104.12865	0.4
113.02314	4.6
119.03383	1.6
119.04903	3.0
120.03677	0.5
129.01791	0.8
139.11127	0.7
141.01860	0.4
155.14302	0.4
163.03917	2.6
183.10226	0.5
185.00810	1.1
191.05539	3.9
192.05899	0.5
199.13173	0.5
253.09421	0.5
256.99765	0.8
283.19119	1.6
309.24353	3.3
311.22275	0.8
321.24554	0.9
339.25378	22.6
340.25809	2.6
357.22208	0.8
357.26471	11.6
358.26825	1.7
390.44550	0.4
437.14648	0.5
476.14966	0.4
477.17834	1.0
492.10608	0.4
519.31720	100.0
520.20026	0.8
520.32080	18.3
537.40515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	30.4
60.01580	1.2
61.98704	100.0
69.03328	1.9
69.34791	1.0
71.01255	9.2
71.53501	1.2
72.99198	1.3
73.02826	2.7
75.00776	0.8
75.81905	0.8
79.95595	1.1
83.01257	2.6
85.02824	4.2
87.00747	3.1
87.04393	0.8
89.02317	3.7
93.03332	1.4
95.01295	1.4
96.95892	14.1
97.02808	1.1
99.00744	2.6
101.02314	7.7
103.00249	1.1
105.03356	1.1
109.02831	9.4
113.02316	4.2
123.04460	1.3
127.03894	0.8
132.00093	0.9
133.02881	1.6
134.03638	2.8
135.04428	9.4
141.01834	0.9
148.87936	0.7
151.03941	1.8
153.01840	15.5
161.02336	6.8
161.04446	1.5
163.06006	1.5
176.03419	1.4
177.01884	1.9
178.02609	1.9
179.03419	39.7
180.03810	2.3
185.00827	0.8
191.05544	7.5
192.05768	0.8
193.05054	1.7
194.05774	36.7
195.06183	1.6
195.14539	0.8
201.14798	0.8
205.07205	1.2
209.08136	74.8
210.08502	4.4
241.00240	2.6
255.07745	3.6
359.27869	4.3
413.14529	9.4
414.14984	1.2
418.51703	0.9
435.08978	1.4
461.23822	3.0
476.14240	1.5
491.91971	0.8
503.19073	2.3
519.31885	2.0
520.14117	2.7
520.24457	2.5
520.32043	1.9
521.20447	2.3
521.33435	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84227	0.8
57.03299	0.9
59.01250	24.3
60.96677	0.8
61.98702	100.0
69.03320	2.0
71.01254	15.4
72.99157	1.0
73.02808	4.0
78.95768	0.9
79.95599	1.3
83.01249	2.1
85.02819	7.2
89.02315	5.9
93.03310	2.2
95.01248	2.2
96.95895	10.8
99.00784	1.6
101.02322	10.9
109.02814	5.3
111.00761	1.8
113.02332	5.9
119.03398	3.0
120.51246	0.9
122.99065	0.8
133.02869	0.9
135.04431	10.2
151.03917	1.4
153.01804	7.3
159.02942	1.1
161.02332	5.2
161.04445	3.1
173.04538	0.9
177.01831	3.9
179.03412	50.1
180.03745	2.7
187.99858	0.8
191.05469	4.5
194.05777	40.1
195.06143	1.9
201.14897	2.1
209.08121	82.7
210.08498	4.2
241.00212	2.7
330.52905	0.9
359.28101	7.9
363.19907	1.4
413.14511	10.0
418.25092	1.1
460.26355	1.0
521.20520	2.3
521.33405	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96287	0.2
71.45543	0.3
78.95773	41.9
89.99066	0.2
96.96836	5.9
150.97922	1.5
152.99483	100.0
153.99846	1.7
171.00537	4.2
279.23346	1.2
393.65503	0.3
404.54730	0.2
433.23566	23.5
434.23929	2.9
434.29388	0.3
520.26886	4.3
521.26971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.2
62.32809	0.2
71.53732	0.2
78.95776	43.4
96.96843	5.3
111.34547	0.2
131.15005	0.2
150.97939	1.4
152.99490	100.0
153.99834	1.6
170.99207	0.3
171.00568	4.2
277.21741	0.6
422.90244	0.2
431.22018	21.9
432.22354	2.4
507.73166	0.2
518.25305	3.4
519.26276	0.7
524.19952	0.3
537.88953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1506
Annotation	Loniphenyruviridoside D
Peak:m/z	Relative Intensity
51.95148	1.6
59.01256	19.6
71.01249	2.6
71.52799	2.1
93.03328	3.5
96.95905	10.9
123.35600	1.9
133.02953	1.9
135.04411	10.2
143.30609	1.6
145.02832	4.2
147.04446	3.4
179.03392	5.1
191.05519	5.5
207.08049	3.5
209.06090	2.2
223.07594	2.5
224.08296	8.2
235.07570	6.7
235.97256	1.6
236.08150	3.1
246.58830	1.6
251.07112	10.2
252.07817	5.3
263.07199	10.7
264.07840	17.9
265.05081	4.4
265.08499	5.5
267.06723	8.5
268.07404	31.6
269.07773	4.2
279.06668	8.9
280.07361	21.6
283.09741	24.5
284.10138	2.6
294.05341	2.7
295.06296	2.8
295.09756	4.2
296.06863	5.7
307.06171	6.1
308.06873	34.0
309.07553	11.9
312.06424	7.0
323.05753	3.7
324.06360	28.8
325.06686	2.1
327.08710	34.5
328.09030	4.2
339.08728	100.0
340.08884	9.0
357.09756	20.9
418.80902	2.1
465.30215	1.7
489.13998	12.4
490.14569	3.9
501.13892	21.6
502.14322	3.8
519.15076	30.3
520.15399	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.8
55.46115	0.4
57.03334	0.4
59.01251	100.0
60.01588	1.4
61.98708	1.2
63.70318	0.4
69.03333	2.2
70.31432	0.4
70.82414	0.8
71.01254	10.4
72.99199	1.1
73.02814	3.3
78.95775	0.5
79.95602	0.6
81.03355	0.5
83.01266	1.3
85.02816	4.5
87.00764	1.6
89.02315	5.5
89.02760	0.5
92.37556	0.4
93.03361	1.1
94.38586	0.5
95.01276	1.0
96.95878	8.1
96.96420	0.6
97.02831	1.2
98.95480	3.3
99.00769	1.5
99.04415	0.6
101.02323	7.8
103.00253	0.9
109.71124	0.5
113.02325	4.3
119.03387	2.8
125.02355	0.9
133.02895	0.7
135.04420	1.1
141.01804	0.5
143.03426	0.7
149.04454	0.6
150.17421	0.4
161.04474	2.0
173.04492	1.2
177.01855	11.9
177.03302	0.7
178.02277	0.9
179.03448	0.6
179.05556	0.8
185.00877	0.6
191.05537	4.7
192.05943	0.6
255.19823	0.6
283.19315	0.8
357.26495	3.5
399.23883	7.4
400.24405	1.2
417.24921	6.7
418.25247	0.7
433.11594	0.7
433.16281	4.0
459.25980	8.9
460.26407	0.9
475.17419	2.5
519.16022	1.9
519.31830	8.2
520.18665	0.5
520.31860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.2
55.78362	0.8
57.03324	1.8
58.00459	0.9
58.71506	0.7
59.01250	33.0
61.98711	1.6
69.03332	5.5
69.50452	2.6
69.50873	2.9
71.01252	17.9
72.99169	2.6
73.02818	3.9
75.00740	2.3
79.95603	6.4
83.01221	1.4
83.04878	1.6
85.02818	4.0
87.00741	2.7
89.02318	13.6
95.01263	1.6
95.04928	1.0
95.95101	2.3
96.95898	20.3
97.02834	2.9
97.06449	3.0
98.95461	1.4
99.00758	2.1
101.02320	16.6
103.00270	1.2
106.61582	0.8
107.05537	0.7
109.06478	1.5
111.00818	0.8
111.08038	13.6
111.24175	0.8
113.02327	8.9
119.03387	3.4
120.62272	0.7
121.02820	2.6
121.10152	0.9
123.08033	3.4
125.05982	1.9
125.09628	7.7
127.07553	1.5
131.03381	0.9
133.02852	0.8
134.77675	0.7
135.04366	0.9
137.09610	2.4
139.11159	1.6
141.09113	2.6
143.03436	1.3
143.07022	5.4
149.09619	2.2
150.61972	0.9
151.07550	3.2
153.09119	3.5
155.10677	3.0
157.08565	1.0
161.04472	7.6
165.12767	2.0
169.08614	61.4
170.08965	2.4
171.10187	5.1
179.05524	2.7
183.10201	9.0
185.00824	1.5
191.05513	3.2
199.09700	3.6
201.16402	1.0
203.01794	0.7
219.17471	3.7
219.91998	0.8
235.17030	7.6
235.49811	0.8
237.14970	1.8
241.04829	0.8
245.15462	1.8
248.13068	0.8
253.09256	69.0
254.09604	3.4
256.99753	3.5
263.16513	32.8
264.16830	2.9
281.17575	100.0
282.17905	10.6
342.99741	3.0
401.08853	1.7
431.17758	2.2
473.17850	0.9
517.17798	5.1
517.30658	4.0
518.17627	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.4
57.90593	0.4
59.01249	17.1
61.98696	1.1
67.01737	0.9
68.99677	1.5
69.03330	3.8
70.87258	0.8
71.01255	11.7
72.36146	0.3
72.99185	3.6
73.02808	1.5
75.00748	11.5
78.43659	0.3
81.03316	0.7
81.06971	0.4
83.01242	0.8
83.04892	1.1
85.02826	13.8
87.00752	5.4
89.02322	2.2
93.03333	3.7
95.01267	4.7
95.04903	0.7
96.95905	3.0
97.02813	1.1
97.42370	0.4
99.00761	5.9
99.04420	0.7
101.02335	1.5
103.00225	1.5
105.02529	0.4
109.02825	1.1
111.00752	0.7
111.04412	0.9
113.02331	14.9
114.02683	0.6
115.00258	1.3
117.01796	1.7
119.08545	0.5
121.02840	0.8
127.03889	0.4
129.01799	1.3
133.02855	0.3
134.03629	0.4
135.04483	0.7
135.11694	1.5
137.02315	0.7
137.09583	0.4
137.19852	0.4
137.61180	0.3
141.01869	0.6
149.02330	0.8
153.09146	2.7
157.01266	1.0
161.04582	0.4
165.01860	0.6
173.04475	1.7
175.02397	1.5
179.10703	7.4
180.11090	0.4
191.05559	15.0
192.05901	0.6
203.01874	0.4
205.07077	0.4
231.05122	2.0
249.06133	17.3
250.06413	1.0
260.96286	0.4
264.90744	0.4
267.07169	5.1
267.15994	12.4
268.16254	0.8
397.22305	0.4
431.09927	0.6
431.15326	0.7
453.53479	0.4
467.15137	0.6
473.16464	0.6
499.21692	1.8
517.22876	100.0
518.23218	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	2.2
57.03315	2.9
58.00445	0.9
59.01250	30.0
61.98698	1.7
69.03326	8.4
70.08605	0.8
71.01254	15.7
71.54456	1.2
72.99171	1.8
73.02825	3.8
75.00713	0.9
79.95612	9.7
80.96365	0.9
83.01239	1.5
83.04893	0.7
85.02812	5.7
87.00751	2.6
89.01814	1.2
89.02320	11.8
93.03324	1.9
95.01257	1.7
95.04912	1.1
95.95111	3.1
96.95890	31.2
97.02818	2.5
97.06543	1.0
98.95441	1.2
99.00728	1.3
101.01695	1.4
101.02322	16.1
103.00259	1.4
109.06467	1.6
111.08044	19.7
112.08427	0.9
113.02324	9.4
113.05950	0.7
119.03408	3.8
119.08678	0.8
121.02844	51.3
122.03181	2.9
123.08022	2.0
125.05962	1.4
125.09601	10.9
126.09865	0.7
134.03661	1.0
135.04407	1.3
137.09567	1.4
137.73123	0.7
139.07596	1.2
139.11169	0.8
141.01831	1.2
141.09103	3.6
143.03409	1.6
149.09529	1.0
151.07553	5.4
153.09146	1.2
155.10725	1.4
161.04449	7.2
165.09096	1.0
165.12804	1.5
169.08620	79.4
170.08994	4.1
171.10216	6.8
173.04417	1.0
177.03958	1.6
178.02715	1.2
179.05515	3.3
181.06485	3.2
183.10251	7.3
185.00836	2.5
188.67238	0.8
191.05547	5.2
199.09712	3.2
219.17525	3.5
223.13422	1.1
225.05501	3.7
235.08344	1.1
235.16957	5.7
237.14964	3.7
241.04866	1.2
245.15369	1.2
253.09271	62.3
254.09630	4.0
256.99734	9.7
263.16501	26.8
263.19302	0.9
264.16907	2.6
275.09262	0.8
281.17578	100.0
282.17929	9.9
313.07156	10.5
314.07404	1.3
325.40451	0.7
342.99820	2.0
357.06256	1.9
401.08774	36.2
402.09070	5.4
431.07690	0.8
517.17474	19.0
517.30176	4.5
518.18024	3.7
537.47235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.1
59.01247	12.6
61.03675	1.0
65.03838	1.1
69.03326	2.7
71.01254	4.9
71.53699	1.1
72.99182	1.8
73.02816	2.5
79.95603	4.4
80.96387	2.4
81.03328	1.5
83.01266	1.2
83.04898	5.9
85.02818	4.3
86.02372	1.0
87.00751	1.5
87.04394	5.2
89.02322	1.1
93.03340	31.3
96.95889	57.9
101.02306	7.4
103.00268	4.7
103.56778	1.1
109.02851	3.9
111.04396	23.5
113.02295	1.6
116.96180	1.0
125.25022	1.1
135.08052	1.3
137.02351	14.5
137.09615	13.0
138.96921	1.1
150.76657	1.2
155.03423	5.5
155.10686	82.0
156.10985	3.6
163.49182	0.9
164.98540	2.5
169.12244	4.1
173.04445	1.6
180.97987	1.4
181.08630	3.4
185.00903	1.1
191.05522	12.2
193.01193	1.0
199.09692	100.0
200.10017	6.9
213.11250	3.5
217.95477	1.0
221.92081	1.0
241.00119	3.1
241.10783	22.1
242.10869	1.0
271.11948	4.8
301.12930	21.5
302.13351	2.3
314.26730	1.1
361.14963	10.5
362.15036	1.6
413.14838	1.6
414.46490	1.1
431.16016	43.5
432.10818	1.0
432.16251	4.6
473.11288	1.2
473.17139	21.4
474.16992	2.5
517.19733	42.1
518.20221	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92813	0.4
55.01759	1.0
57.03321	5.2
59.01252	26.7
64.50143	0.4
67.01751	1.0
67.42902	0.4
68.99686	1.7
69.03325	9.0
71.01253	13.6
71.52879	0.7
72.99180	5.1
73.02805	2.7
75.00746	13.3
79.95606	1.0
80.96359	0.5
81.03345	0.8
81.06970	0.5
83.01260	1.3
83.04897	3.6
85.02820	17.3
86.03179	0.6
87.00751	6.5
89.02306	3.3
91.03841	0.6
93.03331	3.3
93.06941	0.5
95.01275	4.5
95.04907	0.6
96.95889	9.5
97.02818	1.0
98.95456	0.5
99.00753	8.8
101.02331	1.5
103.00227	2.7
109.02884	0.6
111.00764	0.8
111.04440	0.6
111.08047	1.5
113.02332	18.3
113.05969	1.4
114.02701	0.5
115.00297	1.4
117.01835	2.0
121.02878	0.6
127.03945	0.6
129.01828	1.5
130.99754	0.5
131.03432	0.5
133.10129	0.5
135.04346	0.7
135.11702	2.0
137.09610	1.0
139.00269	0.6
149.02400	0.5
155.07033	0.8
155.10818	0.7
157.01331	0.8
173.04494	1.3
175.02426	2.1
179.10709	6.0
180.10999	0.5
191.05540	12.1
192.05943	0.8
197.11765	1.0
205.07124	0.6
231.05028	1.5
249.06139	16.4
250.06459	0.7
267.07230	8.0
267.15982	7.0
268.16571	0.6
282.84970	0.5
403.10602	0.5
431.15982	3.0
473.17004	1.1
499.21692	1.7
517.22931	100.0
518.23273	16.4
518.28961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96614	0.1
55.01754	0.2
57.03325	0.2
58.00485	0.2
59.01249	5.3
69.03326	0.1
69.27655	0.6
71.01253	4.8
72.99190	0.3
73.02811	1.1
75.00751	0.2
76.63931	0.1
78.95768	0.1
83.01253	0.6
83.04910	0.1
85.02825	1.1
85.03300	0.1
87.00740	0.6
89.02313	3.6
91.03890	0.2
92.26227	0.1
93.03331	0.1
95.01269	0.3
97.02817	0.2
99.00761	0.2
101.02323	4.4
103.03934	0.1
112.06858	0.1
113.02323	2.0
115.03915	0.1
119.03378	0.9
125.02341	0.3
131.03345	0.1
133.04964	0.3
143.03371	0.3
149.04442	0.1
152.99501	0.2
157.04958	0.1
161.04462	1.6
179.05528	0.6
187.06044	0.1
191.05510	0.1
235.08218	0.9
253.09268	14.9
254.09610	0.7
261.22284	0.3
279.23279	100.0
280.23618	11.0
469.10300	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	54.2
61.98692	1.9
67.01756	2.1
69.03327	13.5
71.01258	10.3
71.54028	1.3
72.99172	4.1
73.02819	6.1
78.95779	0.9
79.95607	8.0
80.96380	3.3
83.01247	1.7
85.02819	12.4
85.05950	1.0
87.00746	4.6
89.02316	4.3
90.63436	0.9
93.03338	10.5
95.01259	2.1
96.95889	100.0
97.02827	4.8
98.95455	2.7
99.00759	4.5
101.02335	9.1
103.00238	7.4
109.02835	1.9
111.04391	3.0
113.02339	6.3
119.03398	1.5
121.02845	3.8
123.00747	1.5
123.04302	1.0
127.03892	1.6
133.02821	2.2
134.03636	4.3
135.04424	5.1
137.02330	2.3
139.03918	1.0
141.01831	2.7
143.03380	1.6
147.00816	1.3
149.02344	3.2
151.03818	1.7
152.98532	1.2
161.02394	2.3
161.04407	2.2
164.98500	3.9
165.05450	4.1
173.04471	6.2
177.01822	2.6
178.02605	2.1
179.03392	2.8
179.05513	1.0
180.98024	2.2
185.00797	4.5
191.05540	57.8
192.05858	2.0
203.01872	2.6
215.05371	1.0
223.13301	1.0
225.07649	3.7
241.00075	6.6
241.04974	2.9
247.04617	1.0
253.18025	1.3
263.16611	0.9
267.65649	1.0
269.04489	0.9
275.09116	2.3
276.09674	0.9
281.17627	2.7
292.75156	0.9
293.10446	1.9
343.15503	0.9
377.06668	1.3
379.04431	1.0
397.22229	2.7
413.14795	1.4
415.23123	1.8
422.06558	2.2
431.15854	80.8
432.16226	10.1
437.08652	7.9
438.09143	1.5
447.08417	1.0
449.08517	2.8
449.14645	2.1
457.24350	1.2
467.15527	1.7
473.16977	35.3
474.17297	3.8
499.15100	1.7
502.61304	1.1
517.16071	19.6
517.29932	3.5
518.16058	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	10.5
60.01593	0.7
69.57282	1.1
69.57691	2.6
71.01244	2.1
73.02788	0.9
79.95602	7.5
80.96388	2.3
81.95172	1.2
83.01244	0.6
85.02812	1.6
87.00764	1.2
89.02293	1.0
95.95103	1.8
96.95885	100.0
97.94658	1.2
98.19801	1.0
98.95465	7.7
98.96175	0.9
99.00742	0.6
101.02330	1.9
103.00252	7.4
104.00587	0.6
113.02361	0.8
115.35217	0.6
125.02412	0.7
138.96930	1.5
139.98090	0.6
143.85605	0.5
150.96965	1.0
151.00230	0.7
152.98529	2.3
164.98547	3.7
180.97997	2.2
191.05487	1.0
197.22842	0.6
222.98929	0.7
241.00204	8.8
242.99794	1.6
256.99750	4.1
271.06091	0.6
283.01471	1.0
395.09875	0.9
409.11588	2.1
425.11713	0.6
427.12747	60.0
428.13156	7.2
451.44022	0.6
469.13666	34.8
470.14145	3.5
495.11819	1.1
513.12720	31.5
513.19983	6.7
514.13086	4.8
514.19952	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43590	0.1
55.01738	0.3
56.25906	0.1
57.03308	0.1
58.00454	0.3
59.01250	6.4
69.03306	0.1
69.27446	0.2
69.27863	0.7
71.01253	4.8
72.01573	0.1
72.99158	0.2
73.02815	1.2
74.32611	0.1
75.00758	0.1
83.01244	0.6
83.04876	0.2
85.02822	1.2
87.00748	0.6
89.02316	3.5
91.03867	0.2
95.01244	0.3
97.02812	0.2
99.00733	0.3
101.02321	4.5
102.23621	0.1
103.03866	0.1
113.02329	2.2
113.05956	0.1
115.03896	0.1
119.03396	0.9
124.23048	0.1
125.02322	0.3
127.07521	0.3
131.03366	0.2
133.04984	0.5
143.03363	0.4
145.05016	0.1
149.04440	0.1
151.41792	0.1
157.04991	0.2
161.04454	1.7
167.67145	0.1
179.05569	0.6
190.19589	0.1
233.22804	0.4
235.08115	1.0
253.09261	15.5
254.09647	0.9
259.20572	0.3
267.94699	0.1
275.20187	0.3
277.21710	100.0
278.22055	11.4
513.22614	0.1
533.48077	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.4
57.03329	0.1
57.79596	0.1
58.00476	0.3
59.01250	6.4
60.40285	0.1
63.10528	0.1
69.03339	0.1
70.03617	0.4
71.01253	5.3
72.99171	0.4
73.02821	1.1
74.00632	0.1
78.95809	0.2
83.01260	0.7
83.04886	0.2
85.02828	1.3
85.03295	0.1
85.99987	0.1
87.00751	0.7
89.02318	3.8
91.03893	0.3
95.01254	0.5
97.02842	0.2
99.00766	0.4
101.02321	4.9
102.02734	0.1
103.03943	0.1
113.02338	2.2
115.03868	0.1
119.03385	1.2
125.02354	0.3
127.07570	0.2
131.03378	0.1
133.04942	0.2
143.03427	0.6
149.04510	0.2
152.99524	0.1
157.05006	0.1
161.04465	1.9
179.05550	0.6
199.43993	0.1
233.22668	0.3
235.08139	0.9
235.32657	0.1
253.09262	18.5
254.09676	1.0
259.18280	0.1
259.20551	0.5
275.20139	0.3
277.21710	100.0
278.22052	11.4
321.47238	0.1
361.40634	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.5
60.01606	0.1
61.98702	100.0
62.98400	0.3
69.68586	0.1
72.95523	0.1
74.66454	0.1
96.23435	0.1
96.95887	0.8
125.37502	0.1
148.47908	0.1
157.07375	0.1
191.05579	0.3
202.34160	0.1
203.47672	0.1
241.11433	0.1
424.43588	0.1
424.88065	0.1
428.13077	0.2
429.14386	0.7
452.33734	0.2
453.33600	0.3
454.33908	0.7
454.40152	0.1
466.12393	0.1
471.15497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	13.7
61.98690	1.9
69.21547	2.1
69.21975	6.5
71.01244	3.1
73.02805	1.9
79.95610	5.0
80.56054	0.7
80.96381	3.3
85.02811	2.1
93.03284	1.0
95.95084	0.9
96.71962	0.9
96.95889	100.0
97.98363	0.7
101.02291	2.6
103.00250	7.2
113.02302	1.1
135.04399	0.8
138.96956	0.9
150.96988	1.3
152.98485	1.7
164.98538	3.6
173.08047	1.2
180.97997	2.5
191.05481	3.5
241.00249	7.2
411.13138	1.1
429.14337	99.1
430.14636	9.2
471.15408	44.3
472.15979	4.4
497.13510	0.9
515.14246	28.3
516.14606	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	15.0
61.98701	0.5
65.16160	0.4
69.03320	1.0
69.25905	2.9
71.01254	6.4
72.99186	1.1
73.02821	4.4
79.95607	7.9
80.96390	6.0
81.28737	0.3
83.01269	1.6
85.02821	3.3
87.00747	2.6
89.01104	0.3
89.02312	2.8
93.03319	0.6
95.01267	0.6
95.95112	1.8
96.95888	100.0
97.02831	0.4
98.20570	0.8
98.95465	1.3
99.00748	0.6
101.02323	7.5
103.00256	6.5
113.02328	2.1
119.03392	1.6
120.48628	0.4
122.97437	0.5
125.02312	0.7
129.01805	0.8
131.03429	0.6
132.46587	0.4
136.13710	0.4
138.96953	0.8
141.01883	0.3
143.03371	0.4
150.96997	0.6
152.98534	2.0
153.00604	0.3
161.04433	0.5
164.98555	9.1
167.10683	2.6
180.98067	2.1
185.11766	2.0
191.05539	2.8
203.01840	0.7
222.99290	0.4
225.00725	0.7
241.00218	5.6
242.00710	0.4
256.75308	0.4
256.99725	1.4
283.01215	0.9
285.02966	0.6
347.17093	2.5
389.18121	3.3
409.11826	2.4
427.12708	23.4
428.13013	2.8
441.14420	2.0
469.13815	68.6
470.14200	8.3
484.02847	0.4
495.11688	1.4
513.12769	18.8
513.20099	25.2
514.13104	2.9
514.20538	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15256	0.5
55.34441	0.6
59.01252	15.3
61.98704	0.7
65.02416	0.5
67.01776	0.6
69.03335	1.3
71.01253	6.1
71.45050	0.9
71.45393	0.9
72.99161	1.2
73.02821	5.2
78.95759	0.6
79.95609	13.5
80.96391	5.7
83.01265	1.1
85.02819	3.3
87.00746	2.2
89.02316	1.7
91.55362	0.5
93.03339	1.5
95.01265	3.6
95.95089	2.0
96.95892	100.0
97.02812	1.7
98.95480	2.4
98.96249	0.6
101.02327	6.7
102.94596	2.4
103.00261	7.4
107.01289	3.8
109.02836	13.7
113.02333	1.0
115.03896	1.0
118.94093	2.7
119.03432	0.8
120.95689	0.8
123.00787	4.8
124.01540	2.3
125.02357	7.8
129.01846	1.4
135.04420	0.9
138.96962	1.5
143.03415	1.0
149.09731	0.9
150.96974	0.8
151.00276	26.1
152.00609	1.2
152.98538	1.5
153.01843	17.0
153.09126	0.9
155.10684	1.3
160.95169	7.9
164.98540	8.3
165.98869	0.8
166.99792	1.8
167.10724	3.2
168.00429	2.0
169.01337	37.5
170.01700	1.2
173.04550	0.8
180.98059	1.8
185.11732	2.4
191.05573	6.3
199.09741	1.3
219.04778	0.7
222.99350	0.9
241.00261	5.5
241.10852	0.8
256.99677	0.8
283.01361	1.9
283.11819	0.7
338.16635	0.7
347.17020	0.7
389.18243	1.6
409.11694	1.7
427.12610	20.0
428.13177	2.6
441.14319	1.2
469.13687	57.3
470.13992	6.5
490.23962	0.7
495.11856	1.6
513.13538	12.6
513.20416	7.1
514.13654	2.5
514.21167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11123	0.8
50.25049	0.7
52.43060	0.9
59.01256	12.5
61.27454	0.9
61.98704	2.4
62.81661	0.9
69.03307	1.7
70.37122	3.8
71.01230	2.2
72.99178	1.1
73.02783	3.8
75.96745	0.9
78.95762	0.8
79.95615	5.3
80.96364	3.2
85.02820	2.4
87.00742	1.1
89.02316	1.9
89.64438	0.9
93.03311	2.1
96.95887	100.0
97.02806	1.3
97.06440	2.0
99.00753	1.6
101.02312	2.8
103.00251	8.5
108.02058	4.3
109.02839	14.4
113.02269	1.2
113.74875	0.9
123.04334	2.9
125.02348	1.2
134.03572	1.1
135.04395	7.2
141.05423	2.2
152.00984	1.6
152.98520	1.7
153.01843	16.8
159.97325	0.8
160.03912	1.2
164.98566	5.4
173.04430	1.0
180.97917	2.4
191.05569	6.6
241.00166	9.5
256.99722	1.4
408.87479	0.9
409.11368	1.7
427.12756	81.7
428.13065	7.5
449.14017	1.1
469.13806	47.1
470.14236	5.7
495.12045	1.5
495.18781	2.1
513.12622	43.3
513.19379	2.5
514.12927	5.9
536.01105	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.2
56.94837	0.7
57.03325	2.5
58.00458	1.9
59.01255	12.2
62.99546	0.9
65.29990	0.9
69.03327	2.7
69.29359	4.3
69.29793	3.5
71.01254	8.1
71.04874	0.9
72.99187	1.6
73.02810	6.2
79.95629	1.0
81.03322	1.0
83.01257	1.9
83.04916	1.5
85.02828	7.9
87.00732	1.8
87.04391	21.5
89.02300	0.8
93.03360	2.1
95.04900	0.9
95.95140	1.0
96.95890	12.4
97.02800	3.9
98.19841	2.0
99.00748	1.1
99.04383	3.5
101.02325	4.5
103.00284	1.9
108.02048	7.2
109.02859	7.7
109.06476	1.4
111.08085	1.0
113.02336	2.3
119.04917	18.2
120.05287	1.1
121.02836	0.9
122.03633	26.1
123.04421	34.0
124.04733	2.7
125.02368	2.3
125.05954	1.6
127.07565	1.5
135.08066	4.3
137.02339	5.2
137.05992	1.1
137.09621	18.7
139.07518	3.0
139.11154	1.4
141.01823	0.9
145.02841	3.1
149.02362	1.7
149.09569	1.2
151.11180	1.4
154.15974	1.0
155.10686	100.0
156.11009	5.1
159.39934	0.8
163.02571	1.0
163.03922	19.9
163.11177	2.8
164.04291	1.0
165.09045	1.7
167.10677	1.4
169.12181	2.7
179.10690	7.3
181.08611	6.7
181.12248	1.1
185.00815	1.2
191.05554	2.2
191.10696	4.6
193.08653	1.4
193.12260	1.8
195.10222	4.4
199.09691	45.3
200.10048	2.4
203.01941	1.6
205.56879	1.0
213.11324	3.2
216.12401	0.9
223.09714	1.6
225.11212	1.0
226.38513	0.9
237.11342	1.2
241.10750	10.6
253.10780	3.2
255.12375	4.4
283.08923	1.5
283.11874	18.9
284.12198	1.9
317.42838	0.8
343.13876	2.7
349.16470	1.7
415.86758	0.8
425.11002	3.0
433.67090	0.9
467.12405	5.8
467.19159	86.7
468.13342	1.5
468.19580	12.8
493.17001	3.2
511.11975	2.8
511.18198	62.7
512.18518	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03293	1.0
59.01258	4.8
61.98698	1.2
64.54359	0.8
69.03319	2.0
69.44415	6.0
71.01249	2.5
73.02803	1.7
83.04965	1.0
85.02811	2.1
87.04371	5.8
89.02298	0.9
92.23673	1.1
93.03332	1.7
96.95883	7.1
97.02836	1.4
101.02325	1.3
108.02055	32.8
109.02346	1.0
123.04399	12.0
136.96912	1.0
137.09630	4.8
148.17181	0.8
150.86107	0.9
152.01060	73.9
153.01355	4.2
155.10690	22.9
156.11023	1.3
167.03409	100.0
168.03758	3.1
169.12303	1.2
179.10725	1.9
181.08659	2.2
181.53590	0.8
185.00952	1.2
191.05397	0.9
191.10699	1.4
195.10144	0.9
199.09686	24.9
200.10028	1.6
203.01964	1.2
213.11156	1.5
214.19574	0.9
241.10802	7.0
242.32611	0.9
253.10695	1.4
255.12427	1.8
283.11853	13.8
334.75836	1.0
343.13895	5.2
381.81561	1.1
410.55844	1.0
425.14871	3.3
467.16199	1.5
511.17905	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35903	0.3
59.01249	4.5
61.98703	100.0
67.01746	0.4
69.03325	4.4
71.01263	2.2
72.01606	0.6
72.99186	1.0
79.95618	0.7
83.01250	0.6
85.02852	1.4
87.00774	0.7
89.02324	1.1
93.03340	1.4
95.01259	0.6
96.95885	7.6
97.02836	1.8
98.95435	0.4
99.00800	1.2
101.02365	1.0
103.00266	0.7
109.02892	0.4
113.02287	0.3
119.04912	1.7
131.03427	0.5
135.04430	0.8
137.02333	0.8
141.01822	0.5
147.63147	0.3
163.03893	1.8
166.02693	0.5
173.04512	0.8
179.03238	0.4
185.00777	1.6
191.05573	4.3
203.01910	2.1
229.92972	0.4
235.76913	0.4
241.00299	0.5
425.14963	4.4
450.23029	2.1
467.16220	1.7
474.48819	0.4
511.15326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00776	0.6
59.01245	12.1
60.13928	0.5
69.03329	2.5
69.44592	3.5
69.45011	1.4
71.01247	3.2
73.02810	3.0
79.95603	12.8
80.96389	2.6
81.40711	0.5
85.02814	1.9
87.00766	0.9
89.02310	1.3
95.95103	8.9
96.95884	100.0
97.02830	1.4
97.30462	0.6
98.95501	1.1
99.00742	1.0
101.02315	2.7
103.00256	6.7
113.02321	0.9
119.03396	0.6
119.04883	1.1
121.10065	0.8
134.97470	1.1
135.04445	0.6
138.96956	1.8
141.01833	0.8
150.96991	1.5
152.98526	2.7
163.03964	1.3
164.98511	3.5
165.09052	0.7
176.98540	1.0
180.98042	0.7
183.10236	1.1
185.00829	1.1
194.99641	2.0
197.01234	0.7
203.01897	1.9
222.99178	0.9
224.54985	0.6
225.00737	2.9
233.01006	0.6
233.65131	0.7
238.98547	1.6
241.00185	13.4
247.89783	0.6
256.99725	3.4
267.01752	2.1
283.01309	4.6
299.00848	2.6
327.00272	1.2
345.15823	0.7
387.16635	2.0
407.09995	1.7
425.10925	20.0
426.11240	1.7
467.12140	47.2
468.12457	6.0
493.10037	1.2
511.11090	16.8
511.17996	1.9
512.11603	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	25.3
61.98690	1.2
67.01762	2.8
69.03317	4.7
69.63109	0.6
71.01253	12.3
71.53965	0.8
72.99166	1.8
73.02819	10.3
79.95610	9.2
80.96389	4.1
83.01246	3.8
85.02826	4.3
87.00761	2.1
89.02309	3.8
93.03336	3.8
95.01267	4.5
95.95123	2.4
96.95887	100.0
97.02841	4.6
97.95824	0.7
98.95480	1.7
99.00745	2.5
101.02319	11.2
103.00253	11.0
108.02048	1.2
109.02847	4.5
111.04417	0.7
113.02344	3.5
119.03410	1.5
121.02856	1.1
121.10137	7.0
123.00765	6.5
124.01578	1.1
134.97565	0.7
135.04388	0.7
137.02359	3.1
138.96941	0.9
139.11156	4.4
141.01828	2.2
143.03381	1.1
149.02437	0.6
150.96985	1.4
151.00262	1.9
152.98564	1.6
153.01859	4.3
155.10629	1.8
161.04404	1.6
164.98541	3.4
165.09131	4.4
166.99770	7.2
167.03419	1.1
168.00568	1.7
169.01332	1.1
173.04433	0.8
176.98518	2.0
177.03957	1.0
180.98015	1.5
183.10184	2.7
185.00804	1.5
191.05492	2.0
199.09637	2.4
203.01843	2.6
207.10251	1.1
233.51685	0.6
238.98618	4.6
241.00188	3.5
241.13628	0.7
246.85637	0.6
254.32182	0.7
256.99680	6.9
283.01221	0.7
299.00772	8.6
387.16440	1.4
407.09872	2.1
425.10577	21.2
426.11282	1.8
467.12152	67.6
468.12561	8.3
493.10129	1.7
500.23801	0.7
511.11035	23.6
512.15448	2.3
532.79346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08044	0.4
59.01251	12.7
61.98702	2.7
69.03324	4.0
71.01263	2.4
72.07219	0.4
72.63618	0.5
72.99174	0.9
73.02837	0.7
76.82166	0.4
78.96567	0.4
79.95603	6.6
80.96404	3.0
83.01247	0.4
83.92758	0.4
85.02816	2.3
87.00738	1.0
89.02293	0.4
93.03343	1.6
95.95082	2.6
96.95890	95.9
97.02824	1.7
99.00752	0.8
101.02354	2.7
103.00251	7.0
106.75775	0.4
113.02319	1.1
135.04453	0.9
150.96959	0.8
152.98540	1.8
164.98546	5.4
165.12743	0.8
173.04437	0.6
179.03407	0.6
180.98053	2.8
185.00880	1.1
191.05519	4.7
203.01810	1.1
222.99164	0.7
225.00702	1.0
241.00256	5.5
256.99753	0.6
276.73355	0.4
304.98718	0.5
407.13681	3.3
408.14658	0.5
425.14868	100.0
426.15152	11.8
449.14667	0.6
467.15897	49.3
468.16336	5.9
487.95847	0.5
493.14111	1.0
511.14862	59.2
512.15204	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.5
65.67781	0.3
69.26011	0.6
69.26413	1.9
78.95779	9.0
80.60158	0.3
96.96825	0.5
148.21826	0.3
152.99492	15.1
153.99895	0.3
171.00612	1.5
219.92696	0.3
227.03174	2.9
245.04349	1.8
261.22250	0.5
279.23291	100.0
280.23624	10.9
280.26746	0.4
461.52872	0.3
507.27274	25.1
508.27594	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.9
57.03326	4.3
58.00457	1.2
59.01250	27.9
60.01580	0.4
61.98690	1.2
67.01763	0.8
68.99673	0.4
69.03324	3.3
69.25195	3.3
71.01254	59.4
72.01591	0.9
72.99171	2.5
73.02816	16.2
75.00742	1.1
78.95793	0.4
79.95606	0.9
83.01256	7.6
83.18108	0.3
84.02040	0.6
85.02824	29.5
85.99983	0.9
86.03181	0.6
87.00761	3.1
89.02316	13.3
93.03326	3.1
94.03665	0.5
94.27869	0.4
95.01260	5.0
96.95894	7.4
97.02832	2.2
98.19748	0.7
98.95474	0.4
99.00761	7.4
99.80594	0.3
101.02325	37.4
102.02659	0.8
109.02850	0.6
111.00771	3.3
111.04420	0.4
113.02332	23.4
114.02710	0.4
119.03399	3.9
119.04915	2.6
125.02333	1.6
129.01826	1.1
131.03336	0.8
133.02835	1.0
134.03638	0.9
135.04431	1.3
137.02321	0.9
137.09669	0.7
139.00323	0.4
141.01813	0.8
143.03384	2.1
149.04437	0.5
155.10651	0.7
159.02901	4.7
161.02327	1.0
161.04468	18.7
161.05827	0.9
162.04782	0.6
163.03917	1.9
171.13730	1.0
173.04463	1.3
177.01846	0.5
178.02655	0.6
179.03339	0.5
179.05525	1.3
180.06633	0.5
185.00822	0.7
187.07610	0.6
191.05545	4.8
199.09750	0.7
200.04738	0.5
201.05501	1.1
202.06334	1.2
205.03416	0.5
211.13390	0.7
219.15393	0.4
229.08670	2.3
230.09383	2.8
231.10065	0.6
241.00278	1.1
241.05148	0.5
275.09290	0.6
281.04501	0.7
283.01245	0.4
286.01022	0.4
299.25961	1.4
329.03098	0.5
336.02667	0.9
345.30099	9.7
346.30392	1.3
405.10117	0.4
407.11630	0.5
410.15558	1.0
421.14651	0.6
427.10550	1.9
431.07608	0.7
433.09210	0.7
442.15042	1.1
449.08786	0.8
449.14368	0.8
453.73038	0.4
463.63809	0.4
464.14209	0.8
465.14749	0.5
475.06604	0.4
490.69550	0.9
491.20139	0.5
507.13834	2.1
507.35370	100.0
508.35696	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01154	0.4
57.03326	0.6
59.01256	7.6
60.01553	0.4
60.75863	0.5
61.98705	100.0
69.03335	3.8
71.01244	2.5
71.53381	0.6
72.99203	1.1
73.02834	0.7
79.95618	1.4
85.02836	1.0
87.00744	0.7
89.02337	1.3
93.03339	1.1
94.10976	0.4
95.01290	0.8
96.95891	11.6
96.96517	0.8
97.02838	1.5
99.00755	1.0
101.02341	1.0
103.00269	0.8
113.02308	0.6
119.04913	1.0
125.02431	0.4
135.04390	0.8
137.02377	0.6
140.78065	0.4
145.49295	0.4
161.02455	0.6
161.13994	0.4
163.03940	1.7
164.98576	0.6
179.03412	0.6
182.04533	0.5
185.00894	1.5
190.89879	0.4
191.05513	5.4
192.51521	0.5
203.01895	2.6
241.00235	1.0
248.99272	0.4
273.02686	0.4
274.17542	0.4
348.18927	0.6
424.13394	0.7
425.14951	6.2
448.22702	0.7
450.23059	2.2
466.14590	0.7
467.15930	2.9
511.14777	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.7
59.24834	0.4
59.80039	0.4
78.95774	31.3
83.04893	0.5
86.42496	0.4
88.02834	0.5
96.96832	2.2
98.19811	1.4
150.97972	0.6
152.99489	43.4
153.99883	0.7
171.00534	3.0
227.03210	5.9
233.22650	0.6
245.04311	5.3
259.20599	0.6
275.20218	0.5
277.21713	100.0
278.22064	11.4
279.23328	0.8
280.23578	0.6
342.21930	0.5
374.28979	0.4
413.20883	1.4
431.22372	0.5
505.25726	58.5
506.26025	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2574
Annotation	Amoritin
Peak:m/z	Relative Intensity
50.04217	0.5
53.17647	0.4
59.01241	1.5
70.86932	1.1
70.87281	0.5
78.95776	14.2
80.01460	0.5
96.96856	1.5
106.48838	0.4
107.45252	0.4
112.95689	0.4
118.11474	0.5
124.34373	0.5
152.99484	23.8
153.99814	0.6
171.00555	1.9
189.91673	0.5
227.03253	4.2
245.04333	1.6
274.98370	0.5
275.20074	0.6
277.21713	100.0
278.22055	10.6
279.23288	1.8
280.23581	2.9
505.25714	38.7
506.25955	6.2
524.63708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.6
57.03316	3.7
58.00471	1.8
59.01250	32.2
59.25018	0.4
60.01584	0.5
67.01761	1.0
69.03332	1.8
69.46505	0.5
69.57499	2.6
71.01253	59.1
72.01598	0.9
72.99180	2.4
73.02818	17.6
75.00745	1.0
75.89039	0.4
79.95644	0.6
81.03375	0.4
83.01252	8.3
83.04911	0.6
84.02062	0.7
85.02822	27.7
85.99956	0.8
86.03171	0.9
87.00757	4.0
89.02317	13.9
93.03341	3.4
95.01257	5.0
96.95890	6.2
97.02847	1.5
98.19833	0.6
98.95464	0.6
99.00758	7.3
101.02323	34.9
102.02654	0.9
109.02875	0.5
111.00761	4.0
111.04356	0.6
113.02329	23.1
114.02667	0.7
116.98866	0.4
119.03389	4.4
121.10094	0.7
125.02332	1.6
127.11165	0.5
129.01840	1.5
131.03432	0.7
135.04436	0.9
135.11726	0.7
141.01830	0.6
143.03410	2.4
149.04420	0.4
159.02919	4.9
161.04460	18.0
162.04866	0.5
171.13799	3.6
173.03136	0.4
173.04420	2.1
178.99963	0.4
179.05504	0.9
185.15289	0.5
191.05539	8.8
192.05777	0.4
205.03482	0.5
209.11797	0.7
241.00148	1.2
250.02759	0.4
259.00702	0.4
298.00754	0.4
327.00433	0.4
333.19174	1.2
343.28506	6.6
344.28854	0.9
441.14597	0.5
442.68637	0.4
449.14291	0.6
462.14822	0.5
475.32761	1.6
484.14227	0.5
487.32919	0.6
490.19400	0.7
503.32184	0.9
505.33835	100.0
506.34131	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.3
57.03314	0.5
58.00459	0.5
59.01246	4.5
69.03320	0.5
69.39948	1.5
71.01251	2.5
73.02819	1.1
81.03375	0.3
83.04899	0.4
85.02815	1.8
87.00732	0.4
87.04385	4.8
89.02327	1.2
93.03337	1.3
96.95884	0.9
97.02825	1.0
97.06481	0.3
99.04377	0.5
101.02312	2.0
105.04445	0.2
107.75105	0.2
110.10915	0.2
111.04407	0.3
111.08024	0.4
113.02325	0.8
119.04914	100.0
120.05250	4.7
125.02330	0.7
131.03427	0.4
135.08049	0.6
137.09593	3.1
138.09935	0.3
139.07544	0.8
139.11230	0.3
141.09149	0.3
149.04457	0.7
151.11176	0.6
155.10684	17.5
156.11021	0.9
163.03914	56.9
163.11226	0.5
164.04259	3.3
166.96420	0.2
167.10683	0.6
169.12233	1.3
176.68513	0.2
177.09126	0.5
179.05420	0.3
179.10690	1.6
181.08629	2.6
191.05544	0.6
191.10727	1.6
193.12250	0.3
195.10150	1.1
199.09686	22.9
200.10052	1.2
213.11264	0.9
223.09709	0.7
225.11273	0.5
229.08597	0.3
230.09322	0.3
237.11316	0.7
241.10774	6.7
241.13171	0.5
242.11153	0.5
253.10800	1.6
255.12335	1.6
267.19592	0.2
283.11865	11.6
284.12158	1.1
325.13141	0.3
343.13956	6.6
344.14340	0.9
447.22250	0.4
507.18762	13.6
508.18716	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.3
59.01252	8.9
60.52668	0.2
67.01767	0.3
69.03325	1.2
69.36349	2.3
71.01250	3.3
71.04882	0.3
72.34621	0.3
72.99172	0.9
73.02824	1.1
73.52042	0.3
75.62009	0.3
79.95609	3.7
80.96394	1.1
81.03323	0.5
83.01234	0.5
85.02824	2.7
87.00738	1.5
89.02315	1.5
89.03862	0.3
93.03332	3.6
95.01270	0.4
95.95114	0.6
96.95889	100.0
97.02844	0.4
97.95824	0.8
98.95486	0.5
99.00809	0.7
101.02322	2.3
103.00269	4.0
105.03355	0.7
108.02045	1.0
109.02847	0.6
111.04383	0.7
113.02329	1.1
115.91914	0.4
116.92706	0.4
119.04868	0.3
122.97462	0.8
123.81642	0.3
125.02279	0.3
127.03911	0.4
131.03365	0.4
133.02844	2.7
134.03644	0.3
134.97484	0.9
135.04405	0.6
136.01572	2.1
137.02328	1.3
138.96983	1.1
148.05171	0.8
149.04605	0.6
149.05998	1.8
150.96924	0.5
152.98541	4.7
161.04466	0.7
164.98592	0.5
166.96443	0.4
173.04544	1.3
173.05820	0.3
177.01866	20.6
177.05470	7.2
178.02196	1.0
180.98007	1.9
187.03947	0.3
191.05563	8.7
191.10663	0.6
192.05843	0.4
194.99673	0.4
209.11798	4.7
222.99113	0.9
241.00212	30.6
242.00539	1.2
253.09253	0.9
255.10225	0.7
256.99606	0.4
258.00027	0.4
271.02701	0.3
273.08566	0.3
283.01270	6.6
284.01544	0.4
300.02725	0.4
327.00327	0.3
342.99747	0.4
385.12842	0.3
400.62485	0.3
418.98514	2.4
419.06528	34.1
419.98196	0.3
420.06821	3.2
420.13757	0.9
445.20999	0.6
460.99371	0.9
461.07535	19.8
462.07904	2.5
481.18842	0.8
487.05487	1.2
490.19461	2.1
504.98654	0.6
505.06573	11.2
505.17480	2.5
505.33414	0.5
506.06589	1.3
506.17566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.099
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.57370	0.2
53.12396	0.3
54.26782	0.3
55.01804	0.3
59.01243	3.3
61.98713	0.5
63.02257	0.8
65.00184	1.3
71.01246	0.9
71.08027	0.7
78.95796	0.4
79.95614	0.3
83.01250	0.8
85.02795	0.4
87.00744	0.3
88.12032	0.3
89.02322	0.5
91.01748	0.3
93.03333	0.6
95.95074	0.3
96.95897	3.2
101.02305	0.6
107.01260	2.3
108.02062	1.6
109.02852	1.8
121.02839	1.5
125.02342	0.4
128.03448	0.4
135.00787	0.9
143.04559	0.5
148.01526	1.6
151.00272	10.3
152.00732	0.5
159.04437	0.4
163.00275	3.3
164.01036	0.9
169.01340	0.6
173.05908	0.3
178.99812	4.5
183.04388	0.5
189.01964	0.3
191.05463	1.4
192.00529	0.5
198.03036	0.4
199.03915	1.2
201.01927	0.3
201.05505	0.5
203.03380	0.5
211.03926	0.8
215.03458	0.9
216.04285	0.5
226.02754	2.1
227.03479	3.3
228.03831	0.4
229.04883	0.6
239.03439	0.5
243.02956	11.8
244.03352	1.3
245.04514	1.5
254.02159	2.4
255.02962	28.0
256.03394	2.8
267.09906	0.4
271.02472	61.2
272.02921	6.1
272.08914	0.5
273.03922	1.3
283.02393	1.3
299.01993	1.4
300.02734	100.0
301.03455	41.5
302.03986	3.0
304.76941	0.3
404.87268	0.3
421.44052	0.3
461.07419	0.5
463.08829	2.4
464.09262	0.5
505.09888	54.5
506.10202	8.2
506.21976	0.6
506.29529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.7
60.83246	0.2
61.98708	0.3
66.79186	0.2
68.61947	0.2
71.53713	0.4
72.63667	0.2
77.03826	0.3
86.64438	0.3
88.49947	0.2
90.57216	0.2
108.12531	0.2
111.58183	0.2
120.30421	0.3
121.02844	100.0
122.03176	3.9
180.05702	0.4
180.68758	0.3
181.06511	3.7
191.05434	0.3
197.06033	2.6
207.04459	0.9
207.08231	0.3
223.03955	0.4
225.05531	2.3
251.06966	0.4
257.09705	0.8
285.09360	0.5
299.94513	0.3
301.08868	0.4
313.07211	5.7
314.07590	0.3
357.06238	1.2
359.40811	0.3
373.10635	0.4
383.07727	1.1
417.09824	10.0
418.10211	1.1
433.09506	0.4
461.12277	0.4
505.11432	7.2
506.11591	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66000	0.4
59.01249	13.3
59.93145	0.4
61.52812	0.4
61.98708	2.3
69.03316	1.4
69.26876	0.4
71.01253	6.2
71.21198	0.9
72.99189	0.7
73.02818	0.8
78.95759	1.9
81.03310	0.4
81.52629	0.4
83.01256	0.6
83.04900	0.7
85.02826	1.5
87.00757	0.8
89.02318	4.8
96.95897	1.1
97.02829	0.6
98.04639	0.4
99.00798	0.4
101.02312	4.6
101.31088	0.4
110.55295	0.4
113.02328	3.3
113.09573	0.9
117.79124	0.4
119.03390	1.0
119.04961	0.6
135.04433	0.5
143.03337	0.5
149.09621	2.0
161.04506	3.0
163.04005	0.5
167.10687	20.5
168.11055	0.9
179.05522	0.8
191.05559	2.2
203.06940	0.5
205.19545	0.6
249.18567	15.2
250.18925	1.2
253.09248	25.1
254.09630	1.4
267.19641	100.0
268.19995	9.2
407.48013	0.5
503.20438	1.2
503.32727	1.0
514.62238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96417	0.0
53.28806	0.0
58.00241	0.0
59.01249	0.4
63.66247	0.0
69.32362	0.1
69.32756	0.3
71.01259	0.1
78.95773	6.8
83.04885	0.1
96.96838	0.1
97.06463	0.0
98.19746	0.1
104.97283	0.0
127.77689	0.0
129.72125	0.0
141.19167	0.0
141.94109	0.0
152.99489	1.1
168.04219	1.7
169.04463	0.0
171.00481	0.1
224.06879	1.1
227.03308	0.1
242.07938	2.9
243.08308	0.1
245.04303	0.1
261.22281	0.5
262.22577	0.0
277.21729	2.1
279.23264	100.0
280.23596	10.9
462.48880	0.0
504.30942	6.5
505.25427	0.6
505.31415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68774	0.1
55.01748	0.1
59.01245	0.5
62.96269	0.1
70.18528	0.1
71.01247	0.2
71.53091	0.1
78.95774	24.6
79.38634	0.1
82.55288	0.1
83.04891	0.1
96.96811	0.5
104.97339	0.1
122.98405	0.2
127.07587	0.1
134.98413	0.3
152.99487	4.4
168.04221	3.5
168.05681	0.1
171.00513	0.1
189.13605	0.1
194.05846	0.2
224.06877	9.6
225.07190	0.3
227.03140	0.3
242.07939	2.6
243.08189	0.1
245.04254	0.1
261.22226	0.5
277.21722	4.8
279.23270	100.0
280.23608	10.7
382.81738	0.1
413.20813	0.1
504.30960	22.5
505.25491	2.4
505.31476	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3097
Annotation	LysoPE(0:0/20:2(11Z,14Z))
Peak:m/z	Relative Intensity
52.57662	0.4
59.01234	1.8
61.98693	0.9
62.96234	0.6
69.65710	0.5
71.01262	1.1
71.53338	0.5
75.00739	0.7
78.95773	21.1
85.02802	1.8
87.00742	0.5
89.02308	0.5
92.50068	0.5
99.00734	0.7
113.02310	2.2
121.99987	1.1
140.01093	5.2
143.37622	0.5
152.99472	2.0
191.05659	0.5
196.03734	13.1
214.04771	2.1
214.06622	0.6
249.06100	0.6
255.23297	4.9
267.07172	0.5
279.23282	1.4
307.26419	100.0
308.26801	12.9
444.33209	2.1
504.30981	27.2
505.30630	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
71.10037	1.0
78.95773	44.8
79.98699	0.6
96.96831	3.6
97.06496	0.6
150.97922	1.1
152.99486	56.7
162.72131	0.6
171.00551	18.9
205.30576	0.6
212.96739	0.6
227.03192	2.9
231.21118	38.5
232.21451	3.8
245.04277	100.0
245.19029	0.9
246.04579	3.7
275.20139	49.0
276.20508	5.4
503.24109	23.1
504.24423	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87544	0.6
59.01255	1.7
64.69264	0.7
71.08457	1.3
78.95773	47.2
87.81653	0.6
95.10984	0.6
95.92988	0.6
96.96841	2.9
101.37090	0.6
126.62941	0.7
131.04211	0.7
137.09552	0.7
152.99486	57.0
153.99809	1.2
158.14299	0.7
171.00555	18.4
227.03264	2.2
229.19632	0.8
231.21130	33.0
232.21434	3.0
245.04277	100.0
246.04630	2.9
247.05475	0.7
275.20145	41.3
276.20441	5.9
325.96512	0.6
503.24152	20.9
504.24234	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18567	0.4
57.61101	0.3
59.01250	100.0
60.01583	0.9
61.98713	0.4
63.35069	0.4
66.72350	0.4
69.03317	3.1
71.01270	2.1
71.54601	0.7
73.02839	0.4
76.91115	0.4
78.87608	0.4
83.21723	0.4
85.02838	1.2
87.00744	0.8
89.02325	1.0
93.03361	1.0
96.95881	2.8
97.02813	0.7
99.00782	1.1
101.02352	1.3
113.02366	1.1
114.47879	0.4
123.33459	0.4
125.54428	0.4
133.02876	0.4
135.04414	0.5
141.01826	0.4
161.04526	0.3
173.04480	0.4
184.65660	0.3
185.00970	0.5
187.07631	0.7
191.05522	3.5
203.07217	0.4
215.07150	0.6
221.06836	0.4
229.08643	0.4
253.09274	0.3
401.25562	0.8
406.12885	0.8
413.70468	0.4
417.12485	2.0
459.13483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01588	1.1
61.98692	0.3
69.03333	0.5
69.33710	1.8
69.34133	1.1
71.01253	1.8
75.91914	0.3
87.00758	0.3
89.02346	0.9
96.95905	0.8
97.60204	0.4
101.02335	0.6
113.02412	0.3
118.34985	0.3
138.41895	0.3
152.99559	0.3
171.10168	0.5
179.03447	1.0
181.18814	0.3
191.05612	0.8
194.05838	0.7
195.70898	0.3
201.42766	0.4
209.08206	1.3
220.28017	0.3
511.35925	0.4
526.50208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.8
57.03304	3.7
58.00462	4.1
59.01251	100.0
60.01579	2.8
69.03327	13.7
69.62953	9.3
70.03662	2.1
71.01254	80.3
71.31168	1.6
72.01584	1.6
72.35682	1.4
72.99168	5.4
73.02818	9.4
75.00755	2.2
79.95620	10.1
80.96398	1.9
81.03316	2.6
81.95157	1.8
83.01266	3.9
85.02821	19.3
87.00749	5.5
89.02312	64.6
93.03336	12.8
95.01266	4.7
95.95118	1.8
96.65302	1.6
96.95889	48.5
97.02834	8.9
97.95828	1.8
98.95472	23.7
98.96291	3.5
99.00753	7.5
101.02313	20.7
103.00260	6.3
105.15607	1.9
109.02837	3.0
111.04399	4.4
113.02337	20.8
118.51706	1.5
119.03391	5.4
125.02328	24.0
131.03403	17.2
133.02853	3.9
135.04362	3.5
139.03995	1.6
143.03352	5.6
149.04462	19.8
149.09616	33.8
150.09917	2.2
161.04433	7.0
163.03889	1.8
173.04500	8.2
179.05547	4.0
185.00793	3.1
187.70798	1.6
191.05527	27.7
192.05859	2.9
203.01906	2.0
221.06580	4.6
233.06657	2.3
238.98752	2.2
241.00084	2.0
256.99738	5.7
275.09418	2.4
293.08771	44.8
294.09033	2.3
299.01169	1.9
338.20071	1.8
342.99741	8.3
415.16357	3.7
416.16791	4.7
417.16458	38.0
418.16971	2.3
449.14429	3.6
459.17529	17.1
503.16220	16.8
503.32108	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	18.3
61.98682	2.2
62.75910	1.0
71.01258	10.6
71.52517	1.2
73.02823	1.2
78.95770	1.6
79.95614	6.3
80.23771	1.0
80.96392	4.1
82.90260	0.9
84.51982	1.0
85.02796	2.8
87.00740	1.5
89.02322	7.4
95.01266	1.2
96.95884	100.0
99.00744	1.2
101.02345	5.0
103.00256	9.6
113.02318	2.7
119.03367	1.4
149.26578	1.0
152.98433	1.1
161.04503	1.5
161.69475	1.0
164.98540	5.4
179.05495	3.1
180.98015	3.5
221.06633	5.0
241.00191	5.0
292.07654	1.4
311.09164	3.5
323.09219	4.3
341.10162	1.9
399.13089	3.4
417.14368	94.0
418.09311	1.5
418.14651	9.3
459.15424	46.6
460.15524	3.8
471.16583	1.7
485.13373	2.2
503.14355	37.2
504.14767	4.7
525.86273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1616
Annotation	fagopyritol B2
Peak:m/z	Relative Intensity
58.00465	5.2
59.01248	69.9
67.86789	2.1
69.03298	2.5
71.01251	100.0
71.41993	3.5
72.99178	7.8
73.02819	4.8
83.01261	4.1
85.02810	7.9
87.00744	6.8
89.02316	73.3
89.99764	1.9
95.01270	4.0
97.02814	6.0
99.00731	2.0
101.02323	27.7
113.02322	25.3
119.03398	9.2
126.85300	2.0
131.03389	6.7
141.78764	2.0
143.03371	6.3
161.04459	11.8
179.03377	3.6
179.05505	24.7
221.04539	3.7
221.06592	45.2
249.06061	4.5
255.95425	2.1
263.07617	3.6
294.31647	2.1
308.22498	2.1
323.09836	14.3
341.10941	3.7
409.05142	2.5
503.16110	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.8
57.03304	3.7
58.00462	4.1
59.01251	100.0
60.01579	2.8
69.03327	13.7
69.62953	9.3
70.03662	2.1
71.01254	80.3
71.31168	1.6
72.01584	1.6
72.35682	1.4
72.99168	5.4
73.02818	9.4
75.00755	2.2
79.95620	10.1
80.96398	1.9
81.03316	2.6
81.95157	1.8
83.01266	3.9
85.02821	19.3
87.00749	5.5
89.02312	64.6
93.03336	12.8
95.01266	4.7
95.95118	1.8
96.65302	1.6
96.95889	48.5
97.02834	8.9
97.95828	1.8
98.95472	23.7
98.96291	3.5
99.00753	7.5
101.02313	20.7
103.00260	6.3
105.15607	1.9
109.02837	3.0
111.04399	4.4
113.02337	20.8
118.51706	1.5
119.03391	5.4
125.02328	24.0
131.03403	17.2
133.02853	3.9
135.04362	3.5
139.03995	1.6
143.03352	5.6
149.04462	19.8
149.09616	33.8
150.09917	2.2
161.04433	7.0
163.03889	1.8
173.04500	8.2
179.05547	4.0
185.00793	3.1
187.70798	1.6
191.05527	27.7
192.05859	2.9
203.01906	2.0
221.06580	4.6
233.06657	2.3
238.98752	2.2
241.00084	2.0
256.99738	5.7
275.09418	2.4
293.08771	44.8
294.09033	2.3
299.01169	1.9
338.20071	1.8
342.99741	8.3
415.16357	3.7
416.16791	4.7
417.16458	38.0
418.16971	2.3
449.14429	3.6
459.17529	17.1
503.16220	16.8
503.32108	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91637	0.3
53.66891	0.2
57.83281	0.3
59.01250	100.0
59.62638	0.3
60.01592	1.7
60.99186	0.4
61.98710	1.0
69.03333	1.1
69.07030	0.2
71.01250	2.4
71.52775	0.3
73.02820	2.0
75.00720	0.3
79.95621	0.9
80.96402	0.5
83.01276	0.6
85.02837	1.1
87.00774	0.6
89.02339	0.4
93.03362	0.6
96.95891	8.9
98.95476	3.4
98.96397	0.6
101.02316	2.1
103.00282	0.5
113.02348	0.9
119.03440	0.3
131.03427	0.5
135.04454	0.4
149.04497	0.4
161.04478	0.4
163.03928	0.4
164.98532	0.4
171.02750	0.3
177.01849	0.4
191.05522	2.7
192.05975	0.3
193.74489	0.3
200.56564	0.2
253.68184	0.3
368.11069	0.4
393.85236	0.3
413.14676	0.5
414.14984	0.4
415.14975	5.7
416.14899	0.8
442.09918	0.3
451.78506	0.3
457.15839	2.1
501.15903	2.7
502.15771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90040	1.0
53.82504	0.9
59.01245	1.3
61.98703	100.0
71.01254	1.2
71.52982	1.1
71.53399	1.1
78.95782	4.3
88.76852	1.0
129.78827	1.0
196.03738	1.6
243.94229	1.2
279.23245	3.9
305.24844	9.0
306.25281	1.2
502.29556	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01578	1.4
67.31934	0.2
68.60460	0.2
69.03330	0.6
71.01254	0.9
71.33335	0.5
72.40105	0.2
72.99174	0.3
79.95623	0.8
83.01257	0.3
83.04876	0.2
85.02850	0.8
89.02334	0.6
96.95890	8.1
97.02855	0.3
98.95501	0.8
99.00784	0.3
101.02325	0.7
103.00288	0.9
135.04428	0.3
191.05542	1.1
193.06047	0.3
241.00238	0.5
243.00066	0.3
251.89856	0.2
401.70630	0.3
414.15634	0.4
414.65796	1.1
415.16464	4.2
416.16739	0.5
421.06009	0.5
435.66550	1.0
436.16309	0.5
456.67261	0.4
457.17868	1.6
457.66544	0.6
458.16016	0.5
465.28745	0.3
478.66727	0.3
500.66434	0.3
501.16159	1.4
501.23233	0.3
502.26749	0.7
503.60977	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
57.03349	0.6
58.54108	0.3
59.01249	100.0
60.01590	1.3
60.16003	0.3
61.98704	0.4
63.52563	0.3
69.03316	1.1
70.29527	0.7
70.29920	0.8
71.01254	7.0
72.99159	0.4
73.02807	2.2
75.00751	0.4
78.95767	1.9
83.01264	0.6
85.02819	2.5
87.00748	0.7
87.04434	0.4
89.02319	2.7
95.01270	0.4
95.42307	0.4
96.95886	1.2
96.96848	0.5
99.00768	1.2
101.02318	5.3
113.02336	3.1
116.80653	0.3
119.03424	0.7
125.02365	0.3
129.01814	0.7
143.03429	0.7
151.52017	0.4
152.31949	0.3
161.04440	2.5
173.49141	0.4
179.05583	0.6
185.48639	0.4
241.01245	1.6
265.18127	2.3
381.22894	2.6
399.23849	10.4
399.28885	0.7
400.24359	1.2
441.25131	1.5
501.31961	0.5
527.83386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70770	0.2
54.69691	0.2
55.06657	0.2
59.01250	100.0
60.01581	1.3
68.07179	0.2
69.03340	0.2
69.22049	2.1
71.01244	1.2
73.02820	0.7
75.00731	0.3
79.95608	2.1
80.96391	0.6
83.01274	0.4
85.02835	0.7
87.00754	0.4
89.02296	0.3
93.03352	0.3
96.95887	25.1
98.95477	0.3
101.02322	1.1
103.00243	2.2
105.83289	0.2
113.02329	0.5
114.74901	0.3
137.02397	0.4
161.04419	0.3
164.98537	0.9
173.04427	0.3
180.97987	0.5
191.05536	1.4
192.05815	0.3
241.00249	0.9
256.36960	0.2
342.99759	0.4
352.23395	0.2
370.48224	0.3
397.15662	0.6
415.16449	22.5
416.16760	2.9
457.17542	8.9
458.17957	1.5
483.15143	0.7
501.16486	7.0
502.17081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74824	0.2
59.01251	100.0
60.01582	1.0
69.03328	0.5
71.01258	1.4
71.01698	0.5
72.99191	0.4
73.02827	0.7
75.00762	0.3
79.95602	2.1
80.96391	1.0
83.01258	0.4
85.02831	1.4
87.00773	0.3
89.02309	0.7
93.03310	0.6
95.95146	0.4
96.95890	34.1
97.95822	0.4
98.95451	0.3
101.02321	1.6
103.00248	3.3
113.02357	0.6
136.01671	0.2
143.03423	0.3
150.96989	0.4
164.98552	0.9
180.98007	0.7
191.05521	1.7
241.00198	1.3
248.46609	0.3
374.36569	0.2
397.15305	0.8
415.16483	30.3
416.16837	4.2
457.17526	12.0
457.24017	0.5
458.18011	1.5
483.15375	0.5
501.16562	8.9
502.16925	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27450	0.3
59.01249	100.0
60.01590	1.1
71.01271	0.9
71.40611	0.4
73.02840	0.3
82.72749	0.2
83.01265	0.3
85.02804	0.3
89.02284	0.3
96.95899	1.6
98.95466	0.3
101.02328	0.8
113.02342	0.6
116.92740	0.7
118.94087	0.6
160.95181	0.5
161.04411	0.5
191.05516	0.4
203.09230	0.3
232.47171	0.3
377.47449	0.3
379.80936	0.3
399.23999	0.4
415.16318	0.4
457.16730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.4
57.03303	0.6
58.68188	0.3
59.01247	17.2
66.61911	0.3
69.03326	1.2
69.61854	0.3
70.08270	1.4
71.01249	6.0
73.02820	1.0
78.95753	0.4
83.01266	0.6
83.04870	0.6
85.02837	1.7
87.00745	0.7
89.02314	5.2
95.01252	0.3
96.95878	0.9
101.02324	5.1
111.08009	0.3
113.02324	2.9
113.09641	0.3
119.03380	1.1
129.15291	0.3
129.58665	0.3
141.09073	0.3
143.03369	0.5
149.09660	1.6
149.13234	0.5
151.11174	1.3
161.04460	2.6
167.10683	18.2
168.11037	1.1
177.09099	1.0
179.05516	1.0
195.10184	4.6
196.10484	0.4
203.17986	1.5
207.13632	0.4
213.46706	0.3
228.09894	0.6
237.18616	0.6
247.17021	7.0
248.17505	0.6
253.09259	24.6
254.09679	1.7
265.18076	100.0
266.18420	8.4
343.65027	0.3
415.16068	0.4
464.19119	0.9
501.26840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00724	0.3
55.07652	0.4
59.01250	100.0
60.01596	0.5
69.03342	0.6
71.01258	1.9
71.03030	0.9
71.03407	0.5
73.02824	1.3
79.95611	4.8
80.96397	2.5
81.62686	0.4
83.01260	0.5
85.02816	1.4
89.02298	0.8
93.03360	0.6
95.01227	0.4
96.95889	71.7
99.31142	0.4
101.02335	2.5
102.99607	0.8
103.00242	5.7
113.02363	1.3
119.06727	0.4
125.02378	0.6
126.88446	0.4
164.98560	2.0
173.04504	0.5
180.98076	1.0
191.05554	1.3
241.00243	2.9
245.71216	0.4
345.21625	0.4
397.15277	1.2
415.16443	69.7
416.16788	6.9
457.17511	24.8
458.17920	3.1
483.15131	0.5
501.16476	18.8
502.16779	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46931	0.6
59.01250	48.5
61.97810	0.6
69.03316	0.8
70.48373	1.3
70.57341	0.6
71.01246	2.2
73.02827	1.3
79.95603	6.1
80.96384	2.9
85.02818	1.8
87.00734	0.8
89.02322	0.9
93.03281	0.7
96.95888	100.0
97.02801	0.7
98.95463	1.2
101.02323	2.3
103.00252	9.5
105.70305	0.6
113.02327	0.8
148.65079	0.6
152.98523	0.9
163.03889	0.7
164.98538	4.3
180.98021	1.8
183.29315	0.7
191.05525	2.4
241.00194	3.9
397.15393	1.7
415.16428	95.5
416.16751	10.4
457.17459	39.9
458.18066	3.9
483.15439	1.3
501.16455	25.0
502.16837	3.6
522.79901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36018	0.2
59.01251	100.0
60.01588	1.2
69.03336	0.4
69.21684	2.1
71.01253	3.3
71.01614	0.3
72.99195	0.3
73.02818	5.4
81.03306	0.4
83.01251	1.6
85.02853	0.7
89.02317	1.2
96.95895	1.7
97.02900	0.4
98.95491	0.2
101.02322	6.1
113.02346	2.4
119.03408	0.6
131.03419	0.5
143.03418	0.7
149.04439	1.0
152.99579	0.4
155.03392	0.2
161.04469	1.4
181.08662	0.2
191.05663	0.4
221.06752	0.3
265.18158	0.2
399.23984	0.7
415.16400	0.9
439.32175	0.4
457.17239	0.3
465.23300	0.3
501.16296	0.5
501.32397	0.4
522.67212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08309	1.0
58.50982	1.0
59.01249	68.6
60.01581	1.6
69.40645	2.5
69.41068	7.6
78.95778	10.3
81.56648	1.3
84.32364	1.1
85.26309	1.1
127.23291	1.1
152.99481	10.7
168.44714	1.1
171.00513	2.9
245.04262	5.9
271.22781	100.0
272.23114	11.2
290.62485	1.0
499.26706	24.8
500.27158	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	48.5
61.46053	9.3
65.65058	9.7
71.01247	14.0
71.53810	11.6
73.02852	13.7
73.32003	11.5
75.69106	11.0
78.84864	9.7
99.24676	9.1
140.38934	10.5
141.37724	9.9
277.21680	100.0
278.22095	17.8
291.23325	59.7
351.01682	9.7
369.93378	10.2
403.96854	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	48.5
61.46053	9.3
65.65058	9.7
71.01247	14.0
71.53810	11.6
73.02852	13.7
73.32003	11.5
75.69106	11.0
78.84864	9.7
99.24676	9.1
140.38934	10.5
141.37724	9.9
277.21680	100.0
278.22095	17.8
291.23325	59.7
351.01682	9.7
369.93378	10.2
403.96854	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84409	0.3
55.36058	0.4
59.01253	20.7
62.23390	0.3
71.01257	1.0
71.33250	0.6
72.99178	0.5
73.02814	0.8
79.95610	5.9
80.96393	2.5
84.77066	0.4
85.02814	1.1
96.95893	91.7
97.95839	0.8
98.95449	0.4
101.02326	2.1
103.00250	8.4
113.02392	0.7
122.97424	0.6
138.97006	0.6
143.03333	0.4
150.96912	0.6
152.98531	0.7
159.02951	0.4
164.98532	3.2
180.98036	1.4
191.05473	0.5
241.00241	2.9
279.53101	0.4
297.04053	0.7
335.20844	0.5
397.15317	1.8
415.16434	100.0
416.16736	11.2
416.22034	0.8
457.17499	36.0
458.17776	3.9
483.15399	2.1
501.16513	25.3
502.16788	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42978	0.3
59.01250	14.7
61.27951	0.3
69.69468	1.9
71.01257	2.3
73.02815	2.5
77.21986	0.3
79.07635	0.3
79.95609	7.5
80.96394	2.9
83.01244	0.5
83.77699	0.3
85.02801	1.1
86.20779	0.4
87.00729	0.8
95.95097	1.0
96.95889	100.0
97.95856	0.4
101.02337	2.4
102.87035	0.4
103.00246	8.0
113.02332	0.6
122.97489	0.8
138.96973	1.3
150.96947	0.9
152.98500	1.7
164.98520	3.2
180.98087	2.7
191.05508	1.9
222.99190	0.5
225.00684	0.7
241.00217	5.8
300.49619	0.4
395.13852	1.6
413.14856	88.4
413.65018	0.7
414.15219	9.1
434.15057	2.5
434.65518	0.9
435.15555	0.6
455.15909	38.1
456.15973	6.0
456.64783	0.7
477.15570	0.9
481.13910	1.5
484.10959	0.4
499.14969	25.6
500.15134	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	12.5
61.80784	0.4
66.99954	0.4
71.01260	1.6
71.12278	0.9
73.02810	2.0
79.95607	6.0
80.96391	3.0
83.01256	0.5
85.02825	1.4
85.58970	0.4
92.46909	0.4
95.64094	0.4
95.95127	0.7
96.95889	100.0
97.95850	0.6
101.02318	2.4
103.00249	7.0
122.97444	0.6
127.11250	0.6
138.97003	1.1
150.96971	0.5
152.98509	1.3
156.01292	0.4
163.99622	0.4
164.98529	2.4
168.80466	0.5
180.98000	2.8
191.05530	1.1
207.72935	0.5
209.88368	0.4
222.99091	0.5
241.00217	6.7
395.13684	1.5
413.14850	82.7
413.64758	0.6
414.15143	9.5
434.15247	2.4
434.65750	0.8
439.86032	0.5
455.15903	33.1
456.15854	5.5
477.15244	0.8
481.13791	1.2
499.14868	20.7
500.15399	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.0
59.01251	22.7
61.98696	0.5
67.01762	0.6
69.03337	0.9
70.10595	0.6
71.01250	6.1
71.04884	1.5
73.02810	1.1
75.46004	0.4
79.95602	2.0
80.96393	1.0
83.01260	0.6
83.04897	1.4
85.02817	1.5
87.00740	1.0
89.02314	3.9
89.98440	0.5
93.03350	1.0
95.04908	1.8
95.95091	0.6
96.95891	30.0
97.06461	1.2
98.95475	0.5
99.00728	0.5
101.02323	6.0
103.00217	0.8
107.05611	0.5
107.08576	0.5
109.06533	0.4
111.08041	18.1
112.08440	0.6
113.02327	2.4
113.09572	0.7
119.03392	1.0
120.44379	0.5
123.08055	1.0
125.05971	0.6
133.02892	0.5
135.04384	0.5
137.09619	3.7
143.03384	0.6
149.09616	5.5
151.07567	0.4
151.11156	0.5
152.98526	0.6
161.04465	2.1
161.09702	0.7
164.98528	0.7
165.12753	0.7
167.10635	2.1
171.13785	0.5
179.05542	0.8
180.97986	0.7
186.06868	0.4
187.07625	0.5
191.05498	1.6
194.31752	0.5
200.04576	0.6
201.09204	0.5
214.06323	0.9
215.07108	1.4
219.17477	7.1
220.17891	0.6
229.08531	1.0
230.09355	0.6
241.00198	7.3
242.00484	0.5
245.15440	3.7
253.09276	21.2
254.09608	0.8
263.16510	100.0
264.16870	9.4
283.01294	2.6
402.13275	1.6
413.14923	5.3
413.65182	0.9
414.15381	0.7
425.13696	0.5
434.15222	1.8
434.65421	0.9
435.15826	0.6
454.48160	0.4
455.16013	3.9
456.15182	1.8
457.17484	6.3
458.17850	0.8
477.15506	0.6
499.18463	4.3
499.25809	1.6
500.15564	0.6
507.99026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26906	1.0
59.01250	70.4
59.22327	1.1
61.98701	3.0
71.53596	1.1
71.53996	1.7
78.95778	8.6
88.39159	1.1
89.33048	1.1
152.99515	11.8
160.14595	1.1
171.00606	2.2
193.42056	1.1
245.04221	6.2
271.22781	100.0
272.23120	10.5
370.16302	1.3
499.26678	28.1
500.26834	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	3.6
61.89331	0.3
69.03336	0.5
70.55653	0.9
71.01258	1.7
72.99166	0.5
73.02815	0.9
76.57654	0.2
77.36752	0.2
78.95762	0.5
79.95612	4.6
79.96043	0.5
80.96389	1.6
83.01259	0.4
85.02831	0.9
87.00774	0.4
89.02292	0.3
93.03324	0.9
94.97985	0.4
95.95126	1.9
96.95890	94.5
97.02825	0.4
97.95848	0.5
99.00731	0.6
101.02325	2.0
103.00259	1.0
113.02319	0.8
122.97455	0.9
125.02365	0.4
135.04391	0.5
137.02319	0.4
138.96994	1.0
143.03377	0.5
150.96980	0.9
152.98518	2.1
152.99533	0.3
153.01857	0.5
164.98518	0.6
167.01024	0.3
171.10168	0.9
173.04457	0.7
180.98038	3.5
187.07617	0.3
191.05557	2.9
211.13312	1.3
213.74806	0.3
225.00746	0.4
229.14417	0.6
237.14946	0.4
241.00209	9.1
242.00510	0.3
256.99768	1.6
293.17664	1.6
300.02744	0.3
308.83081	0.3
329.23322	3.9
399.10898	0.3
411.13297	10.3
412.13733	1.4
417.11584	0.4
453.14346	5.3
454.14172	0.6
497.20557	100.0
498.20935	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70095	0.7
61.98703	100.0
71.52506	1.0
71.52925	1.0
73.95338	0.6
75.40972	0.6
75.59471	0.7
75.97942	0.6
96.95913	1.9
110.58677	0.7
113.31070	0.6
113.99781	0.8
145.69942	0.6
162.24922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63568	0.4
59.01251	15.7
69.03329	0.4
71.01266	2.7
73.02827	2.2
74.81342	0.4
75.00756	0.4
79.95608	6.0
80.96394	3.2
82.64847	0.4
83.01254	0.9
83.25829	0.4
85.02821	1.4
87.00747	1.0
93.03320	1.2
95.95110	1.4
96.95887	100.0
97.95869	0.5
98.96323	0.4
99.00774	0.5
101.02332	2.5
103.00248	7.1
108.01994	0.4
111.68344	0.4
113.02342	0.7
133.02815	0.6
137.02412	0.6
138.96953	1.5
150.96971	1.1
152.98555	1.9
164.98499	2.5
173.04491	0.8
177.01878	0.5
180.54465	0.4
180.98051	1.7
191.05501	5.9
198.99092	0.5
202.99734	0.8
241.00223	6.7
259.01050	0.4
337.03500	2.7
395.13809	1.2
413.14850	82.4
414.15234	10.2
434.15356	1.3
435.16287	2.0
455.15906	38.2
456.16238	4.1
457.15848	0.7
481.13708	1.4
499.08920	1.3
499.14886	25.4
500.15512	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.5
57.03313	1.5
58.00466	0.9
59.01249	14.6
61.98684	0.5
69.03332	1.4
69.32332	4.9
71.01244	4.4
72.99178	0.9
73.02808	3.2
78.95776	0.5
79.95612	4.6
80.96389	1.2
81.03310	0.9
83.01254	1.3
83.04905	1.0
85.02823	4.5
87.00764	1.6
87.04388	10.6
89.02371	0.6
91.01765	0.8
91.94305	0.5
93.03358	3.2
95.01270	0.6
95.04917	0.5
95.95108	1.3
96.95885	72.8
97.02819	1.8
97.06438	0.7
98.95473	3.4
98.96302	0.5
99.04409	1.0
101.02323	3.8
103.00244	7.2
107.04873	3.0
108.02032	1.2
109.02830	11.3
109.06485	0.7
111.04391	1.2
111.08014	0.9
113.02337	1.4
117.03333	1.1
120.01121	0.7
121.02843	1.2
123.04401	0.9
123.08009	0.8
125.02314	1.2
125.05979	1.0
128.12956	0.6
130.39287	0.6
133.02881	0.7
134.03629	23.4
135.00804	2.6
135.04410	100.0
135.07935	2.7
136.04749	4.4
137.09618	11.0
138.09970	0.6
138.96924	1.0
139.07539	2.0
139.11166	1.0
141.09140	0.6
149.09619	0.8
150.97014	0.7
151.11179	1.7
152.98535	1.0
153.01833	15.5
154.02226	1.0
155.10675	55.1
156.11002	2.8
160.03865	0.6
161.04358	0.8
163.07567	0.7
163.11223	1.2
164.98590	2.2
165.09174	0.6
167.03398	1.3
167.10710	1.6
168.03746	1.4
169.12184	1.8
173.04448	1.1
173.08061	1.1
177.09093	1.1
179.03426	17.4
179.10643	3.4
180.03806	0.7
180.98019	1.3
181.08626	5.4
191.05553	4.3
191.10716	3.4
193.08589	0.6
193.12193	0.9
195.10130	2.7
197.11542	0.6
199.09682	34.4
200.10059	1.7
209.11790	0.6
213.11244	1.6
223.09596	1.1
225.11160	0.7
227.13026	0.7
237.11241	1.6
241.00201	5.7
241.10799	8.7
242.11200	0.7
243.00142	0.9
253.10782	2.6
255.12466	3.0
256.99765	1.2
257.10651	0.6
283.11862	12.9
284.12329	0.7
343.13962	4.8
344.14209	0.5
393.12286	1.6
403.16049	10.4
404.16351	1.3
406.57104	0.6
410.12094	0.7
411.13278	69.6
412.13547	8.7
453.14301	36.4
453.19553	0.5
454.14621	4.1
479.19199	79.8
480.19623	11.5
497.13297	38.1
497.20322	28.8
498.13638	5.7
498.20648	3.6
518.98682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64484	0.4
57.03299	0.7
59.00999	0.5
59.01255	7.4
69.03315	1.0
69.54002	2.5
69.54413	0.7
70.71989	0.4
71.01257	3.2
73.02805	1.6
79.95600	3.1
80.96419	1.2
81.03323	2.8
83.01245	0.6
85.02827	4.2
87.00764	0.4
87.04397	3.5
89.02306	0.4
93.03339	1.5
95.01279	2.3
96.95889	42.0
97.02807	1.5
98.95531	0.5
99.00765	0.6
99.04406	0.6
101.02319	1.9
101.03483	0.4
103.00253	2.7
108.02052	59.1
109.02844	42.8
109.03616	1.0
110.03156	1.6
111.08022	0.5
113.02344	1.2
121.02848	0.6
121.48887	0.5
123.00782	1.1
123.04411	0.9
135.04401	2.3
135.08061	1.7
137.02403	0.5
137.09610	4.6
138.10010	0.5
139.07513	0.7
151.03886	1.0
151.11227	0.6
152.01057	70.3
152.98531	0.9
153.01846	33.1
154.02206	1.1
155.10687	24.6
156.11012	1.3
163.03920	0.9
164.98537	1.6
167.03438	1.8
167.10677	0.8
169.12288	1.0
179.10713	1.6
180.98076	0.9
181.08662	2.3
191.05563	3.1
191.10744	0.8
195.10222	1.1
199.09686	7.2
213.11125	0.6
216.77222	0.5
241.00256	2.5
241.10808	1.7
255.12389	0.5
256.99680	2.4
283.11874	3.0
297.06122	0.6
311.27625	0.5
343.14117	0.9
371.83054	0.5
393.12051	0.9
406.97363	0.4
411.13278	34.5
412.13657	3.7
453.14624	13.2
454.14212	1.2
454.18710	0.5
479.12167	0.5
479.19559	1.1
497.16742	100.0
498.17099	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.4
58.33528	0.7
59.01245	7.6
61.98693	2.7
69.03331	2.3
70.74676	0.9
70.75007	1.8
71.01254	8.6
72.99181	0.7
73.02810	1.4
80.11256	0.8
83.04897	5.8
85.02823	3.2
87.00745	2.9
89.02324	5.6
96.95870	2.6
97.02838	0.9
101.02325	7.8
109.06501	1.0
111.08038	59.0
111.38954	0.6
112.08376	2.6
113.02313	2.0
129.09119	2.3
135.04407	1.0
147.08496	0.9
153.09094	4.8
158.33751	0.7
161.04480	0.9
173.08104	100.0
174.08444	4.8
177.01837	1.0
185.00957	1.1
187.08113	0.7
187.09656	4.8
191.05556	3.3
197.08121	18.6
206.30569	0.8
214.10750	0.7
215.09181	8.8
245.10307	4.1
249.07761	1.6
258.22824	0.7
274.24176	0.7
275.11340	21.4
276.11832	1.2
335.13464	30.7
336.13730	2.5
411.13193	1.2
428.25150	1.0
444.43478	0.8
497.11768	1.9
497.18802	28.9
498.19058	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03770	0.5
55.01753	0.7
55.83998	0.5
56.48981	0.5
57.03318	1.9
58.00449	0.9
59.01252	11.9
64.96564	0.5
69.03341	1.5
71.01247	4.7
71.11597	1.1
72.99191	1.0
73.02821	3.4
76.28277	0.7
79.95604	3.1
80.96387	0.9
81.03330	0.8
83.04900	0.8
84.56232	0.7
85.02818	4.8
87.00774	1.2
87.04388	12.4
89.02309	0.6
93.03324	3.0
95.04894	0.9
95.95087	0.7
96.95886	41.3
97.02831	1.8
97.06461	0.7
98.95458	1.3
99.04407	1.0
101.02330	2.5
103.00256	3.0
106.04169	0.6
107.04887	3.5
108.02060	0.9
109.02843	3.4
109.06501	0.7
110.85789	0.7
111.04397	1.2
111.08008	1.0
113.02345	1.3
117.03346	2.0
121.02859	1.7
123.04446	1.0
125.02342	1.5
125.05972	1.0
133.02817	1.1
134.03629	23.2
135.04413	100.0
135.08041	2.4
136.04738	3.8
137.05928	0.9
137.09607	13.4
139.07538	2.3
139.11246	0.8
141.01776	0.7
149.02385	0.6
149.09705	0.7
151.11201	2.3
152.98495	0.7
153.01851	5.5
155.10680	67.1
156.11014	4.0
163.11203	1.9
164.98582	1.3
167.10669	1.7
169.12259	2.4
179.03421	7.2
179.10681	4.7
180.98027	1.4
181.08601	6.1
191.05513	2.8
191.10658	3.9
193.12215	1.6
195.10172	2.7
199.09692	31.5
199.13406	1.0
200.10027	1.7
213.11342	1.9
223.09668	1.8
225.11319	0.8
227.12703	0.9
237.11520	0.8
241.00230	3.6
241.10814	6.7
242.11075	0.7
253.10817	2.0
255.12323	2.5
256.99768	0.8
283.11850	13.0
284.12057	1.2
343.13916	4.7
393.12259	1.5
403.16034	8.5
404.16592	0.9
411.13287	40.4
412.13611	4.6
453.14294	17.1
454.14752	2.7
479.19217	67.8
480.19495	10.3
497.13312	16.7
497.20361	23.9
498.13580	1.8
498.20746	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00957	1.3
59.01249	12.6
61.51764	0.9
63.54944	1.0
69.19180	0.9
69.40419	2.0
69.40826	6.5
71.01254	2.3
77.97296	0.9
79.95604	7.5
80.96381	2.7
85.02853	1.3
95.95128	2.5
96.95884	94.4
98.55489	0.9
101.02335	1.1
103.00255	10.5
105.22663	0.9
124.04936	1.0
129.40863	1.1
138.96965	1.3
152.98506	1.9
164.98570	2.4
177.03932	1.7
180.98123	1.0
206.95052	0.8
238.98613	1.1
241.00214	3.2
256.99704	9.8
296.70990	0.9
299.00653	1.1
311.67319	1.0
393.11984	1.6
411.13293	100.0
412.13663	9.5
453.14377	53.0
454.14801	6.4
479.12006	2.6
497.13348	54.7
498.13834	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03970	0.6
59.01254	15.3
66.02551	0.7
69.03319	0.8
69.78570	3.6
71.01250	1.9
71.09986	0.8
73.40823	0.7
79.95605	6.8
80.96401	2.0
83.01221	0.7
85.02832	1.2
85.10214	0.6
96.95889	96.7
98.19897	1.4
101.02319	2.2
103.00243	9.6
113.02335	0.9
138.96964	2.1
152.98503	1.3
164.98537	2.3
180.98006	1.8
185.00887	1.0
191.05534	1.3
198.99091	1.0
241.00200	6.1
259.01187	1.1
320.88132	0.7
393.12366	1.7
411.13293	100.0
412.13565	10.3
453.14343	47.4
454.14688	5.2
479.12289	2.1
497.13336	51.2
498.13675	6.6
512.94086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	16.7
61.98716	1.5
66.87212	0.8
67.01760	0.7
67.38490	0.7
69.03330	5.3
70.80724	0.8
71.01249	3.8
71.53753	1.3
72.99165	0.9
73.02821	2.1
78.95772	14.8
79.95604	6.5
80.96371	4.0
83.01270	1.0
83.04897	0.9
85.02822	4.9
87.00747	2.7
93.03331	5.6
95.95120	1.5
96.95890	100.0
97.02819	1.6
97.06461	0.9
98.95478	2.5
99.00762	2.3
99.92458	8.1
101.02328	4.8
103.00266	6.5
105.29307	0.8
113.02308	2.0
115.91962	15.9
116.92746	70.4
117.92770	3.5
123.42468	0.8
125.02391	1.0
133.02812	0.8
134.03639	1.4
135.04410	3.2
138.96999	2.1
149.09599	2.6
152.98375	2.3
152.99504	24.7
161.02328	1.7
164.98547	2.5
166.91866	0.8
171.00656	1.1
173.04431	2.3
180.98116	2.3
185.00830	2.6
187.03839	1.0
187.07626	1.1
191.05528	19.8
192.05850	1.0
197.11758	1.2
198.99120	2.4
211.13402	1.5
215.07143	1.7
241.00203	10.2
241.10869	0.9
242.00449	1.0
255.06470	1.1
256.99695	1.7
259.01221	1.7
266.13406	0.9
299.01480	0.8
300.02606	2.0
301.02878	1.5
305.19928	0.8
358.42084	0.8
393.06424	1.9
399.10315	1.0
411.07968	2.8
411.13278	61.0
412.13812	12.8
417.10883	1.2
432.14191	1.2
433.14389	5.3
435.07492	1.1
453.08755	2.3
453.14322	26.2
454.14749	5.6
455.14185	3.6
461.05148	1.6
476.14703	2.1
479.12244	1.7
497.07162	5.4
497.13425	28.8
497.24994	5.2
498.07538	1.0
498.13849	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00481	0.2
59.01246	1.5
65.03832	0.2
68.32408	0.1
70.39727	0.1
70.40076	0.5
71.01244	0.4
73.02814	0.2
79.95610	0.7
81.03340	0.8
85.02824	0.4
87.00751	0.1
87.04376	0.9
91.01762	0.6
93.03355	0.2
96.95888	7.1
97.02867	0.2
98.95448	0.1
99.04377	0.1
101.02330	0.6
103.00243	0.5
108.01300	0.1
108.02053	3.2
109.02836	98.5
110.03170	3.2
113.02283	0.1
125.02284	0.2
137.09624	0.5
153.01839	100.0
154.02180	4.1
155.10677	3.4
156.10902	0.2
164.98521	0.2
169.12262	0.2
177.62732	0.1
179.10753	0.2
181.08632	0.4
191.05415	0.3
191.10715	0.3
195.10229	0.2
199.09695	6.4
200.10034	0.3
213.11252	0.2
237.11084	0.2
241.00322	0.4
241.10777	2.0
242.11137	0.1
253.10815	0.5
255.12325	0.3
256.99500	0.2
283.09146	0.1
283.11838	2.9
284.12201	0.4
343.13977	3.3
343.18277	0.2
344.14297	0.5
393.12473	0.2
411.13318	5.0
412.13687	0.4
453.14371	2.4
454.14490	0.3
497.13727	1.9
498.14700	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	4.6
58.00455	2.6
59.01250	27.9
61.98685	3.5
67.33828	1.2
69.03330	15.1
69.23010	6.5
69.23428	3.6
70.03694	1.4
71.01247	13.1
72.99168	3.0
73.02822	6.8
75.00750	1.5
79.95596	3.6
83.01240	1.9
83.04913	1.7
85.02831	10.8
87.00732	2.9
87.04390	21.8
89.02320	3.8
93.03326	2.7
95.04913	1.0
95.95094	2.2
96.95884	35.0
97.02828	8.7
97.06461	2.2
98.95479	5.0
99.00768	3.3
99.04380	2.0
101.02320	10.5
103.03883	2.6
107.04910	84.6
108.05257	2.0
109.02795	1.3
109.06443	2.1
111.04406	1.3
113.02306	6.3
119.03389	2.2
123.04436	1.5
125.02301	2.9
125.05996	1.6
129.01816	4.0
133.02867	1.3
134.03604	1.2
135.08061	4.3
137.09598	19.9
139.07545	4.0
139.11208	2.1
140.60484	1.0
141.01840	1.3
148.34988	1.0
149.05881	1.3
149.09570	2.1
151.00287	4.9
151.03917	31.7
151.11153	2.1
152.04245	1.6
155.10681	100.0
156.11023	5.3
163.06018	3.0
163.07507	1.4
163.11205	3.1
166.98216	1.1
167.10698	2.0
169.12225	4.4
177.09175	2.3
178.02577	1.1
179.03371	1.8
179.10699	9.5
181.08685	8.5
185.00928	5.2
191.05563	6.4
191.10745	6.6
193.12341	1.4
195.10226	5.8
199.03755	1.5
199.09691	66.3
200.10014	4.2
203.01892	2.2
205.07121	2.0
209.11729	1.4
213.11241	2.9
215.71747	1.0
223.09686	3.2
225.11301	1.9
227.12775	1.3
237.11205	2.1
241.00108	3.4
241.10757	17.3
253.10799	4.5
255.12308	5.3
256.99652	4.2
261.01083	1.4
271.02365	1.9
271.42603	1.3
275.09232	1.6
283.11871	30.4
284.12186	3.0
299.02087	5.1
300.02676	8.8
301.03403	3.6
327.21719	1.2
343.13992	8.6
344.14185	1.4
397.09290	3.8
409.11081	3.9
415.10385	10.1
435.22177	4.7
451.11920	5.1
451.19730	32.4
452.20041	4.4
469.76920	1.1
477.17618	2.6
495.06232	2.8
495.18790	80.6
496.06595	1.3
496.19199	13.0
520.37262	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.5
61.98705	100.0
65.65228	0.2
78.95773	1.6
85.02834	0.6
85.35970	0.2
87.00777	0.3
96.95897	0.2
109.99850	0.2
115.00259	0.7
124.03096	0.2
135.04413	0.2
136.82924	0.2
140.83461	0.2
147.96638	0.2
152.99515	1.2
171.00574	0.4
175.02435	2.6
191.05569	0.6
205.65532	0.2
209.99818	0.2
245.04301	2.8
341.76126	0.2
380.81876	0.3
469.31665	0.2
497.25369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.1
58.00464	2.7
59.01251	31.1
61.98693	2.3
65.00175	1.0
69.03330	16.5
70.03651	2.3
70.87379	2.0
71.01247	14.0
71.04877	1.8
72.99184	2.0
73.02818	7.4
75.00749	1.4
78.95744	1.0
79.95609	4.5
80.96374	1.0
81.03341	1.7
83.01241	2.2
83.04903	1.4
85.02834	9.4
87.00749	3.9
87.04392	24.4
89.02312	3.8
93.03342	2.9
93.47852	1.0
95.01305	2.1
95.04914	1.7
95.95124	3.2
96.95891	37.4
97.02816	7.9
97.06453	1.7
98.03159	1.0
98.95474	6.7
99.00754	4.2
99.04405	2.1
101.02335	9.0
101.06037	1.0
103.00251	1.1
103.03913	5.9
106.04095	1.1
107.04912	86.8
108.05239	3.3
109.02842	1.0
109.06451	1.7
111.00768	1.1
111.04411	1.1
111.08065	1.6
113.02303	4.4
115.42706	1.0
119.03401	1.9
119.04884	1.0
123.04386	2.1
125.02307	1.9
125.05936	1.6
129.01828	3.7
133.02823	2.2
134.03625	1.6
135.08052	3.2
137.05968	1.7
137.09619	21.1
139.07552	2.9
139.11195	1.0
141.01859	1.6
141.09125	2.4
142.19611	0.9
143.03436	1.5
149.09644	1.8
151.00327	5.1
151.03903	33.7
151.11183	3.3
152.04271	2.1
152.98518	1.4
155.10684	100.0
156.11002	5.1
156.66742	1.0
160.03850	1.7
161.04457	1.1
163.06006	3.7
163.07483	1.1
163.11217	1.8
165.09048	1.1
167.10681	2.1
169.12254	4.8
173.04515	1.2
177.01851	1.3
177.03969	1.5
177.09180	1.9
178.02608	1.4
178.99730	1.7
179.03468	1.6
179.10722	6.5
181.08604	8.4
181.12248	1.5
185.00830	5.4
186.01210	1.2
191.05568	8.6
191.10715	4.4
193.12206	1.6
195.10287	4.8
199.09689	74.4
200.10062	3.3
203.01897	2.9
205.07083	1.8
209.11728	1.5
213.11220	3.2
223.09863	1.2
225.11295	1.8
237.11247	2.3
241.00159	2.3
241.10777	16.4
253.10783	3.9
255.12355	4.9
256.99640	3.1
261.01105	1.2
271.02512	2.2
283.11847	28.5
284.12045	1.4
299.02008	4.8
300.02698	9.5
301.03537	5.0
303.02383	1.9
327.21707	1.1
343.14090	9.7
397.09207	3.5
409.11041	4.3
415.10358	11.6
416.10806	1.7
435.22314	4.1
451.11588	7.5
451.19717	35.0
452.20193	4.7
477.17917	1.9
495.06790	2.3
495.18811	82.3
496.19098	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15655	0.4
56.12206	0.5
57.03322	0.5
59.01247	11.0
59.09947	0.4
61.98684	1.1
63.02251	1.0
65.00190	1.0
69.03323	2.6
71.01242	3.4
71.11091	1.4
72.99185	1.0
73.02810	1.5
79.95167	0.8
79.95598	7.3
80.96378	2.2
83.01262	1.5
85.02805	3.9
87.00737	1.0
89.02290	0.5
93.03313	1.4
95.95100	4.4
96.95883	100.0
97.02823	1.8
97.95800	0.5
98.95467	1.3
99.00731	1.6
101.02303	1.1
103.00260	6.7
107.01257	2.9
109.02840	1.1
113.02338	1.0
115.03889	0.6
125.02372	0.8
129.01816	1.5
135.04422	1.1
138.96947	4.1
141.01840	0.9
149.09625	1.2
150.96959	1.1
151.00281	8.0
151.03908	0.6
152.01031	1.1
152.98532	1.8
153.01816	1.5
159.02975	0.5
161.37953	0.5
164.98495	0.6
167.10587	0.7
169.01338	2.1
173.04482	0.6
173.05905	0.7
176.98499	1.6
177.03978	2.2
178.99774	5.3
179.03278	0.6
180.98019	1.7
185.00841	1.0
188.04779	0.6
191.05516	15.2
198.99095	4.7
203.01913	1.2
217.08652	0.9
225.00647	1.2
238.98668	2.7
241.00218	7.9
256.99698	24.8
258.00089	1.0
259.01242	13.7
260.01559	0.6
283.01346	0.8
299.00754	5.8
300.02859	2.3
301.02365	4.2
304.82629	0.6
342.99704	3.2
345.01257	0.9
395.13840	0.6
397.09253	16.4
398.09598	2.3
409.11728	30.7
410.11908	3.2
415.10373	2.2
451.12726	23.1
452.12711	3.2
453.16824	1.6
477.10666	0.7
495.06033	2.5
495.11795	23.8
495.18933	15.8
496.06036	0.8
496.12180	3.2
496.19250	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76364	0.3
59.01254	4.5
61.98702	0.4
63.02262	1.2
65.00199	0.6
67.96606	0.3
68.11337	0.3
69.03330	2.3
69.25191	1.6
69.25620	1.3
71.01256	1.4
79.95610	3.5
80.11718	0.3
80.96391	0.7
81.03322	0.5
83.01267	1.1
83.04878	0.4
85.02813	1.2
87.00764	0.6
91.01772	0.3
93.03353	0.6
95.95098	0.5
96.95889	31.0
97.02824	1.3
98.95440	0.5
99.00772	0.5
101.02323	0.5
103.00277	1.5
107.00603	0.3
107.01239	1.5
108.02059	3.3
109.02837	80.1
110.03169	2.3
113.02357	0.4
119.04919	0.7
125.02335	1.0
129.01851	0.4
133.02866	0.5
134.03621	1.3
135.04414	7.8
135.08080	0.4
136.04848	0.3
149.02219	0.3
149.09645	0.6
151.00293	5.9
152.01006	0.7
153.01840	100.0
153.09067	3.0
154.02193	4.0
163.03922	1.3
164.98535	0.4
169.01341	1.0
173.05975	0.5
177.09137	0.5
178.99767	3.1
179.03398	1.0
180.98006	0.7
185.00842	1.2
191.05568	1.8
191.07071	0.4
192.00494	0.5
193.08606	0.4
197.08096	0.9
203.01746	0.4
213.65854	0.4
215.07138	0.5
217.08592	1.0
221.08167	1.0
239.09178	0.7
241.00183	1.6
256.99677	1.7
281.10257	1.2
300.02701	1.2
341.12396	2.2
351.23416	0.3
397.09259	10.7
398.09818	1.5
409.11734	11.3
410.11987	1.1
415.10260	1.8
451.12726	4.8
452.13535	0.6
453.17761	0.8
477.17462	0.5
495.05591	2.4
495.12628	3.3
495.18842	5.4
496.19315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1175
Annotation	circumanthracene
Peak:m/z	Relative Intensity
52.56177	0.3
59.01253	7.4
61.98689	0.6
69.03335	1.1
71.01250	2.0
71.98413	0.3
72.85306	0.3
73.02805	0.6
75.00737	0.3
78.95786	0.4
79.95600	2.9
80.96393	1.6
83.01273	0.5
85.02808	0.8
87.00782	1.0
87.78507	0.4
93.03328	0.6
96.95889	100.0
97.02808	0.8
99.29189	0.3
101.02308	1.3
103.00252	3.7
103.30994	0.4
113.02323	0.6
125.02325	0.6
134.97456	1.8
135.04395	0.5
138.96893	1.3
150.96826	0.4
151.00208	0.5
152.03442	0.4
152.98521	5.4
157.03673	0.4
161.02333	0.5
167.10683	2.7
178.02650	0.5
179.03337	1.2
180.96318	0.4
180.97885	0.8
191.05507	1.8
194.99593	1.0
218.84940	0.4
222.99097	1.0
241.00211	45.8
242.00572	2.1
283.01294	18.6
284.01627	0.6
300.02731	0.5
308.99130	0.6
327.00296	3.8
328.00525	0.5
383.09244	0.4
398.12030	0.8
409.11264	16.9
409.15253	2.2
410.11694	2.2
451.12473	13.4
452.12613	1.4
477.10181	1.1
495.11307	12.7
496.11578	2.1
504.77597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1179
Annotation	circumanthracene
Peak:m/z	Relative Intensity
59.01251	9.7
69.03327	1.4
69.42483	0.8
69.42887	3.0
71.01251	2.6
72.99162	0.6
73.02823	1.4
75.00756	0.5
79.95605	11.8
80.96384	2.9
81.03988	0.4
83.01262	0.8
85.02842	2.7
88.25065	0.4
89.02339	0.8
93.03322	0.7
95.95103	3.8
95.96973	0.4
96.95890	100.0
97.02805	0.9
97.93761	0.5
99.00762	1.6
101.02308	1.6
103.00254	6.4
113.02320	0.7
115.03869	0.5
122.97453	0.7
129.01816	1.2
134.97559	0.6
135.04420	0.7
138.96973	1.5
141.01776	0.5
149.09622	4.8
150.96976	1.3
152.62427	0.5
152.98486	2.1
161.02246	0.6
164.98492	2.1
168.97917	0.5
173.45941	0.5
176.98570	1.2
177.03969	3.4
178.99747	0.8
179.03493	0.6
180.98030	1.4
185.00806	1.2
191.05513	1.9
194.99600	1.0
203.01944	1.5
205.69460	0.5
238.98627	2.7
239.40608	0.4
241.00233	4.4
256.99710	18.7
257.99966	0.6
287.01797	0.6
299.00861	3.4
301.02255	0.5
315.01315	1.2
351.07803	0.4
391.10428	0.9
395.10071	0.6
407.09860	0.5
409.11728	84.1
410.12167	9.8
451.12750	39.7
452.13184	5.6
452.33191	0.8
477.10690	1.7
495.11838	34.6
495.18262	1.6
496.12317	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1178
Annotation	circumanthracene
Peak:m/z	Relative Intensity
57.03300	0.5
59.01250	9.4
61.98703	0.9
63.02268	0.8
65.00204	0.7
66.12504	0.4
69.03329	3.4
69.70509	2.7
71.01254	2.1
72.99172	0.8
73.02837	0.6
75.00730	0.4
79.95607	12.6
80.96389	1.9
83.01253	1.0
85.02803	1.3
87.00748	1.1
89.02345	0.8
93.03339	1.3
94.97961	0.4
95.04913	0.9
95.95103	7.4
96.95889	100.0
97.02837	1.0
97.06460	0.7
98.20490	0.5
98.95470	1.8
99.00772	0.7
101.02318	1.5
103.00253	5.7
107.01276	1.2
108.02050	13.5
109.02865	4.2
113.02314	0.6
123.04395	6.0
129.01852	0.8
131.34088	0.5
134.03667	0.6
134.97464	1.3
135.04401	1.7
137.02328	1.0
138.96967	1.1
141.01884	0.8
149.09621	7.5
150.97003	1.5
151.00249	3.3
152.01059	27.8
152.98537	4.6
153.01842	5.1
160.03967	1.9
161.02344	0.5
164.98528	2.0
166.05005	1.9
167.03412	57.3
167.10710	1.4
168.03773	2.6
169.01340	0.8
177.01892	0.7
178.02805	0.5
178.99814	2.4
179.03448	0.7
180.97992	1.3
185.00789	1.1
191.05559	3.0
194.99629	1.3
197.01152	0.6
203.01895	0.8
205.75937	0.5
222.99023	0.7
225.00731	3.0
241.00204	21.4
242.00508	1.8
256.99670	2.7
267.01733	0.9
283.01202	4.2
284.01703	0.6
289.16513	0.4
300.02737	0.5
300.15726	0.5
301.10663	0.5
391.10681	1.5
397.09259	8.5
398.09546	1.1
409.11707	51.9
410.06595	0.7
410.12079	4.5
415.10413	1.7
435.22217	0.6
451.12799	34.2
452.13162	3.5
495.06143	2.1
495.11865	33.0
495.18994	9.0
496.12170	4.3
496.19189	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.3
59.01245	6.1
61.82336	0.6
61.98690	0.8
63.66221	0.4
67.01740	0.9
69.03326	100.0
70.03654	1.4
71.01260	3.4
71.53709	0.6
72.99174	2.3
79.01752	1.3
79.95628	1.2
81.17290	0.5
83.01210	0.7
85.02846	2.1
87.00774	0.7
89.02296	1.0
93.03349	1.0
95.01268	3.0
96.95887	8.7
97.02828	24.6
98.03185	0.5
98.95461	0.6
99.00757	25.4
100.01102	0.8
101.02325	1.2
113.02320	1.0
119.04924	1.4
120.99553	0.5
123.00754	1.6
129.01874	0.6
133.02887	1.3
134.03627	1.7
135.04430	1.1
137.02380	0.6
139.04022	0.5
141.01826	7.0
149.02347	1.4
163.03909	1.0
173.04515	0.6
177.01851	0.8
178.02608	1.8
179.03436	0.7
185.00835	51.0
186.01175	2.5
191.05565	2.9
203.01897	1.2
220.10719	0.5
241.00198	1.0
253.85152	0.5
262.07275	0.5
267.93393	0.6
300.02637	0.8
301.01013	0.5
313.23770	0.9
331.25003	1.2
363.61194	0.5
493.17392	2.9
493.29611	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88339	0.3
51.02264	0.6
55.01759	3.9
59.01253	4.2
63.05194	0.3
67.01767	0.8
69.03325	100.0
70.03651	2.8
71.01250	3.4
71.10995	0.7
72.99169	2.2
73.02831	0.7
75.00738	0.5
79.01746	1.7
79.57796	0.3
79.95605	1.5
80.96422	0.6
83.01222	0.3
85.02818	1.8
89.02323	2.3
95.01254	2.9
96.95887	17.1
97.02828	19.6
98.03161	0.7
98.95475	1.0
99.00755	26.5
101.02334	1.3
103.00243	1.2
113.02305	0.8
119.03422	0.7
123.00770	1.4
131.03398	0.5
133.02803	0.6
134.03653	3.5
135.04443	0.5
138.96979	0.8
141.01831	9.0
142.02222	0.5
149.04454	1.0
161.04556	0.3
164.98578	1.4
177.31100	0.3
178.02637	1.0
180.98009	0.5
185.00835	45.8
186.01183	2.7
191.05464	0.8
198.99094	1.1
215.84363	0.3
231.10216	0.4
241.00114	1.9
259.01254	3.5
301.02298	2.6
301.16550	0.7
307.11859	1.3
407.10159	4.0
449.11197	7.8
450.11591	1.0
493.10675	2.7
493.30209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	14.9
60.01564	0.7
61.55099	0.6
61.98695	0.9
69.03316	2.2
71.01257	2.7
73.02839	0.7
79.95605	16.9
80.96391	2.0
85.02818	2.1
87.00726	1.2
90.83529	0.6
95.95100	5.2
96.95885	100.0
98.95477	1.3
101.02326	2.2
103.00259	7.3
105.52183	0.7
135.04414	0.8
138.96982	0.9
150.96964	1.8
152.98520	2.5
164.98531	2.1
165.12773	2.0
180.98035	2.7
185.00922	0.7
191.05521	1.2
205.03255	0.8
222.99028	1.1
225.00771	1.3
241.00201	9.0
250.38147	0.7
256.99863	0.8
264.69492	0.7
283.01285	0.9
389.12799	2.0
407.13788	96.7
408.14191	10.1
449.14862	38.4
450.15106	5.7
460.69244	0.7
475.12482	2.0
493.13797	41.3
494.14191	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33141	0.5
53.36443	0.4
55.01769	0.9
55.30772	0.5
57.03306	0.7
58.53256	0.5
59.01250	12.6
60.01560	0.5
61.98690	1.4
65.49615	0.4
66.11217	0.5
67.42152	0.4
69.03333	5.9
69.54565	0.5
70.29039	0.5
70.67355	1.5
71.01254	3.5
72.97421	0.6
73.02824	0.8
78.85201	0.4
79.38170	0.4
79.95599	6.4
80.96397	1.6
83.01263	0.6
85.02805	2.4
87.00757	1.3
89.02328	1.0
93.03326	1.5
95.01256	1.1
95.95116	2.0
96.95891	100.0
97.02846	2.4
97.95791	0.7
98.95445	0.7
99.00780	2.1
101.02341	2.0
103.00258	4.7
107.01302	0.8
108.02060	7.7
109.02839	4.1
111.00758	0.5
111.04386	0.5
113.02326	1.4
121.02829	0.5
122.06034	1.0
122.97459	0.8
123.04458	0.6
125.02322	0.8
129.01791	0.8
133.02853	0.7
134.03661	0.6
134.97470	1.4
135.04417	2.2
136.05231	2.9
138.96977	1.0
141.01820	1.4
147.04318	0.5
149.02428	0.6
150.01846	1.0
150.96980	0.9
151.00261	2.5
151.03905	2.1
151.99902	0.8
152.01060	9.1
152.98521	3.1
153.01819	2.7
155.10704	0.8
159.04451	0.5
161.02310	0.7
163.03836	0.6
164.98546	1.0
166.05013	39.1
167.03421	3.2
167.05351	1.7
169.01338	0.7
177.01842	1.1
178.02563	0.5
178.99783	1.2
179.03413	1.3
180.98006	1.0
185.00862	1.7
191.05534	4.4
194.99619	0.5
197.11803	0.7
203.01932	2.3
222.99162	0.9
241.00215	40.6
242.00545	1.8
256.99683	2.9
283.01294	14.2
284.01669	0.9
327.00290	2.9
397.09256	5.2
408.00674	0.7
408.06009	12.4
408.11005	0.8
409.06332	1.6
409.11606	7.3
415.10019	0.9
421.16000	0.5
434.62790	1.4
450.07077	14.1
451.07312	1.5
451.12683	1.8
451.16666	1.3
452.16702	1.0
455.63089	0.9
476.05130	1.0
493.17749	1.5
494.06097	13.2
494.17303	3.8
495.05801	1.1
495.13242	2.3
495.19092	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02254	1.4
55.01760	1.8
56.27430	0.9
57.46390	1.0
59.01231	3.7
62.95950	1.0
65.00194	1.4
66.90436	0.9
69.03326	64.3
70.03658	1.3
71.01250	9.2
72.99159	1.4
79.01772	5.0
79.94074	0.9
79.95574	2.5
85.02800	2.8
89.02267	1.2
93.03313	1.3
95.01255	8.9
96.95287	1.7
96.95886	25.5
96.96810	1.6
97.02829	65.2
97.06425	3.4
98.03134	1.1
98.87366	0.9
99.00745	14.3
111.00739	2.0
112.30532	1.0
123.00748	5.3
133.02791	3.5
134.03632	64.4
135.04288	6.4
137.02324	2.1
139.00212	1.3
139.03857	1.1
141.01836	100.0
142.02116	2.7
146.88086	1.1
147.04347	1.1
148.01474	0.9
149.42383	1.0
151.00240	2.4
153.01810	1.3
156.29453	1.1
163.00212	1.4
164.98509	1.2
166.99619	1.4
171.04489	1.1
174.77211	1.0
177.01805	3.6
178.02643	10.5
178.99742	1.8
179.03201	1.5
182.08435	0.9
184.99277	2.0
185.00835	30.6
186.01060	1.8
187.03810	1.8
187.07492	4.3
199.09578	1.0
202.06229	1.9
203.00212	1.6
203.01906	17.9
215.03343	3.6
231.10110	3.8
242.02031	2.3
243.02858	2.8
258.01370	1.1
259.02335	3.0
263.12637	3.5
270.01654	2.1
271.02405	2.5
272.03198	2.6
273.03748	1.4
275.09113	3.5
285.03928	3.7
286.01022	2.0
287.01862	9.6
287.05386	3.5
299.01837	3.4
300.02536	1.8
301.03329	3.0
302.04184	4.3
307.11856	39.2
308.12018	3.6
313.03384	2.7
315.01343	4.5
315.04767	1.9
316.01987	2.7
330.03806	12.6
331.04657	7.2
332.05002	2.0
407.10272	11.1
449.11139	5.0
493.09607	46.6
494.10251	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81640	0.6
55.01759	3.9
57.03307	0.6
58.00461	0.5
59.01248	12.1
61.98686	0.6
66.88243	0.5
67.01751	0.8
67.17400	0.5
69.03325	100.0
70.03658	2.0
71.01247	7.2
71.53455	0.8
72.38823	0.5
72.99171	2.4
73.02805	0.8
75.30496	0.6
79.01766	1.5
79.95607	1.5
83.01222	0.6
83.04914	0.6
85.02820	3.3
87.00748	1.1
88.86629	0.6
89.02316	4.5
93.03362	1.2
95.01283	3.2
95.95129	0.8
96.95892	10.0
97.02824	21.1
98.03122	0.9
99.00755	22.7
99.08022	0.6
100.01107	0.6
100.77277	0.6
101.02324	3.1
113.02351	2.7
119.03401	2.0
119.04906	2.2
120.05254	1.1
123.00758	1.7
129.09094	0.6
131.58931	0.5
133.02855	1.0
134.03612	1.7
135.04453	1.4
141.01846	6.5
143.10686	0.7
149.04482	0.6
152.99544	0.6
161.04498	0.7
163.03906	1.5
177.01857	1.3
178.02618	1.9
179.03409	1.1
185.00835	48.2
186.01184	2.1
191.05493	4.8
203.01936	1.8
209.27321	0.5
212.97960	0.5
218.15048	0.5
241.00252	1.2
256.99799	0.8
299.15680	0.6
313.20261	1.0
313.23831	13.6
314.24301	1.0
331.24921	2.8
363.20480	0.6
450.29358	0.6
451.16153	0.8
493.11899	0.8
493.17581	3.0
493.30075	12.4
494.18188	0.8
494.30539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	16.8
61.98705	1.2
69.03321	8.1
69.24068	4.8
69.24475	3.0
71.01259	5.4
72.99173	1.0
79.95611	7.3
80.96410	2.6
83.01285	1.3
85.02830	4.3
89.02320	3.4
95.01244	2.4
95.95100	1.2
96.95887	98.2
97.02821	8.4
97.58177	0.8
99.00753	2.0
101.02309	3.9
103.00271	7.8
113.02336	2.6
138.96883	1.4
141.01830	11.7
152.98462	1.4
161.04410	1.5
164.98572	2.7
169.61826	1.1
170.38159	0.9
174.06781	2.2
175.07616	1.7
179.05499	1.1
180.97975	3.2
185.00818	2.1
191.05594	1.7
203.01897	2.6
203.10674	1.2
231.10231	1.2
241.00198	6.4
253.60954	1.0
275.09122	2.4
307.11893	2.6
389.09393	1.1
397.47812	1.1
407.10150	100.0
408.10538	9.5
433.24387	1.6
449.11206	37.2
450.11368	3.7
475.08752	2.0
493.10162	20.6
493.17575	1.2
494.10278	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.6
57.03331	0.5
59.01255	13.7
60.01607	0.5
61.98705	0.8
69.03325	14.6
70.03677	0.3
71.01257	4.3
71.53712	0.6
72.01584	0.3
72.99185	1.0
73.02822	1.1
79.95609	12.8
80.96402	2.4
83.01218	0.4
85.02805	2.5
87.00766	0.8
89.02335	2.2
93.03342	0.3
95.01254	0.7
95.95114	9.4
96.95891	100.0
97.02827	4.2
99.00759	3.7
101.02329	2.7
103.00253	8.1
109.02827	0.8
113.02341	1.6
113.91328	0.4
118.97970	1.0
119.03371	0.8
122.03668	0.5
123.04403	8.8
125.02346	0.4
129.01814	1.3
134.03610	1.2
134.97450	0.8
135.04437	0.5
136.99040	0.5
138.96974	1.0
141.01823	1.6
142.45897	0.4
149.05980	0.5
150.96980	1.1
151.00299	0.4
152.98558	2.8
153.01851	0.4
155.10706	0.4
159.02925	0.7
161.04434	0.5
164.98535	2.5
165.09151	0.9
168.98029	0.4
175.33047	0.3
176.98604	0.3
177.03957	1.4
178.99799	0.6
179.03525	0.4
179.05513	0.5
180.98019	0.9
185.00844	6.6
187.07639	0.5
191.05545	1.4
194.99612	1.8
198.99200	0.4
199.09581	0.4
203.01927	3.6
213.09203	0.5
222.99237	0.8
231.10283	0.5
238.98677	3.6
241.00214	13.8
242.00478	0.8
256.99725	20.9
258.00034	0.8
263.13010	0.5
275.09506	0.4
283.01324	3.6
299.00784	11.6
300.00995	0.5
307.11920	1.2
324.98682	0.7
327.00113	0.4
331.12976	1.5
342.99728	10.2
344.00058	0.7
347.04443	1.6
365.05429	9.4
366.05771	0.7
407.06213	5.2
407.10275	13.6
408.05997	0.7
408.10510	1.3
433.15625	0.6
433.24435	2.7
449.11234	8.6
450.11441	1.5
451.05634	3.8
451.16263	3.2
452.06097	0.9
475.08902	0.5
493.10229	10.3
493.17520	13.3
494.10272	1.4
494.17807	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.3
57.76225	0.5
59.01249	11.7
67.01758	0.7
69.03326	100.0
70.03669	2.1
71.01254	6.5
72.99178	2.7
73.02821	1.9
79.01753	1.6
79.95612	5.4
80.96403	3.4
81.12929	0.4
83.01283	0.7
84.65427	0.5
85.02823	3.2
87.00774	0.7
89.02324	5.5
92.88213	0.5
93.03353	0.7
95.01250	3.0
95.95113	1.4
96.95889	71.8
97.02827	20.4
98.03183	0.6
98.95471	1.5
99.00755	24.4
100.01080	0.5
101.02322	3.2
103.00239	4.6
109.02847	0.6
113.02340	2.8
119.03380	1.2
119.04905	1.4
123.00764	1.0
124.62000	0.6
131.03458	1.0
133.19174	0.5
134.03641	3.8
135.04405	0.9
138.96974	5.1
141.01840	7.4
143.03328	0.8
149.04420	1.9
149.38715	0.6
149.51379	0.6
152.98523	1.5
161.04449	0.6
164.98570	4.4
165.09087	1.7
178.02538	0.9
179.03477	0.6
179.05551	0.8
180.98042	2.1
185.00839	48.4
186.01144	1.4
191.05481	2.0
198.99107	5.5
199.38306	0.5
200.03952	0.4
203.01791	0.6
241.00211	9.1
259.01279	17.0
275.09128	0.6
283.01242	1.0
292.71240	0.6
301.02353	12.2
301.16556	1.5
307.12137	0.9
345.01425	0.5
389.09012	1.3
407.10175	20.7
408.10645	1.4
433.20557	0.8
449.11234	35.7
450.11325	3.7
455.12372	0.7
469.96228	0.5
475.09119	1.0
493.09818	14.7
493.29520	1.2
494.10492	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67807	0.3
57.03310	0.9
59.01252	4.0
61.98701	0.5
69.03339	0.4
71.01238	0.4
78.95774	10.5
79.95596	0.9
80.96413	0.5
83.04913	0.4
96.95886	13.2
98.19826	0.6
98.95472	0.7
99.08025	0.3
103.00228	0.7
112.45636	0.3
113.09610	2.6
117.29373	0.3
122.00010	0.3
140.01076	2.9
145.47810	0.3
152.99504	1.6
171.00523	0.6
177.12711	0.4
179.03389	0.8
179.14326	1.0
191.05568	0.4
195.13835	17.5
196.03645	1.8
196.14157	1.5
203.02055	0.3
203.84880	0.3
209.08101	0.7
214.04803	4.5
229.49242	0.4
241.00212	0.4
277.21713	14.9
278.22079	1.7
288.07632	0.4
295.22775	100.0
296.23117	10.6
405.65494	1.7
406.15738	3.9
406.65897	0.8
407.15479	0.4
418.66257	0.3
426.65909	1.4
427.16232	3.2
427.66498	0.9
428.16684	0.3
447.66220	0.7
448.16418	0.6
448.65402	0.9
449.15695	2.4
449.65829	0.7
470.16281	0.9
492.27322	25.7
493.27539	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11555	0.6
59.01245	5.6
61.98685	0.6
64.74669	0.6
71.01263	0.6
78.95771	31.5
79.87925	0.6
79.95604	0.8
89.93131	0.6
96.95885	14.6
98.20691	1.3
98.95490	1.0
103.00237	1.0
110.81007	0.6
113.09608	2.5
122.00014	1.9
135.04459	0.8
140.01091	9.2
152.99480	2.9
171.10155	0.7
179.14246	0.7
191.05550	1.2
195.13837	20.0
196.03722	15.8
196.05551	0.8
196.14224	1.4
214.04768	3.5
217.48973	0.6
229.52168	0.7
241.00125	0.7
260.67361	0.6
277.21719	18.7
278.22101	2.0
288.97836	0.6
293.21103	1.1
294.21579	1.4
295.22763	100.0
296.23111	11.7
405.65170	3.6
406.15256	3.6
406.65427	1.2
426.65759	3.7
427.16101	4.2
427.66095	1.1
447.66345	1.0
448.16180	1.3
448.65271	1.9
449.15558	3.3
449.65344	0.7
469.65662	1.1
470.16144	1.2
470.65866	0.7
492.27286	54.4
493.27625	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0992
Annotation	Quercetagetin 3'-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
51.02266	1.9
52.47422	1.5
55.01742	2.0
59.01237	4.9
59.83964	1.4
65.00190	3.1
67.01756	2.0
69.03326	71.0
70.01463	4.0
70.01862	3.1
70.03676	2.1
71.01259	11.1
72.99179	3.1
79.01752	5.0
79.95614	4.6
83.01239	1.9
85.02813	2.5
95.01271	14.4
95.04845	1.6
96.95288	2.2
96.95893	29.5
97.02824	73.1
97.06459	5.3
98.03175	2.4
99.00753	15.2
101.02361	1.4
105.89888	1.7
107.01233	2.6
109.02856	1.6
111.00752	5.2
121.02865	2.6
123.00790	9.2
124.01524	1.5
125.02303	2.6
133.02840	5.5
134.03627	84.6
135.04323	6.4
137.02261	2.4
139.00247	3.6
141.01833	100.0
142.02151	3.7
149.02341	1.9
151.00255	4.8
161.02361	1.8
163.00270	2.9
165.99023	1.7
166.99762	2.4
171.04385	3.0
175.03917	1.7
177.01917	2.0
178.02626	12.8
178.99797	4.1
180.97911	1.7
185.00842	35.3
186.01038	1.6
187.03864	5.1
187.07584	5.7
199.09564	1.9
202.06300	2.5
203.01895	18.7
203.03598	2.2
212.01282	1.5
215.03435	5.4
227.03003	1.7
231.02789	2.3
231.10159	4.2
241.01682	1.9
242.02141	4.5
243.02824	7.3
245.04597	2.0
257.04440	2.3
258.01611	4.6
259.02393	6.2
263.12805	4.1
270.01596	5.1
271.02393	5.7
272.03116	4.9
273.03784	2.0
274.04642	2.0
275.09137	4.4
285.04004	9.6
286.01065	4.7
287.01904	20.9
287.05466	6.4
288.02313	2.1
299.01932	4.1
301.03510	9.1
302.04318	7.4
303.04816	2.8
307.11880	37.9
308.12253	2.5
313.03445	6.8
315.01581	7.5
315.04794	2.8
316.01895	2.8
330.03717	25.5
331.04593	14.0
343.06433	2.1
364.67963	1.7
407.10110	13.3
408.10095	2.0
449.11246	7.6
475.09006	3.5
493.09781	97.8
494.09863	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	3.6
59.01248	4.8
61.98695	0.5
62.42191	0.5
69.31975	3.2
69.32396	1.7
78.95773	12.8
79.95597	0.6
93.03329	0.6
96.95897	9.7
97.06496	0.7
101.02316	0.8
109.06488	0.6
113.09612	14.6
114.09944	0.6
139.11205	1.5
140.01057	3.2
145.96506	0.6
149.09694	0.9
152.99501	1.6
167.10684	2.4
167.11938	0.6
179.10677	2.3
191.05519	3.2
195.13834	2.3
196.03708	1.4
214.04820	4.5
249.22160	1.9
275.20236	0.7
284.48904	0.6
293.21222	100.0
294.21576	10.7
297.87097	0.6
395.65939	0.7
405.15015	5.3
426.15555	4.7
447.15781	1.0
448.15015	3.8
469.15506	1.1
490.25729	17.7
490.32834	1.1
491.26114	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.5
59.01251	37.2
59.03322	0.9
61.98704	2.4
69.03321	11.1
70.36467	3.1
71.01250	9.0
71.17760	0.8
73.02821	2.7
74.98946	1.0
75.00742	2.0
78.95753	1.3
79.95585	2.1
82.18626	0.9
83.01270	1.9
83.04899	1.4
85.02813	3.9
87.00779	1.8
89.02317	6.3
93.03339	3.4
95.01254	1.5
95.04904	1.3
95.95055	1.1
96.95889	15.5
97.02820	2.4
97.06481	1.2
99.00727	0.9
101.02318	5.5
109.02820	1.5
113.02315	3.8
118.97993	8.0
119.03387	2.4
137.02303	2.9
151.11201	6.0
155.10693	2.2
159.08130	1.5
161.02315	1.1
161.04466	3.8
167.10670	2.8
177.09145	19.8
178.09406	1.2
179.05489	1.2
191.05498	4.9
195.10199	100.0
196.10551	6.3
198.15089	0.9
203.01877	1.3
253.09279	22.8
256.99521	1.3
285.11157	1.7
291.49530	1.0
313.03607	1.7
329.10327	2.6
329.14008	1.0
343.99976	1.3
344.98816	0.9
389.22122	1.1
405.08368	1.4
431.19034	3.9
491.16446	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97001	0.7
54.28959	0.8
57.03322	0.7
59.01252	100.0
60.01592	1.4
61.98699	1.6
69.03334	1.3
71.00849	0.9
71.01254	17.5
71.53168	1.0
72.99206	1.2
73.02818	15.0
75.00748	1.1
79.95611	7.8
80.96409	1.4
83.01235	5.1
85.02830	5.0
87.00766	2.1
89.02312	6.3
93.03355	2.2
95.01267	2.0
95.95083	0.9
96.20629	0.8
96.95889	65.6
97.02831	1.4
99.00785	1.2
101.02326	21.4
109.02833	2.5
113.02326	9.7
119.03381	4.4
119.04935	3.8
125.02300	1.9
128.03448	0.8
131.03453	1.5
135.04385	1.2
143.03412	1.7
143.04482	1.7
149.04443	4.1
149.30193	0.9
153.01831	3.0
153.09103	5.5
155.10648	3.9
160.01552	1.2
161.04460	6.9
163.03966	4.7
164.98602	2.6
173.04495	1.0
191.05548	8.9
199.09705	2.3
203.01971	1.6
209.15440	6.2
211.13481	0.8
221.06682	1.7
241.00157	4.8
245.94957	0.9
272.08978	4.3
283.01218	1.0
361.15088	1.3
371.20648	5.5
389.21802	3.0
405.08661	1.9
431.13733	1.3
431.22476	8.3
432.22513	1.1
449.08484	1.2
449.14819	34.9
450.15219	3.9
490.69107	1.0
491.15964	31.4
491.27957	7.0
492.15924	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45316	0.1
55.01752	0.4
58.00466	0.2
59.00954	0.2
59.01249	3.7
70.70465	0.5
70.85991	0.1
71.01254	3.4
72.10342	0.1
72.99166	0.3
73.02819	0.9
78.95786	0.4
83.01260	0.5
85.02819	0.8
86.58159	0.1
87.00754	0.4
89.02317	2.9
91.03890	0.2
95.01255	0.3
95.22880	0.1
99.00758	0.4
101.02328	3.6
103.03869	0.2
103.44369	0.1
113.02325	1.9
119.03392	1.1
131.03403	0.2
133.04951	0.4
136.74924	0.1
143.03436	0.3
152.99533	0.3
157.04865	0.2
159.21051	0.2
161.04460	1.3
170.67564	0.1
179.05487	0.5
222.46085	0.2
232.17804	0.2
235.08183	1.5
253.09276	11.9
254.09628	0.6
255.23268	100.0
256.23618	9.2
256.26395	0.3
408.59998	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20140	0.5
53.52598	0.5
55.01765	0.6
57.03332	0.5
59.01249	100.0
60.01599	0.9
61.98692	0.7
67.00721	0.5
69.03319	1.2
70.99459	0.6
71.01253	10.1
71.01614	0.7
71.07376	0.5
71.52882	0.9
72.99172	1.4
73.02813	3.2
78.95772	0.7
79.95618	1.6
80.96390	0.6
83.01262	1.7
83.04900	0.7
85.02817	4.3
87.00761	1.4
89.02337	2.5
95.01276	1.1
96.95882	22.2
98.95458	0.6
99.00780	1.0
101.02317	7.6
103.00253	1.2
106.69078	0.5
109.84225	0.6
111.00850	0.5
113.02332	3.6
119.03437	0.7
135.04411	0.5
137.09641	2.1
143.03392	1.5
152.99500	0.8
161.04449	2.8
164.98636	1.2
166.26096	0.6
187.07635	0.5
191.05576	2.9
201.65533	0.6
206.22093	0.5
207.13913	0.8
209.11819	1.2
210.12132	0.7
211.12364	0.8
225.14952	6.1
228.59726	0.5
241.00276	1.5
267.16101	0.7
369.19183	11.7
370.19598	1.6
387.20248	11.8
387.25012	1.0
388.20538	1.6
403.07217	1.3
403.12717	13.4
404.13208	1.7
429.21393	8.6
430.21658	1.5
445.13599	5.2
489.12738	4.1
489.19775	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99665	0.1
53.32666	0.1
54.69605	0.1
55.01752	0.2
57.03306	0.1
58.00457	0.2
59.00953	0.2
59.01250	4.5
61.98703	0.2
65.12931	0.1
68.05719	0.1
69.03298	0.1
69.31485	0.8
69.62857	0.1
70.80222	0.1
71.01253	3.7
72.01580	0.1
72.99166	0.3
73.02812	0.9
76.45464	0.1
83.01251	0.5
83.04851	0.1
85.02824	0.9
87.00743	0.4
89.02314	3.1
91.03902	0.1
95.01247	0.3
97.02824	0.2
97.06470	0.1
99.00751	0.1
101.02323	3.7
103.03931	0.1
113.02329	1.8
115.03875	0.2
119.03394	1.0
125.02306	0.1
131.03398	0.2
133.04958	0.3
143.03387	0.2
149.04468	0.1
159.27130	0.1
161.04456	1.2
179.05524	0.4
199.80588	0.1
235.08281	0.9
235.20647	0.3
253.09294	12.1
253.21701	100.0
254.09581	0.6
254.22044	10.2
333.62326	0.1
406.03201	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82866	0.3
59.01252	100.0
60.01595	0.9
69.03329	0.5
69.75018	0.3
71.01239	2.4
71.54611	0.4
73.02820	1.0
79.95631	0.5
83.04911	0.4
85.02824	1.9
87.00751	0.5
89.02367	0.8
93.03349	1.4
96.95879	4.6
98.95491	0.8
101.02316	1.5
106.52571	0.3
108.63892	0.3
109.02843	0.6
111.04404	0.4
113.02353	1.1
133.02844	0.8
135.04440	1.4
141.93904	0.3
145.48737	0.3
150.73090	0.3
161.04486	0.6
173.04536	0.6
177.01865	0.4
178.02525	0.3
178.98651	0.3
183.10287	1.0
191.05551	4.4
207.10240	0.4
209.11855	1.2
211.13396	0.4
215.05675	0.6
219.39638	0.3
225.11447	0.4
241.00298	0.6
315.18109	0.5
351.07401	0.6
403.10666	0.8
403.15152	1.0
445.16513	0.5
446.13559	0.3
489.27322	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.9
59.01251	100.0
60.01581	1.0
61.98702	1.4
69.03334	2.8
69.03649	0.5
71.01242	3.9
71.53365	0.5
72.99175	0.7
73.02835	1.5
74.02388	0.5
74.08309	0.5
75.00760	1.6
75.38445	0.4
79.95606	2.8
83.01273	0.7
85.02848	1.9
87.00758	1.2
89.02316	1.2
93.03333	1.2
95.95122	1.7
96.95891	12.5
97.02841	1.1
98.95464	2.7
99.00777	0.8
101.02323	2.8
103.00271	1.6
113.02328	1.4
114.02579	0.5
124.03921	0.5
133.02829	0.5
135.04425	1.7
141.09134	1.3
155.08194	1.0
161.04547	1.0
179.03438	1.3
183.07719	1.1
191.05560	5.6
192.05840	0.7
207.13907	2.0
225.15001	0.7
227.06764	2.4
232.98987	0.5
238.98613	0.8
255.03091	0.6
256.99744	2.9
261.05429	2.4
275.09531	0.5
299.00839	0.9
342.99908	3.5
369.18903	2.4
387.20319	1.4
403.14838	3.3
429.21420	1.7
445.16058	1.5
489.14703	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58499	2.2
59.01239	6.2
61.98691	4.9
67.01745	2.1
71.52922	1.8
82.02856	5.9
84.04423	3.2
86.68793	2.5
96.95895	5.5
100.07592	2.2
101.07085	15.5
109.03986	4.9
116.07059	63.7
117.03353	3.5
118.24432	2.6
119.04916	2.6
123.03177	3.3
127.05025	23.1
127.08731	2.6
128.03424	27.2
130.08672	2.7
134.03630	4.0
145.02866	11.3
145.06094	37.7
154.07358	5.6
155.08150	3.4
179.11826	3.1
180.10216	30.3
183.11327	4.5
185.16508	13.5
191.05568	2.9
195.11198	2.1
197.00700	2.0
197.12880	6.4
223.10838	15.3
229.15501	5.5
239.12715	3.2
241.11900	8.0
296.19812	11.6
322.04626	2.2
340.18729	57.1
341.19080	7.2
370.16101	5.6
443.12399	2.8
451.21973	6.0
469.22964	30.8
470.23431	4.4
487.24103	100.0
488.24271	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.3
57.03307	0.1
58.00468	0.2
59.01249	6.0
60.01582	0.1
61.98690	0.1
69.03316	0.2
69.95354	0.2
69.95770	0.2
71.01250	4.4
72.01575	0.1
72.99176	0.3
73.02821	0.9
75.00751	0.1
82.69200	0.1
83.01258	0.7
83.04889	0.2
85.02828	0.9
86.67444	0.1
87.00747	0.5
89.02318	3.2
91.03880	0.1
95.01259	0.3
97.02834	0.2
97.06437	0.1
99.00764	0.2
101.02321	4.1
103.03914	0.1
111.04412	0.1
113.02324	1.9
115.03885	0.2
119.03383	0.9
125.02329	0.1
131.03389	0.1
133.04953	0.4
143.03372	0.3
148.71036	0.1
157.04958	0.2
161.04468	1.3
179.05583	0.4
198.12941	0.1
231.17346	0.1
233.19083	0.9
235.08202	1.1
251.20131	100.0
252.20473	9.9
253.09248	13.3
254.09637	0.8
277.21649	0.2
349.75287	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1049
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
53.78844	0.4
59.01250	22.4
61.98717	1.0
63.02277	0.6
65.00198	0.6
69.03349	1.3
73.02809	0.8
73.77387	0.4
78.95815	0.5
79.95632	0.5
83.01241	0.8
85.02860	1.3
89.02319	0.5
91.01811	0.6
93.03332	3.6
93.03738	0.3
96.95898	4.5
96.96898	0.5
97.02850	0.7
98.95455	2.7
99.00704	0.6
101.02381	0.9
107.01300	1.4
108.02123	0.6
109.02853	0.9
119.03434	0.5
119.04924	0.5
132.02078	1.0
135.00784	1.5
135.04436	1.2
137.02332	3.2
141.01826	0.6
141.37201	0.4
143.04982	0.7
145.02780	0.4
145.49608	0.4
146.03647	0.6
151.00261	1.7
153.01878	0.6
157.06522	0.7
159.04381	0.8
161.04495	0.4
163.00299	1.9
177.01804	1.1
179.03429	1.9
183.04468	0.8
185.06018	2.1
187.03827	2.1
190.99782	0.5
191.05548	5.6
192.05811	0.7
197.05968	0.9
199.03963	0.5
211.03961	2.0
213.05469	1.3
227.03456	25.4
228.03879	1.8
229.05028	8.3
239.03474	1.6
240.04214	0.8
241.05061	1.6
255.02972	54.1
256.03467	6.9
257.04550	5.4
261.05472	0.7
267.02893	0.6
283.02249	0.6
283.09900	1.5
284.03265	78.9
285.04013	100.0
286.04404	8.9
327.05157	0.8
327.08615	0.5
390.17960	0.4
402.15167	0.6
403.14819	3.7
421.16022	0.5
432.61758	0.5
445.15781	1.9
489.10297	40.1
490.10730	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	16.4
60.01590	0.8
71.01251	2.1
71.41348	0.4
71.50060	0.4
71.52791	0.7
73.02801	1.3
79.95608	7.5
80.96406	2.8
83.01262	0.6
85.02835	1.4
87.00759	0.4
96.95888	100.0
97.95798	0.7
98.95485	0.9
99.00748	0.7
101.02331	2.2
103.00246	6.9
106.11983	0.4
108.40562	0.4
113.02322	0.9
114.81239	0.4
138.96997	0.8
150.96979	0.4
152.98497	1.4
164.98592	2.3
174.71365	0.4
175.40916	0.4
180.98053	2.5
191.05478	0.5
207.12808	0.4
241.00235	3.3
243.02794	0.5
250.81436	0.4
256.99863	0.5
272.03061	0.5
315.43549	0.4
342.99963	0.4
385.11700	1.5
403.12756	81.5
404.13107	5.9
445.13818	28.7
446.14111	3.3
471.11740	1.5
489.12814	16.3
490.13177	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1952
Annotation	Terretonin
Peak:m/z	Relative Intensity
59.01249	34.5
61.98707	0.7
69.03340	0.9
71.01234	2.5
71.52662	1.3
73.02837	0.6
73.19920	0.6
78.95774	21.7
79.95592	1.4
80.02545	2.3
80.81985	0.6
80.96387	0.6
81.03328	1.4
83.04893	7.3
84.02025	1.6
85.02814	1.6
93.03346	0.5
95.04884	1.2
96.95889	15.7
96.96845	1.9
98.95457	6.9
98.96182	1.1
101.02288	0.9
103.00242	1.5
113.02329	1.8
125.05977	0.8
135.04408	0.9
135.08064	1.3
150.55310	0.7
152.99490	34.4
163.11192	7.3
164.98523	1.2
165.12756	3.5
171.00577	2.8
191.05553	4.1
191.10695	1.8
209.11768	100.0
210.12074	8.7
227.03294	3.7
227.12846	12.7
228.13275	0.8
231.67177	0.7
244.10722	0.6
245.04300	1.1
324.10446	0.7
357.07849	0.7
373.15341	0.6
400.13525	0.9
400.61020	0.7
401.14331	10.4
402.14621	1.2
443.15668	4.9
455.16876	16.7
456.17120	1.3
487.19571	70.6
488.13684	1.1
488.19949	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01600	1.0
69.03333	0.2
69.45882	0.4
69.46287	1.3
71.01250	2.2
73.02823	3.2
79.95621	0.9
80.96397	0.2
83.00810	0.2
83.01242	1.1
85.02827	0.5
89.02340	0.8
93.93967	0.2
96.95885	9.6
97.02863	0.3
98.19801	0.3
101.02319	3.9
103.00266	0.7
104.41133	0.2
109.02872	0.2
113.02312	1.0
119.03427	0.3
131.03366	0.3
143.03413	0.4
149.04448	0.3
151.00259	0.4
155.03445	0.2
161.04494	0.6
162.85347	0.2
163.11270	0.3
164.98540	0.5
174.62132	0.2
177.01834	0.2
187.11192	0.2
191.05498	0.3
205.12262	2.8
205.14082	0.3
223.13420	0.7
238.20181	0.2
241.00224	0.4
401.14911	8.0
402.15390	0.7
437.42856	0.2
443.16095	3.5
485.17514	0.3
487.15009	3.1
487.21420	0.3
488.15265	0.3
493.28552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.6
57.03305	0.9
59.01250	100.0
60.01588	1.0
61.98694	0.5
68.20842	0.3
69.03324	1.2
69.43584	2.8
71.01252	11.9
72.99191	0.6
73.02820	17.2
74.03156	0.4
79.95604	0.5
80.96394	0.3
83.01255	6.7
83.04918	0.5
85.02817	2.2
87.00735	0.8
89.02312	2.0
93.03348	1.1
95.01285	0.5
96.95888	5.7
97.02844	0.7
97.06477	0.3
101.02319	16.4
103.00269	0.4
108.02052	0.7
110.39411	0.3
113.02320	4.4
119.03408	1.5
125.02400	1.0
131.03438	1.4
135.04405	0.6
143.03398	1.9
145.06137	0.3
149.04468	2.6
161.04466	4.5
163.11206	0.7
165.09143	1.1
185.69949	0.3
191.05524	6.2
196.78955	0.3
203.05505	0.5
205.12337	0.7
221.06596	1.6
223.13350	6.4
224.13680	0.5
227.72241	0.4
229.12434	0.8
235.13368	1.7
237.14915	1.7
241.00310	0.6
247.13361	1.8
265.14444	3.8
307.15518	0.5
374.82492	0.4
401.11469	1.2
443.12393	2.6
469.16507	0.6
487.11435	1.0
497.03030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.2
57.23232	0.2
58.83867	0.2
59.01251	100.0
60.01595	1.1
63.55150	0.2
65.00168	0.2
68.11096	0.2
69.03333	0.3
71.01251	2.7
72.99186	0.2
73.02822	2.8
79.95609	1.9
80.96406	0.3
83.01247	1.2
85.02850	0.6
87.00778	0.3
89.02325	0.5
93.03368	0.3
95.01283	0.3
95.95104	0.4
96.95889	22.8
98.95473	0.4
99.00785	0.3
101.02326	3.4
103.00243	1.7
107.01277	0.3
107.04933	0.3
109.02847	0.2
111.00776	0.3
113.02345	1.4
119.03334	0.2
123.00774	0.2
125.02319	0.4
128.54945	0.2
131.03386	0.3
134.97394	0.2
135.04425	0.2
138.01875	0.4
139.00288	0.2
139.54065	0.2
141.01828	0.2
143.03357	0.3
149.05948	0.2
150.96938	0.4
151.00273	0.8
152.00980	0.2
152.98518	0.3
155.03484	0.2
161.04510	0.8
163.11226	0.4
164.98576	0.6
166.99779	0.2
169.01363	0.4
171.04242	0.2
177.01852	0.9
178.99831	0.4
180.98088	0.4
191.05540	0.7
205.12285	2.6
206.12556	0.2
223.13387	0.3
241.00223	1.2
256.99783	0.8
283.01416	0.2
285.96649	0.2
292.30875	0.2
299.01093	0.4
308.24445	0.2
315.04849	0.3
342.99722	1.1
383.14120	0.5
401.14890	19.6
402.15195	2.0
407.08368	0.4
415.33029	0.2
443.15994	7.4
444.16171	0.8
463.44455	0.2
469.14175	0.3
487.15076	5.7
487.21649	0.4
488.15518	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11121	0.1
59.01251	100.0
60.01593	1.2
61.98702	0.4
69.82816	0.2
69.83224	0.5
70.61168	0.1
71.01260	0.3
73.02841	0.1
79.95644	0.2
89.02335	0.2
94.08897	0.1
95.15067	0.2
96.95888	3.6
101.02321	0.2
103.00233	0.2
113.02328	0.2
132.53223	0.1
152.98500	0.1
190.09616	0.1
191.05530	0.2
221.10149	0.1
286.81567	0.1
390.59091	0.1
399.16916	2.8
400.17337	0.3
441.17941	1.2
485.17435	0.7
485.24585	0.4
485.32785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87309	0.6
58.72974	0.7
59.01223	0.8
71.09615	0.7
73.54933	0.6
75.43224	0.6
88.03911	59.3
89.04196	0.8
98.20573	1.8
147.08005	2.5
149.09610	1.9
153.62392	0.6
161.09645	0.9
163.11154	3.6
187.11191	2.8
188.11354	0.7
279.13852	1.6
280.14685	0.8
309.22183	2.9
321.18799	0.9
322.19534	0.9
337.21701	100.0
338.22070	15.1
338.59692	0.7
354.17963	0.6
382.64743	0.7
486.26828	12.9
487.26895	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	27.5
69.03346	0.6
71.01247	1.7
71.10492	0.5
71.10838	0.4
71.99685	0.4
73.02811	0.8
79.95604	6.4
79.96031	0.6
80.96403	2.4
83.01219	0.3
85.02819	1.2
86.46056	0.3
93.03363	0.5
96.95888	100.0
97.02856	0.5
97.95850	0.5
98.95499	0.4
101.02301	2.4
103.00250	7.8
109.02856	0.4
111.00733	0.5
113.02327	1.1
134.03683	0.4
135.04430	0.6
152.01031	0.5
152.98544	0.9
161.04468	0.6
164.67975	0.4
164.98538	3.2
165.09163	0.6
167.03436	0.7
168.03784	0.7
180.98047	2.4
185.00932	0.4
191.05563	1.7
241.00133	3.2
383.13812	2.1
401.14850	95.3
402.15149	10.1
443.15921	36.1
443.24719	0.6
444.16232	4.7
469.13873	1.9
487.14914	24.7
488.15463	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60217	0.2
58.88916	0.2
59.01252	100.0
60.01584	1.2
61.98705	0.7
62.44804	0.2
63.34400	0.2
67.08837	0.2
69.03332	0.6
69.25563	2.1
70.66801	0.2
71.01250	0.5
79.95618	0.2
85.02819	0.4
87.00734	0.4
89.84509	0.2
93.03368	0.5
96.95892	2.3
98.95501	0.5
116.92758	0.7
117.29832	0.2
133.31023	0.3
133.32008	0.3
135.04449	0.3
178.02637	2.5
179.03299	0.4
191.05571	1.9
193.04997	4.5
193.06572	0.4
194.05383	0.4
208.07372	3.4
223.09718	7.6
224.10155	0.8
248.18500	0.3
249.45183	0.3
297.03830	0.3
341.06921	0.3
390.03720	0.5
394.94434	0.2
401.14688	1.1
443.15726	0.5
487.13269	0.5
487.25311	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1699
Annotation	Callophycoic acid A
Peak:m/z	Relative Intensity
55.01708	0.4
59.01250	14.7
71.01255	1.4
71.08016	0.5
71.08350	0.8
75.43979	0.5
79.95606	6.1
80.96388	2.6
85.02808	1.5
93.23887	0.4
96.95887	100.0
101.02311	2.3
103.00243	9.2
113.02332	0.7
138.96919	0.9
150.96962	0.9
152.98560	1.1
164.98584	3.1
180.98048	2.3
241.00182	2.3
246.16678	0.5
319.01797	0.6
381.15836	1.6
399.16904	98.3
400.17172	9.3
441.17963	36.1
441.24222	1.2
442.18347	4.7
467.15872	1.3
485.16974	26.0
486.17484	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02958	0.1
51.95638	0.1
55.01748	0.3
57.03318	0.2
58.00463	0.3
59.01250	8.6
59.05247	0.1
65.85432	0.1
69.03299	0.1
70.61900	0.1
70.86111	0.3
71.01250	4.7
72.99162	0.3
73.02826	1.1
79.84399	0.1
81.03357	0.1
83.01254	0.7
83.04889	0.5
84.73438	0.1
85.02815	1.3
87.00739	0.5
89.02316	4.3
91.03884	0.2
95.01247	0.5
97.02811	0.1
97.06495	0.1
101.02319	4.8
103.03867	0.1
113.02332	2.1
115.03881	0.3
119.03384	1.1
125.02337	0.3
133.04939	0.3
143.03415	0.4
157.04929	0.2
161.04457	1.8
162.04765	0.1
176.52724	0.1
177.16338	0.2
179.05524	0.8
205.19600	0.9
231.17545	1.0
232.17592	0.1
235.08182	1.5
247.16980	0.2
249.18568	100.0
250.18903	9.3
253.09254	15.6
254.09637	1.0
434.19998	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.4
57.03315	0.2
58.00471	0.3
59.01247	9.0
60.01596	0.1
67.01744	0.1
69.03307	0.2
70.32277	0.3
71.01247	5.5
72.01598	0.1
72.99176	0.3
73.02811	1.2
73.56826	0.1
81.03345	0.1
83.01250	0.7
83.04878	0.4
85.02814	1.3
87.00750	0.6
87.14175	0.1
89.02311	4.7
91.03886	0.2
95.01266	0.5
97.02814	0.2
97.06454	0.1
99.00762	0.3
99.04372	0.1
101.02318	5.1
102.02654	0.1
103.03929	0.1
113.02322	2.5
114.02676	0.1
115.03927	0.1
119.03381	1.3
123.03125	0.1
125.02318	0.2
131.03380	0.2
133.04941	0.4
142.10654	0.1
143.03397	0.6
153.02002	0.1
157.04951	0.2
161.03214	0.1
161.04456	1.8
177.16362	0.3
179.05508	0.6
200.06737	0.1
203.18069	0.1
205.19534	0.9
216.93954	0.1
217.07350	0.1
230.75279	0.1
231.17487	0.9
232.17973	0.1
235.08192	1.2
247.16850	0.3
249.18556	100.0
250.18890	9.9
253.09242	16.4
254.09554	0.9
468.15793	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60954	0.1
57.03316	0.2
59.01251	13.0
59.45106	0.2
60.01577	0.3
61.23679	0.2
67.01780	0.3
69.03326	0.3
69.93455	0.4
69.93867	0.5
71.01263	1.7
72.99184	0.5
73.02820	1.1
76.96889	0.3
78.95784	0.3
79.95609	6.6
80.96389	2.8
81.03337	0.2
83.01248	0.4
83.04919	0.2
85.02821	1.5
87.00726	0.8
89.02316	0.6
93.03337	1.8
95.95113	1.0
96.95889	100.0
97.02844	0.2
97.95821	0.3
98.20538	0.2
98.95447	0.3
99.00766	0.3
101.02332	1.8
103.00253	8.0
104.00555	0.2
109.02836	0.4
111.04408	0.2
111.08060	0.4
113.02316	0.6
119.03426	0.2
120.95943	0.2
122.97470	0.4
123.04311	0.2
125.02329	0.2
134.03592	0.2
137.02324	0.6
138.96976	1.0
138.98643	0.2
143.03372	0.4
147.15927	0.2
150.96982	0.6
151.00301	0.2
152.98494	0.8
152.99576	0.3
161.04477	0.2
164.97270	0.3
164.98546	3.4
171.71770	0.2
173.04492	0.9
173.08104	0.3
180.98042	2.3
191.05545	2.8
201.12735	0.2
204.11359	0.3
219.13861	0.4
222.99214	0.2
225.00714	0.3
225.11212	0.2
241.00217	3.8
256.99677	0.5
263.12869	1.7
283.01685	0.3
381.12170	2.0
382.12524	0.3
399.13287	86.1
400.13580	9.3
441.14340	32.0
442.14667	3.8
467.15488	1.4
485.13187	21.5
486.13535	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68875	0.6
57.03326	0.5
57.86293	0.6
59.01251	13.0
61.98683	1.0
65.66495	0.6
69.03336	1.2
69.57742	4.2
71.01261	2.5
72.99178	0.9
73.02827	0.9
75.00723	0.8
77.74613	0.5
79.95600	5.3
80.96394	2.3
85.02825	2.2
87.00757	1.0
89.02347	0.6
93.03325	1.5
96.95889	86.5
97.02815	0.6
101.02320	2.8
103.00259	7.7
109.02839	0.6
113.02339	1.2
123.00752	0.6
124.93864	0.5
129.10887	0.4
135.04410	1.0
139.03880	1.7
140.04225	1.0
141.01846	0.7
152.98494	1.6
153.01924	0.8
159.54375	0.5
161.04427	0.8
164.98579	5.3
173.04411	0.6
177.02016	0.5
180.98073	3.3
191.05566	4.4
241.00177	8.7
256.99750	0.6
263.16431	0.8
269.18692	0.5
319.17447	0.9
381.12192	1.9
399.13297	100.0
400.13574	8.0
441.14355	46.0
441.19156	1.0
441.20547	1.5
442.14587	5.4
444.51379	0.6
467.12177	1.2
485.13190	56.4
486.13455	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55650	0.5
51.02480	0.5
59.01249	100.0
60.01588	0.9
61.98706	0.7
65.21705	0.5
69.03334	0.7
69.83860	0.6
71.01260	1.7
71.53831	0.9
73.02810	0.8
75.00744	1.5
75.34664	0.5
78.95811	0.6
79.95641	0.9
93.03360	0.8
96.77437	0.5
96.95876	5.5
98.95374	0.6
101.02370	0.6
106.76424	0.6
119.42818	0.6
135.02911	0.8
135.04538	0.6
136.79616	0.7
148.95863	0.5
196.02518	0.6
214.20560	0.7
293.21359	2.4
374.39227	0.7
397.15079	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85577	0.3
55.23163	0.3
56.30104	0.3
70.39599	1.0
74.09606	0.3
77.70462	0.3
78.95776	18.8
84.34076	0.3
89.15767	0.3
93.95286	0.3
96.96862	1.8
98.19894	0.3
100.91944	0.3
106.22115	0.3
131.25630	0.3
149.62796	0.3
150.97906	0.6
152.99492	30.7
153.99753	0.6
171.00562	2.0
205.66853	0.3
227.03226	4.5
237.22173	0.5
245.04315	0.8
255.23274	100.0
256.23630	9.1
391.22534	1.0
483.27310	48.4
484.27573	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3116
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
59.01233	2.7
61.98700	1.3
63.78394	0.9
71.01283	1.2
71.53426	1.0
78.95753	0.9
95.95010	0.7
96.95883	3.1
101.02332	1.0
117.74878	0.9
134.65100	0.8
161.35612	0.8
162.17096	0.8
203.18004	1.0
239.48303	0.9
242.58406	0.9
247.16905	6.2
253.09184	1.6
353.19775	0.9
439.32141	100.0
440.32468	18.9
460.08249	0.8
483.31149	40.0
484.25479	1.0
484.31534	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13923	2.2
59.01247	9.6
60.52927	3.0
65.00189	2.4
69.17933	14.3
69.18367	9.7
79.95596	20.1
83.01270	4.9
91.90541	2.2
93.03334	9.5
96.95891	100.0
103.00270	3.9
103.89096	2.4
107.01276	7.9
111.00714	3.6
123.00827	6.2
125.02318	4.5
137.02315	6.3
139.00255	6.3
148.01523	2.8
151.00305	19.0
151.03864	2.5
151.05852	2.6
152.01007	4.0
153.01837	5.6
154.99799	2.5
163.00275	5.0
163.04002	3.0
164.01048	3.0
165.01785	4.1
166.99792	3.9
169.01300	3.2
175.00354	2.5
177.01872	3.7
178.99809	15.8
191.05518	10.0
193.01332	3.0
194.99194	3.6
208.00136	3.2
211.04134	2.3
215.03418	4.1
241.00223	5.6
242.01968	2.6
243.02965	6.8
254.92476	2.5
255.03065	3.5
259.02454	3.1
271.02536	9.5
287.02051	5.0
288.02682	3.2
299.01913	6.9
300.02725	8.0
301.03503	4.8
303.04865	2.8
313.03616	5.0
315.04977	18.0
316.02170	4.3
317.02972	2.6
327.01184	2.9
331.04468	9.9
347.04099	3.0
356.04147	2.8
368.04080	2.8
372.03534	5.3
372.07639	2.8
386.05142	6.5
395.00586	4.1
397.11691	9.2
398.11749	5.5
399.13345	30.8
404.05933	8.0
404.10129	6.6
411.00580	3.2
441.14481	14.1
467.15707	3.9
484.05414	4.6
484.11575	3.3
485.13406	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95152	0.3
53.77308	0.3
54.56139	0.3
59.01251	14.1
69.03324	0.3
69.23150	2.4
69.23558	0.7
71.01250	2.0
73.02818	0.8
79.95601	5.0
80.96396	1.9
83.01281	0.5
85.02821	1.2
95.95134	0.4
96.95887	87.2
97.95844	0.6
98.20576	0.7
98.95441	1.5
98.96348	0.4
101.02335	2.3
102.38216	0.3
103.00246	10.2
113.02320	0.9
120.95827	0.3
122.97471	0.3
125.02393	0.3
138.96979	0.8
150.96971	0.7
152.35828	0.4
152.98521	1.2
157.06377	0.3
161.04543	0.4
164.98521	3.1
170.86870	0.3
180.98059	2.4
183.19183	0.3
191.05504	0.4
198.99203	0.4
209.11739	0.5
240.75647	0.3
241.00229	4.4
251.12714	0.3
379.14417	1.8
397.15353	100.0
398.15729	9.9
423.07666	0.3
439.16406	41.6
440.16782	4.6
465.14328	1.5
483.15390	36.1
484.15689	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	5.1
57.03322	4.1
58.00455	2.1
59.01249	100.0
60.99183	1.8
62.35787	1.6
65.46149	1.5
67.01759	4.1
69.03325	35.4
69.29415	15.7
70.03654	9.0
71.01252	59.1
72.99177	5.3
73.02808	15.8
73.47397	1.7
78.95773	5.3
80.04383	1.6
80.04913	1.5
81.03328	2.8
83.01259	6.3
85.02814	23.1
87.00760	12.9
89.02319	63.2
93.03329	24.7
95.01281	4.2
96.95881	25.5
97.02834	7.4
99.00778	11.5
100.01115	2.0
101.02320	46.0
109.02819	2.6
111.00766	11.4
111.04373	3.2
113.02341	18.0
114.02656	1.9
117.57114	1.5
119.03395	7.9
125.02432	2.0
131.03397	26.0
133.02843	4.8
134.03621	7.4
135.04390	3.3
135.80811	1.5
137.02332	5.9
141.01854	2.8
143.03409	3.3
149.04457	50.3
151.03668	1.7
152.99493	5.4
159.02951	2.6
161.02350	1.8
161.04453	11.0
173.00793	2.5
173.04500	15.3
178.02580	5.3
179.03284	2.0
179.05565	3.5
182.48817	1.9
185.00806	12.5
186.01106	4.7
187.01297	6.6
191.05542	46.9
192.05914	3.2
203.97832	1.6
241.00067	2.1
275.09256	3.2
289.16522	31.8
306.07452	12.6
307.08292	2.1
369.88593	1.6
380.19629	1.8
386.86865	1.7
401.08560	3.0
421.20795	83.9
422.21368	9.3
449.14346	3.9
481.10251	16.3
481.17117	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91615	0.8
51.66267	0.9
59.67125	0.8
70.44581	2.3
78.91583	0.7
78.95776	45.3
96.96857	3.6
113.02626	0.6
150.98030	0.8
152.99500	61.1
153.99779	1.2
170.99217	1.4
171.00565	17.7
192.12740	0.8
227.03223	3.0
245.04289	100.0
246.04614	2.8
253.21706	64.2
254.22060	5.8
481.18658	1.8
481.25693	36.5
482.26086	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	23.8
61.98702	100.0
62.08775	0.9
64.94427	0.9
69.03322	5.6
70.03654	1.6
71.01246	9.6
72.01591	1.4
72.50399	1.0
72.99183	0.9
73.02817	8.7
78.95776	1.3
79.95616	5.5
80.96371	1.6
83.01253	4.2
84.07883	0.9
85.02819	2.5
87.00729	2.1
89.02306	2.1
89.63298	0.9
92.16152	0.9
93.03328	3.0
93.78329	0.8
96.95891	28.0
97.02850	1.9
98.95461	2.6
100.38253	0.9
101.02326	10.3
110.02908	1.0
113.02328	3.9
130.40495	0.9
131.03358	1.3
133.02856	1.1
135.04393	1.4
137.02339	2.6
138.96944	3.1
149.04401	2.0
152.99504	1.3
161.04482	2.1
164.39691	0.9
173.04506	1.9
177.01813	1.2
178.02576	1.1
185.00804	1.3
186.01328	1.0
187.01262	0.9
191.05544	10.6
192.05945	1.1
209.11797	1.2
283.01315	2.0
284.01614	1.5
307.07813	1.6
396.14005	3.0
397.12619	1.1
438.15167	18.1
439.14392	2.7
482.14227	6.6
482.20111	1.5
483.14380	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.7
55.51246	1.6
57.03310	3.0
57.91491	1.4
58.00487	2.2
59.01254	100.0
59.14455	1.4
60.01595	2.1
60.99178	2.0
61.98693	2.1
67.01766	5.1
69.03333	40.1
70.03674	9.2
70.66710	3.2
70.67043	2.4
71.01257	78.4
71.03745	2.3
72.99178	5.8
73.02451	1.6
73.02826	18.9
74.80014	1.6
75.00743	2.1
78.95782	6.8
79.95597	3.2
81.03387	2.9
83.01252	7.7
85.02826	32.9
87.00749	14.2
89.02319	64.2
92.04909	1.6
93.03338	35.6
94.03685	1.9
95.01257	5.3
96.91006	1.3
96.95889	28.5
97.02834	8.8
98.08145	1.4
99.00759	17.3
99.04375	1.8
101.02325	55.6
109.02841	2.4
111.00765	11.7
111.04417	4.9
113.02322	25.4
116.78739	1.7
119.03394	9.0
124.01599	2.4
125.02345	3.7
126.57042	1.6
129.01830	2.8
131.03410	22.5
132.84969	1.7
133.02841	4.0
134.03619	10.2
135.04413	5.9
137.02414	8.0
139.03931	4.4
141.01848	2.4
142.02199	1.9
143.03410	2.8
149.02438	1.5
149.04474	39.8
152.99525	6.4
155.03467	1.6
159.02916	2.9
161.04517	12.5
165.01648	1.7
173.00897	2.6
173.04463	26.6
177.01813	2.1
178.02621	6.0
179.03334	4.2
179.05530	3.8
181.08879	1.7
185.00845	9.6
186.01144	5.8
187.01332	4.6
191.05537	48.7
195.83826	1.6
242.10878	1.6
256.99619	4.6
275.09189	5.6
289.16589	51.2
290.16983	4.8
306.07474	13.3
307.07968	3.9
401.08749	2.6
421.20813	75.0
422.20984	8.8
449.14539	5.5
481.10422	12.7
481.17383	11.3
482.10449	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	5.2
57.03337	2.7
58.00466	4.9
59.01250	100.0
61.98703	1.5
67.01785	2.4
69.03326	33.5
70.03664	6.4
70.67097	2.4
70.67432	3.3
71.01252	63.1
72.99181	4.9
73.02830	16.7
78.95781	4.5
79.95604	2.0
81.03318	1.7
83.01260	7.2
85.02818	21.0
87.00745	11.2
89.02316	53.7
93.03334	18.7
95.01283	3.9
96.95888	31.9
97.02812	8.2
98.03159	1.9
99.00737	9.4
100.01105	2.0
101.02317	46.5
111.00751	10.1
111.04434	3.8
113.02332	16.8
119.03400	7.2
121.02810	1.7
121.68958	1.6
123.49043	1.6
124.01586	2.0
125.02349	3.1
127.11065	1.9
127.62172	1.5
130.08774	1.5
131.03404	23.0
133.02859	3.9
134.03615	6.8
135.04440	5.9
137.02336	4.9
139.03908	2.4
141.01842	2.2
143.03384	3.5
149.04446	28.6
152.99501	3.8
161.04454	8.0
173.04489	12.0
178.02592	3.5
179.03455	2.9
179.05565	1.7
185.00850	6.5
186.01129	3.7
187.01244	6.2
189.59319	1.6
191.05537	37.0
196.64343	1.5
202.82001	1.7
216.46803	1.9
256.99741	2.2
289.16589	30.7
290.16965	2.4
306.07468	5.4
401.08798	3.6
421.20776	58.6
422.21051	7.9
481.10223	13.5
481.17020	5.2
482.10901	3.0
504.52158	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.8
58.00437	0.4
59.01244	2.4
59.98382	0.3
60.01600	0.3
60.99177	6.0
65.03829	0.6
67.01762	13.9
69.03323	5.2
69.56361	2.0
70.03675	0.5
71.01253	3.8
71.86678	0.3
73.02799	0.3
81.03333	2.7
83.04900	2.1
85.02823	1.2
87.00750	19.4
90.39178	0.3
93.03335	100.0
94.03674	3.9
95.01297	0.3
97.02837	0.7
97.06474	1.1
99.00745	1.7
99.04393	1.8
109.02823	0.9
111.04405	14.2
111.08026	0.3
112.04734	0.4
113.02318	1.5
115.03889	0.8
119.04924	3.0
121.28471	0.3
129.01833	2.9
133.02824	0.8
134.03632	17.7
135.04454	3.1
137.02348	0.8
143.03429	0.9
155.03413	3.3
163.03915	1.6
173.04469	58.8
174.04814	2.6
177.01846	0.8
178.02606	2.5
179.03398	0.5
185.00870	0.4
191.05545	1.3
215.09158	0.4
217.80519	0.3
223.88426	0.3
228.02545	0.3
231.10155	0.6
257.10416	0.4
275.09238	1.0
289.57968	0.3
306.07449	0.3
307.11908	3.1
308.12161	0.3
338.10135	0.3
345.05734	0.3
412.27820	0.4
449.14526	11.7
450.14828	1.9
481.17123	36.8
482.17429	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50344	0.2
57.03313	0.3
59.01247	1.7
63.04492	0.2
67.01752	0.8
69.03336	2.1
69.31115	0.8
69.31536	1.5
70.03664	0.5
70.09502	0.2
71.01244	1.2
73.02821	0.3
79.95572	0.4
81.03328	0.6
82.12210	0.2
83.04896	2.0
85.02823	7.0
87.00749	2.2
93.02762	0.6
93.03339	8.0
96.95890	5.4
97.02830	0.8
99.00765	0.7
109.02844	1.0
111.04430	1.6
113.02380	0.3
127.03893	1.8
129.01849	0.3
137.02333	0.3
141.01846	0.5
152.98517	0.3
159.04393	0.3
171.02896	0.5
173.04474	2.7
173.05878	0.4
183.04588	0.2
185.00824	0.7
186.01221	0.4
187.01376	0.5
187.03902	1.3
187.07565	2.4
188.07770	0.3
189.09175	0.3
191.05539	100.0
192.05882	3.6
202.06293	1.5
203.07143	0.3
213.09160	1.3
215.07008	0.7
225.15967	0.6
231.10191	1.5
241.00366	0.3
247.09798	0.5
257.08173	2.7
275.09323	1.7
289.10803	1.2
307.11734	0.6
327.24930	0.3
341.08932	0.4
346.45221	0.3
436.28159	0.4
449.14499	7.2
449.31177	0.3
450.14792	1.0
463.29449	0.4
481.13843	2.8
481.30426	0.8
482.14069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16225	0.1
56.00379	0.2
57.03295	0.2
59.01244	1.3
60.99166	0.2
61.98716	0.2
66.31218	0.2
67.01762	0.6
69.03322	1.9
69.85005	1.0
70.03676	0.3
71.01250	0.8
73.02832	0.4
75.14344	0.2
79.95607	0.3
81.03338	0.4
83.01225	0.2
83.04889	0.2
85.02822	7.7
87.00751	1.8
93.03337	4.8
94.12964	0.1
95.01240	0.2
96.95884	2.4
97.02840	0.7
99.00765	0.3
101.02319	0.3
109.02840	1.2
111.04385	1.4
113.02338	0.4
120.99402	0.2
121.02823	0.2
127.03893	1.9
134.03639	0.2
135.04362	0.3
137.02345	0.5
141.01825	0.4
141.18753	0.2
142.02188	0.2
155.03346	0.3
171.02911	0.6
173.04475	2.6
173.05893	0.2
177.39351	0.2
184.05147	0.3
185.00887	0.4
186.01144	0.2
187.01361	0.3
187.03966	0.4
187.07564	1.9
191.05537	100.0
192.05881	3.9
198.06305	0.2
200.04767	0.3
201.05547	0.3
202.06245	1.4
203.06981	0.2
213.09184	1.5
214.09415	0.2
215.07231	0.2
225.11319	0.2
228.04340	0.3
231.10229	2.8
232.10512	0.3
241.00252	0.2
257.08194	0.8
275.09225	1.7
289.07520	0.2
289.10788	0.6
345.14532	0.2
449.14508	9.0
450.14862	1.5
481.12930	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35946	0.4
57.03323	1.1
59.01247	2.3
60.99174	4.3
67.01760	14.0
69.03326	5.9
70.39091	0.4
71.01254	4.4
71.11755	0.6
71.12084	0.6
81.03327	2.8
83.04888	1.7
85.02814	1.4
87.00749	20.2
93.03332	100.0
94.03676	3.0
96.95892	0.6
97.06454	0.7
99.00751	2.4
99.04388	1.8
101.02288	0.5
109.02811	1.0
111.04398	13.0
113.02333	1.9
115.03922	1.0
126.74039	0.4
129.01825	2.7
133.02840	2.1
134.03632	8.7
135.04427	4.4
137.02316	2.4
139.03912	0.8
143.03438	0.7
144.84277	0.4
155.03413	2.8
160.01706	0.5
173.04465	41.4
174.04788	1.7
177.01840	1.5
178.02626	8.6
179.03395	2.1
191.05486	2.1
191.21997	0.4
275.09235	1.2
308.09006	0.8
351.07150	0.6
352.07977	1.1
358.35226	0.4
427.30984	0.4
449.14487	25.0
450.14780	3.9
481.17136	16.7
481.24167	0.7
482.17389	2.5
494.73587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61537	1.0
57.03326	1.1
59.01245	5.2
60.99174	5.5
67.01756	14.4
69.03332	8.2
69.23633	10.4
71.01255	6.3
81.03329	2.5
83.04900	1.7
85.02818	1.1
87.00745	19.4
93.03335	100.0
94.03687	3.2
96.95892	2.9
99.00782	1.9
99.04409	1.6
109.02869	1.1
111.00805	1.1
111.04404	14.8
113.02316	2.1
115.03918	1.1
129.01810	1.5
133.02881	2.1
134.03647	8.0
135.04402	3.1
137.02333	2.9
143.09502	0.9
155.03419	3.8
162.03041	1.0
173.04474	63.2
174.04834	2.9
177.01842	1.6
178.02629	8.9
179.03410	1.6
186.01231	1.5
191.05498	5.2
275.09247	2.0
306.07370	1.4
352.08136	1.1
449.14517	48.9
450.14948	9.1
481.10556	2.0
481.17059	22.5
482.17401	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.4
59.01246	2.1
60.98856	0.2
60.99173	5.0
62.95512	0.2
64.17835	0.2
65.03831	0.8
67.01759	14.6
68.02088	0.6
69.03322	5.6
69.16666	0.2
69.26161	1.8
70.03643	0.4
71.01252	5.1
71.04874	0.3
73.02831	0.4
81.03329	2.8
83.04891	2.2
85.02827	1.1
87.00750	19.4
88.01108	0.4
88.97207	0.2
93.03333	100.0
94.03672	3.2
95.01263	0.3
96.95892	0.6
97.02827	0.5
97.06458	1.2
98.19721	0.3
99.00767	1.9
99.04373	1.7
101.02310	0.3
109.02828	1.0
111.04401	13.2
112.04733	0.5
113.02333	1.6
115.03891	0.8
129.01843	2.6
133.02831	0.8
134.03630	20.3
135.04468	3.6
137.02348	1.3
139.03862	0.2
143.03418	1.0
153.01822	0.2
155.03418	3.0
156.03812	0.2
159.33209	0.2
173.04474	62.7
174.04799	2.8
177.01849	0.8
178.02629	1.9
179.03311	0.6
185.00835	0.4
186.01083	0.3
191.05540	1.7
231.10228	0.8
275.09225	1.2
304.66550	0.2
307.11838	3.1
416.47812	0.2
449.14499	9.4
450.15027	1.2
481.17151	40.2
482.17517	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20641	0.3
59.01248	1.5
59.55472	0.3
67.01756	1.0
69.03327	1.2
69.94365	0.7
69.94774	1.1
71.01244	1.2
72.99189	0.5
76.28497	0.3
79.95607	6.2
80.96380	2.2
85.02826	1.1
87.00737	0.9
93.02724	0.4
93.03333	4.4
95.95104	3.3
96.95888	100.0
97.02833	0.6
97.95831	0.5
99.00772	0.4
101.02332	1.7
102.07556	0.3
111.04404	0.8
113.02345	0.5
122.97463	0.7
134.03636	0.5
138.96976	1.2
141.01794	0.8
150.97003	1.4
152.03474	0.4
152.98505	2.0
153.03740	0.5
173.04451	2.6
180.98030	2.8
185.00766	0.5
191.05518	2.7
198.99118	0.7
221.82300	0.4
225.00752	0.7
241.00211	7.1
242.00563	0.5
255.12727	0.4
256.99683	3.9
259.01260	0.4
285.02795	1.4
341.09015	0.5
402.08151	0.7
449.14838	6.5
450.15149	1.0
481.13797	70.6
482.14029	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.3
58.00455	0.5
59.01247	4.0
59.54354	0.4
60.99174	2.9
65.03832	0.7
66.75343	0.3
67.01759	8.4
69.03327	3.6
69.30141	2.5
70.03692	0.4
71.01253	4.4
73.02818	1.1
81.03319	2.1
83.04900	1.4
85.02814	1.7
85.60966	0.4
87.00748	11.7
87.04382	2.7
89.02303	0.8
93.03333	100.0
94.03661	3.0
94.99228	0.3
96.95843	0.7
97.02840	1.0
97.06421	0.8
99.00758	1.2
99.04390	1.2
101.02334	1.3
109.02832	0.7
111.04404	8.8
113.02313	1.4
115.03906	0.5
125.02358	0.4
129.01834	1.5
129.70894	0.3
133.02870	0.5
134.03630	10.2
135.04276	0.6
137.02339	46.3
137.09630	2.0
138.02698	2.0
141.16965	0.3
143.03418	0.9
151.11133	0.5
155.03430	1.3
155.10675	10.4
156.03825	0.4
156.11046	0.5
169.12250	0.5
173.04466	36.5
174.04800	1.3
178.02621	1.9
179.10703	1.4
181.08620	1.1
191.05505	1.8
191.10721	1.2
195.10236	0.7
199.09695	14.3
200.10033	0.4
213.11275	0.6
223.09633	0.6
225.11256	0.6
241.10757	4.7
242.11154	0.4
253.10828	1.3
255.12384	0.8
275.09305	0.5
283.11865	7.3
284.12253	0.5
289.16461	0.5
307.11905	1.8
343.14001	3.4
344.14801	0.4
421.20786	1.8
449.14481	6.7
450.14697	1.0
481.17151	26.5
482.17618	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39298	0.5
53.29874	0.5
59.01252	12.0
65.54000	0.5
69.64324	2.8
71.01254	2.0
73.02827	1.6
79.95614	6.0
80.96399	2.4
85.02828	1.0
86.41106	0.5
89.02320	0.6
94.98050	0.5
96.95890	100.0
98.20536	1.0
101.02322	1.6
103.00251	8.5
113.02314	0.7
122.97455	0.8
124.91508	0.5
138.96959	4.8
143.03355	0.5
150.97009	0.8
152.98534	2.8
164.98569	1.6
180.98055	2.7
198.99121	3.6
241.00221	8.4
259.01254	1.4
311.74933	0.5
377.12833	0.9
395.13776	83.0
396.14163	8.3
396.57111	0.6
427.32666	0.5
437.14847	39.9
438.15115	4.3
438.64685	0.5
463.12915	1.4
481.13882	34.9
482.14160	4.1
484.32925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
59.01251	12.8
59.23374	0.3
60.53980	0.3
66.09692	0.3
67.71490	0.3
69.03339	0.5
69.56471	2.8
71.01257	3.4
72.99171	1.2
73.02812	0.6
75.00761	1.0
79.95605	4.8
80.96387	2.1
83.01226	0.4
85.02818	4.5
87.00755	0.5
89.02319	0.6
89.46849	0.3
95.95099	1.1
96.95885	100.0
97.02833	1.6
98.95459	0.6
99.00751	1.6
101.02326	1.3
103.00250	8.4
113.02332	0.8
115.03880	0.9
129.01820	2.7
131.28268	0.3
138.96989	1.2
141.01787	0.6
150.96953	0.5
152.98515	1.3
154.36903	0.5
159.02866	1.0
160.00204	0.3
164.98544	0.7
168.98000	0.9
176.98541	2.4
177.03958	6.0
194.99658	1.5
219.05006	0.6
232.49380	0.3
238.98621	5.2
241.00163	2.5
256.99704	38.5
257.99997	1.8
265.17926	0.4
299.00809	5.8
308.02701	0.4
308.99280	0.4
327.07452	0.8
342.99933	0.5
361.69315	0.4
377.12573	0.7
388.47052	0.4
395.13779	70.6
396.14117	8.1
437.14844	36.8
438.15155	4.9
463.12802	2.1
481.13812	30.8
482.14282	4.5
504.18475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	13.3
60.93880	0.4
64.65795	0.4
69.64285	1.0
69.64705	1.3
71.01250	1.7
73.02826	0.8
79.95611	6.1
80.96387	2.6
85.02834	0.9
86.86680	0.5
87.00780	0.4
89.02337	0.5
89.63968	0.4
96.95890	100.0
101.02319	2.0
103.00252	8.7
113.02318	0.4
120.95995	0.4
122.97496	0.6
138.97014	2.4
140.54861	0.4
150.96899	0.5
152.98566	3.0
164.98576	2.0
180.98029	3.2
198.99155	1.8
214.21185	0.4
241.00200	7.2
242.00577	0.5
259.01248	1.2
286.49857	0.4
377.12836	0.9
395.13791	92.5
396.14127	10.9
396.18091	0.3
437.14862	40.1
438.15067	4.6
463.12820	1.1
464.13242	0.4
481.13852	36.9
482.14236	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04491	0.5
59.01253	15.1
71.01254	2.0
71.10938	0.9
79.95605	30.0
80.96394	2.1
85.02827	1.5
95.95106	11.5
96.95885	100.0
98.19913	0.5
101.02328	1.1
102.99612	0.9
103.00249	8.5
105.86295	0.4
113.02290	0.7
134.97455	1.2
138.96979	0.9
150.96971	4.8
152.98532	2.1
161.97833	0.5
164.98521	2.4
180.98067	1.1
194.99658	1.9
210.73041	0.5
241.00240	3.9
256.99719	5.6
266.59586	0.5
278.89807	0.5
314.23834	0.4
330.45676	0.5
377.12866	1.1
395.13773	96.4
396.14139	9.8
437.14819	38.6
438.15082	5.8
463.12909	2.0
481.13849	24.9
481.20947	1.0
482.14246	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84885	0.7
59.01252	1.0
69.03361	0.9
69.34144	6.4
78.95773	42.0
80.96250	0.7
93.32253	0.7
96.96873	3.2
127.11196	1.5
152.99492	56.2
163.72583	0.6
171.00563	15.3
227.03212	2.2
242.77113	0.7
245.04285	100.0
246.04674	4.1
251.20148	49.4
252.20566	4.4
280.23465	0.8
338.46365	0.9
470.68924	0.7
479.23981	24.3
480.24686	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01582	1.5
61.98697	0.6
69.03328	3.5
70.03656	0.4
70.11325	0.4
70.11725	0.9
71.01258	1.0
71.04912	0.2
72.45956	0.2
73.02831	0.3
78.95754	0.5
79.95614	1.8
85.02834	0.7
87.00740	0.3
87.04382	2.6
95.95119	1.0
96.95890	13.6
97.02837	0.8
98.95455	0.6
99.00752	0.9
101.02320	0.7
108.02124	0.3
126.13650	0.3
134.03609	0.4
135.04427	0.4
141.01846	0.5
152.98521	0.6
155.58588	0.3
161.04518	0.3
170.74170	0.2
185.00854	2.2
187.09990	0.3
191.05533	0.7
213.96556	0.3
220.19420	0.3
225.00690	0.5
241.00197	1.1
256.99701	0.5
271.02563	0.5
299.01962	0.3
300.02658	0.9
377.21753	0.6
392.64590	0.3
393.11981	1.2
399.10703	0.4
435.13583	0.6
439.04410	0.3
473.24515	0.3
479.19482	13.3
480.19852	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52421	0.2
59.01251	100.0
60.01586	1.2
61.98765	0.2
62.15375	0.2
69.03330	2.2
69.45753	1.6
71.01260	0.4
71.68658	0.2
78.95780	0.5
79.95612	0.7
85.02851	0.4
87.04393	4.2
93.03308	0.3
95.95094	0.2
96.08868	0.2
96.95882	5.4
97.02855	0.8
98.95480	0.9
99.00768	0.8
101.02349	0.3
117.28257	0.2
123.18381	0.2
133.02672	0.2
135.04437	0.5
141.01796	0.3
152.99570	0.5
163.07593	0.4
177.09155	0.3
185.00900	1.0
187.07544	0.5
191.05536	0.9
203.02240	0.2
204.07790	0.3
251.16547	0.8
256.99734	0.4
258.99878	0.3
293.10278	0.3
301.02914	0.3
330.03934	0.3
479.19363	4.5
480.19949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.7
59.01252	7.2
61.98702	1.6
66.03815	0.5
67.01745	1.2
69.03326	27.0
70.03664	5.6
71.01253	4.7
71.06528	0.7
71.06876	1.0
71.51211	0.5
72.99178	1.4
73.02822	0.6
79.01765	0.9
79.95620	5.4
79.96047	0.8
80.02121	0.5
80.96391	1.4
83.75405	0.5
85.02811	1.6
87.00758	0.8
93.03321	1.1
95.01253	2.9
95.95101	1.8
96.01611	0.5
96.95889	100.0
97.02827	20.6
97.06467	1.0
98.03155	4.4
99.00763	5.8
100.01134	1.1
101.02321	1.3
103.00234	3.6
107.01307	0.6
109.02841	1.7
111.00749	0.7
113.02332	1.0
118.13346	0.5
122.03595	2.1
123.00766	1.5
124.01157	0.5
133.02870	3.0
134.03648	10.9
134.97501	0.7
135.04320	5.4
136.04784	1.6
137.02341	1.8
138.96965	1.2
141.01837	30.5
142.02165	10.3
150.96941	1.1
152.03435	47.6
152.98521	3.4
153.01833	2.0
153.03729	1.4
164.98419	0.5
173.04485	0.8
177.01826	2.5
178.02635	7.3
179.03142	5.6
180.03705	1.5
180.26173	0.5
180.98018	1.6
185.00838	14.6
186.01144	4.9
191.05554	6.6
194.99602	1.0
200.09264	0.5
203.01918	2.0
204.02196	0.8
222.99069	0.7
231.10257	1.1
232.10611	1.1
241.00200	42.0
242.00467	2.0
243.03018	1.0
244.03314	1.0
246.03838	0.6
256.99738	2.3
271.02374	1.4
272.02676	0.8
273.03040	1.2
274.03290	0.6
275.09344	1.7
276.09647	1.7
282.98135	0.9
283.01270	16.1
284.01675	1.2
286.04498	0.6
288.09644	0.5
293.10324	2.7
294.10638	4.5
300.02676	0.7
315.05023	2.2
316.05090	0.7
317.05234	1.0
327.00333	1.8
340.05103	0.5
394.04468	24.3
395.00375	0.6
395.04843	2.2
395.09753	0.8
421.11624	2.0
436.05539	24.7
437.05847	3.1
449.14713	1.7
462.03528	1.6
462.10938	0.7
479.11285	1.7
480.04507	18.4
480.11478	10.6
481.04858	2.4
481.13828	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38494	0.6
58.26203	0.6
59.01232	0.6
71.53416	0.7
78.95779	9.5
96.96832	0.6
102.40633	0.7
109.59206	0.6
115.92632	0.5
140.01076	2.2
152.99460	1.9
170.96388	0.6
171.00577	0.9
196.03716	1.2
206.74179	0.5
210.96498	1.2
214.04744	2.3
245.04338	0.7
281.24847	100.0
282.25208	11.5
297.25616	0.7
301.96451	0.6
335.80585	0.6
395.64548	0.6
467.36118	0.7
478.29486	10.5
479.29785	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1957
Annotation	Paraensidimerin G
Peak:m/z	Relative Intensity
59.01247	3.6
61.98697	2.0
65.19808	0.6
69.03346	3.8
71.01257	1.9
71.53242	0.8
72.99194	0.9
75.00772	0.9
78.95779	2.5
79.95601	4.2
80.96402	2.2
95.95093	1.7
96.47043	0.7
96.95888	100.0
97.02814	1.4
99.00710	0.7
101.02310	1.8
101.63580	0.7
106.37799	0.7
110.98498	0.8
122.97448	0.7
138.96959	0.9
139.79611	0.8
141.01799	1.0
150.96951	1.4
152.98526	2.9
152.99603	1.7
171.10167	2.0
180.97993	2.7
184.70610	0.7
185.00868	2.5
198.99911	0.6
225.11247	1.7
241.00180	8.5
256.99753	2.4
311.22253	2.0
397.95395	0.8
479.19501	92.7
480.19864	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.0
59.01249	4.9
61.98706	1.1
69.03323	4.5
71.01249	1.7
71.54140	1.0
78.95779	12.7
79.95608	1.4
83.04903	1.6
84.77402	0.6
85.02808	0.9
96.95891	17.1
97.02839	1.3
98.97335	1.0
99.08047	2.0
110.98408	7.8
111.08053	0.9
113.09610	3.8
125.09666	1.0
129.09135	4.5
139.11220	1.2
151.11159	1.3
152.98384	0.9
152.99503	3.5
153.12848	0.7
163.11157	0.7
165.12801	0.8
167.01115	4.2
169.12282	3.5
171.10239	2.6
181.12267	3.3
183.13852	1.7
185.00813	1.4
185.02127	7.2
185.11699	0.9
193.12259	1.4
197.11765	11.0
198.12189	1.0
199.13332	6.0
207.10040	0.8
211.11440	1.4
211.13344	14.1
212.13548	0.9
241.00241	2.2
255.02867	1.1
275.20096	1.8
293.10373	0.8
293.21283	14.3
311.22278	100.0
312.22614	11.6
399.10782	0.7
445.46106	0.8
479.19070	10.0
479.24228	25.4
480.25436	3.7
480.30368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90810	0.7
55.01754	1.1
57.03336	1.1
59.01246	3.8
61.98703	1.6
62.96289	0.7
68.17606	0.7
69.03319	5.8
69.23712	8.0
71.01264	1.9
73.02811	1.0
76.38251	0.8
78.95774	20.0
79.95610	3.5
80.96402	1.3
83.04909	1.3
83.07602	0.8
85.02799	1.2
89.70387	0.7
95.95074	0.9
96.95885	58.6
97.02833	2.1
99.08034	2.5
110.98415	11.5
113.09614	3.5
125.09595	1.1
129.09091	4.3
136.99959	0.9
139.11224	2.1
141.01801	1.4
141.09079	0.8
146.54498	0.7
152.99481	5.9
163.07628	0.8
167.01031	5.4
169.12273	2.4
171.10168	6.3
180.97990	1.3
181.12239	3.5
183.13786	2.0
185.00792	1.3
185.02142	9.2
193.12270	1.9
197.11723	8.1
198.12093	0.9
199.13310	5.0
200.13622	0.8
211.13329	13.6
212.13757	1.0
227.12653	0.8
241.00157	5.4
247.31676	0.8
256.99734	1.8
265.21771	1.4
266.02011	0.8
275.20059	1.3
293.21207	13.5
294.21536	1.1
311.22256	100.0
312.22595	11.5
332.16360	0.9
479.19360	38.0
479.24408	27.1
480.18649	7.6
480.24686	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03664	0.9
56.79343	0.9
57.92662	0.9
59.01253	6.2
61.98682	1.0
62.89124	1.0
67.02236	0.9
71.53360	1.3
71.54131	1.2
78.95775	11.9
81.32823	1.1
87.53983	1.0
109.97666	1.1
125.64204	1.0
131.60660	1.1
144.18208	1.0
145.61951	1.0
151.00224	1.5
151.11176	1.5
152.99501	15.4
165.12729	1.7
171.00502	1.7
171.10109	1.4
181.12277	2.2
191.10800	1.3
205.19548	1.5
209.11803	7.0
210.12357	1.2
227.03198	1.6
245.04179	1.4
249.18558	100.0
250.18883	9.0
291.19482	1.1
309.20737	1.7
477.15814	2.3
477.22531	26.9
477.29218	2.1
478.22910	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37123	0.8
59.01248	1.1
69.12545	0.7
71.53689	1.0
78.95774	26.8
84.47572	1.0
128.06583	0.9
140.01089	4.9
152.99480	3.0
168.92896	0.8
171.00557	2.2
196.03717	10.9
214.04791	2.5
281.24850	100.0
282.25220	11.0
290.44202	0.9
478.29358	28.2
478.36142	1.5
479.29700	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.7
63.19220	0.3
69.25612	2.7
69.26022	0.9
71.01253	0.9
76.36066	0.3
79.95601	3.6
80.96371	1.5
85.02821	0.5
94.98022	0.4
95.95138	0.8
96.95888	100.0
97.95809	0.3
101.02332	1.1
103.00256	4.2
122.97535	0.5
134.97458	1.1
138.96959	1.1
143.03372	0.4
149.09625	11.4
150.09955	0.9
150.96968	0.6
152.98521	3.5
164.98541	0.8
166.96355	0.5
180.98026	1.8
194.99602	0.4
222.99078	1.0
225.00671	0.4
234.29723	0.3
241.00208	25.9
242.00475	0.8
271.02539	0.4
283.01282	3.3
299.01877	0.6
373.09506	0.8
391.10669	42.2
392.11014	5.0
397.09314	1.2
433.11725	29.4
434.11981	3.7
459.09845	1.5
462.56458	0.3
477.10724	20.7
478.11032	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.4
63.38510	0.3
63.89200	0.3
67.80747	0.3
69.25665	3.7
69.26003	0.6
71.01255	0.5
79.95602	4.5
80.96397	1.8
84.87709	0.4
87.00761	0.3
95.95112	0.4
96.95887	100.0
97.95827	0.4
98.19828	0.7
101.02309	1.0
103.00242	4.5
107.65118	0.4
113.02349	0.4
116.22398	0.3
122.97480	0.5
134.97472	1.4
138.96947	1.1
149.09624	12.5
149.10834	0.6
150.96930	0.4
152.98553	3.7
164.98561	0.7
180.98016	1.6
209.25529	0.4
222.99239	0.6
241.00203	21.8
242.00627	0.7
255.58922	0.4
283.01285	2.7
312.60773	0.4
373.09592	0.6
391.10678	42.8
392.10852	4.7
433.11703	29.6
433.18008	0.7
434.12057	3.7
459.09668	1.5
477.10703	18.7
478.11032	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20510	0.7
63.19205	0.6
69.26119	1.1
69.26524	5.1
77.30991	0.5
82.75418	0.7
96.95856	0.8
98.19695	0.8
103.43073	0.6
107.01279	1.0
112.22742	0.6
125.02325	0.7
151.00247	4.6
153.01846	0.7
171.04373	1.1
178.99806	1.0
182.19409	0.6
199.03893	6.1
201.01848	1.7
203.03348	0.9
204.04080	0.9
215.03448	5.6
225.01842	0.7
226.02602	1.5
227.03419	5.8
228.03885	0.8
229.01334	1.1
242.02171	13.4
243.02945	64.6
244.03331	4.9
255.02979	1.5
257.04532	18.1
258.04819	2.3
268.05548	0.7
270.01678	17.8
271.02463	62.4
272.02759	4.5
285.04031	36.4
286.04718	12.8
287.05542	0.9
299.01971	13.8
300.02658	9.7
301.03214	1.0
314.04309	73.3
315.04938	18.3
316.05466	0.8
357.06207	1.2
477.10352	100.0
478.10754	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55415	0.4
53.06888	0.4
54.85807	0.4
55.33937	0.4
57.24158	0.4
67.87997	0.4
69.47256	2.6
74.49905	0.3
83.01247	0.5
86.14270	0.3
96.95906	0.8
100.52727	0.5
107.01289	0.8
151.00285	3.8
153.01840	0.4
171.04396	1.0
175.03964	0.4
178.99750	0.7
183.14162	0.4
185.00786	0.5
199.03937	4.2
200.91354	0.4
201.01910	1.7
203.03432	0.9
204.04021	0.5
215.03433	4.3
216.04153	0.6
226.02745	0.8
227.03503	4.6
229.01376	0.6
242.02150	10.2
243.02953	41.5
244.03300	3.4
255.02979	0.7
257.04520	10.2
258.04904	1.5
258.94113	0.4
270.01688	11.8
270.04678	0.7
271.02463	36.3
272.02841	3.6
285.04037	20.0
286.04752	6.6
299.01968	7.7
299.05319	0.6
300.02637	3.7
314.04312	36.5
315.04944	9.4
316.05585	0.9
357.05984	0.9
477.10364	100.0
478.10699	15.1
478.16165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.6
66.07397	0.1
69.60862	0.1
71.01273	0.1
71.52724	0.2
78.95775	10.4
81.31248	0.1
96.96826	0.5
122.00006	0.1
140.01082	2.4
152.99503	1.4
155.21814	0.1
171.00546	0.8
196.03743	1.2
214.04808	3.0
215.05034	0.1
261.22189	0.4
273.25797	0.1
279.23279	100.0
280.23627	9.9
476.27811	10.3
477.28171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02671	0.9
75.27110	0.3
78.95776	30.8
80.46246	0.3
96.96841	1.1
118.87782	0.4
122.00008	1.1
132.65659	0.4
140.01085	6.4
152.99486	3.5
171.00578	1.7
178.29613	0.4
193.73418	0.3
196.03734	11.8
214.04807	2.4
246.67691	0.4
261.22256	0.4
278.88971	0.4
279.23282	100.0
280.23602	12.8
310.68341	0.4
388.56421	0.4
476.27826	29.8
477.28134	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49765	6.0
59.01256	9.9
69.03348	10.4
71.01234	7.9
71.53617	6.7
78.01602	5.6
79.95615	60.9
83.01283	6.1
95.01276	12.0
95.95121	10.7
96.95884	100.0
97.02862	8.1
99.00768	11.1
107.01281	11.4
111.00764	18.3
123.00766	12.9
123.04342	9.0
127.00302	9.8
139.00301	13.1
141.01923	6.6
145.02853	6.5
151.00307	16.6
161.02316	7.1
163.63599	6.7
166.99701	11.1
169.01341	9.3
175.03880	7.7
178.99748	20.1
185.00763	6.8
189.01715	7.3
193.01389	10.4
197.36501	5.9
205.01364	11.0
209.00899	7.0
231.02734	7.1
233.01021	5.8
245.00955	7.2
249.04102	6.4
250.42593	6.9
289.03534	12.7
291.04916	6.1
299.01971	9.1
301.03510	8.2
305.03201	6.6
306.03729	12.1
319.04727	7.4
335.04193	8.9
464.26660	6.5
477.17435	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	4.0
59.01255	6.3
62.86351	1.2
69.03320	1.4
70.32396	1.1
70.69046	3.8
71.01247	10.4
72.99167	4.7
81.92014	1.2
85.02827	1.5
87.00723	2.0
87.04379	13.2
89.02325	6.5
92.95876	2.1
94.16624	1.1
94.95547	1.5
96.95910	1.8
101.02338	2.4
110.23286	1.1
110.78677	1.1
111.00768	2.4
113.02325	2.6
115.00256	22.2
119.03393	1.9
132.02876	1.2
132.94547	17.0
133.01326	54.1
133.04959	100.0
134.05359	2.5
179.05554	2.0
188.71652	1.4
252.99736	1.6
334.96683	1.3
341.10831	19.1
342.11240	1.7
377.08539	13.6
415.03964	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00953	5.1
59.01251	100.0
61.98687	4.2
63.79113	3.0
69.03339	6.2
69.36753	11.2
69.37177	16.7
71.01254	74.6
72.01590	2.9
72.99181	5.7
73.02811	15.0
80.75916	3.1
83.01259	5.4
85.02824	28.2
86.08287	3.1
87.00745	10.7
89.02317	42.0
89.43138	3.1
95.01218	5.3
96.95866	12.0
97.02797	5.3
99.00758	7.0
101.01724	3.2
101.02328	39.9
111.63445	3.1
113.02341	23.0
115.51086	2.9
119.03383	4.4
126.83026	2.9
131.03349	10.0
134.05971	11.2
143.03410	4.2
148.03905	14.9
149.04488	20.3
152.67816	3.0
159.02927	3.6
160.03908	4.4
161.04460	25.9
167.84441	3.9
174.05612	5.3
179.05437	4.7
191.05519	11.9
261.83658	3.8
265.90408	3.2
283.11868	75.3
284.12259	6.8
295.10834	14.6
319.03656	3.1
356.79318	4.3
415.15964	47.2
416.16635	4.0
475.17062	40.9
475.22137	4.0
476.17242	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07346	0.4
59.01250	100.0
60.01587	1.2
63.32212	0.4
69.03329	1.6
69.27422	3.9
71.01254	2.2
72.99200	0.6
73.02824	0.7
79.95614	1.7
80.96379	0.5
83.01245	0.6
85.02821	1.2
87.00718	0.6
89.02326	1.3
89.72263	0.4
95.95139	0.6
96.95889	16.3
96.96513	0.9
97.02860	1.0
98.95476	0.5
99.00770	0.5
101.02328	1.5
103.00256	1.1
103.87495	0.4
113.02357	0.8
118.97984	3.3
119.03437	0.6
161.04410	0.5
184.87999	0.5
191.05614	1.9
195.13913	1.7
199.09821	0.5
211.91740	0.6
241.00217	0.5
306.55920	0.5
346.95313	0.4
388.61621	1.4
389.08875	6.7
390.09503	0.9
409.61676	0.8
410.11838	1.2
431.10220	2.9
432.11609	0.5
475.09192	1.2
475.16504	1.3
475.22461	1.2
476.16602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51230	5.3
56.28868	5.2
59.01241	20.7
69.59042	5.6
70.43600	5.8
71.53995	7.3
78.95771	14.5
130.56097	5.8
152.99506	9.3
279.23282	100.0
280.23602	11.9
475.24835	13.3
476.28110	7.8
498.90604	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20388	0.4
52.65417	0.3
55.01754	1.0
55.50200	0.3
57.03316	1.8
58.00469	2.0
59.01251	100.0
60.01591	1.6
67.56721	0.4
69.03335	1.5
70.92667	0.9
71.01254	27.7
71.04908	1.5
72.01599	0.5
72.99187	1.4
73.02821	7.5
81.03349	1.7
83.01262	3.3
83.76704	0.4
85.02823	8.8
87.00756	4.0
87.04402	2.5
89.02316	16.6
95.01266	3.1
96.95915	1.7
97.02849	1.7
98.95423	0.5
99.00777	2.1
99.04404	2.3
101.02322	18.5
101.05956	3.7
102.02621	0.4
111.08103	0.4
113.02326	19.3
119.03392	8.0
125.02338	2.7
126.03700	0.4
131.03429	0.5
143.03410	4.5
146.86072	0.4
149.04453	1.0
153.12791	0.4
161.04465	7.2
167.68785	0.4
178.04692	0.4
179.05547	3.4
181.12195	0.4
185.00916	0.6
191.05583	0.7
213.14827	0.8
253.18068	0.6
271.19128	4.0
297.17114	0.5
315.18118	7.0
327.18378	0.9
343.17807	1.7
397.22546	0.6
415.23373	19.0
416.23621	2.4
433.24402	15.2
434.24976	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.2
57.03319	1.5
58.00463	1.3
59.01251	100.0
59.35594	0.4
60.01601	0.9
61.98711	0.7
63.08038	0.4
69.03320	2.1
69.38039	2.8
70.64442	0.4
71.01254	25.3
71.04895	0.6
72.01597	0.7
72.56424	0.4
72.99194	1.8
73.02819	5.9
75.00754	0.5
78.61533	0.4
79.95618	0.9
81.03352	1.6
83.01254	3.2
84.02067	0.7
85.02827	8.8
85.03293	0.7
87.00735	3.0
87.04411	1.6
89.02319	13.0
95.01278	2.6
96.95885	5.7
97.02874	1.4
98.20592	0.8
98.95505	0.9
99.00757	2.7
99.04374	2.0
101.02321	15.7
101.05985	1.8
111.00787	0.8
113.02331	16.0
114.02653	0.5
119.03391	5.5
122.51096	0.5
125.02387	1.8
126.92521	0.4
131.03426	1.0
141.01906	0.7
143.03395	2.9
152.01105	0.5
159.02956	0.9
161.04477	7.1
179.05528	2.9
191.05637	1.2
195.10323	0.9
195.13771	0.4
203.01906	2.6
213.14899	1.0
217.08812	0.5
218.60130	0.4
221.11931	0.7
232.10739	0.4
241.00339	1.6
251.41731	0.5
253.18150	0.6
271.19269	1.5
283.01450	1.2
289.07147	0.6
295.19476	0.4
315.18176	3.1
339.18240	0.5
379.21323	0.6
389.13434	1.2
397.22299	3.8
398.22974	0.6
415.23380	12.9
415.28607	0.8
416.23990	1.5
431.14999	0.8
433.24420	9.1
434.25186	1.4
475.05933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86591	0.3
52.91632	0.3
59.01250	100.0
59.38036	0.3
60.01586	1.1
61.98687	0.4
62.32339	0.3
63.18993	0.3
69.03342	0.4
69.28989	2.6
71.01241	0.7
71.10812	0.3
85.02823	0.5
89.02314	0.4
96.95914	2.2
101.02343	0.8
121.02901	0.5
161.04579	0.4
191.05634	1.0
233.97079	0.3
387.07535	0.8
473.08005	0.3
473.27469	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.6
61.98707	0.2
71.01234	0.2
71.09103	0.4
78.95778	9.6
83.04895	0.2
95.98212	0.1
96.96837	0.4
122.00031	0.3
127.07561	0.2
140.01077	3.0
152.99510	1.2
171.00569	0.6
173.74948	0.1
187.60312	0.1
196.03755	1.6
205.19391	0.2
214.04807	3.5
215.05273	0.2
219.13771	0.1
233.22798	0.2
259.20694	0.4
275.20163	0.4
277.21713	100.0
278.22058	11.2
280.17133	0.2
416.62335	0.2
454.54749	0.2
474.26239	8.6
475.26431	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.1
59.04732	0.2
61.98705	0.9
71.01241	0.8
71.08477	0.6
71.08818	0.3
78.95775	38.9
96.40166	0.2
96.96835	1.0
104.97394	0.3
120.44558	0.3
122.00005	1.0
140.01083	7.1
152.99496	4.2
171.00569	2.4
178.84120	0.3
196.03735	13.4
197.04082	0.4
202.86043	0.3
214.04793	3.0
233.22714	0.4
259.20712	0.6
277.21713	100.0
278.22064	12.0
474.26251	31.8
474.36142	0.4
475.26575	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	13.0
60.31431	1.1
68.62619	1.1
69.03318	1.4
70.51159	4.4
70.99464	3.4
71.01241	4.9
74.98977	1.9
77.50320	1.1
83.01237	1.4
85.02812	1.5
89.02305	1.7
90.16636	1.0
91.07399	1.1
91.08674	1.1
95.01260	1.4
96.95868	4.9
99.00733	1.4
101.02332	2.1
110.52287	1.1
113.02335	2.3
120.99534	18.6
123.00745	14.1
123.04411	1.2
123.18951	1.5
138.03120	57.9
139.03409	1.4
153.05475	100.0
154.05789	4.7
161.02287	6.8
161.04408	1.3
167.03419	1.3
175.07533	1.1
176.04712	14.2
177.05331	2.5
182.87679	1.1
191.05501	1.7
191.07056	16.4
192.99493	1.2
193.01198	1.3
194.00424	2.6
195.01112	3.1
208.01775	1.5
209.02695	5.0
209.04550	3.2
210.03465	5.8
223.04268	4.1
225.05856	71.4
226.06064	6.0
227.70264	1.1
312.43887	1.2
313.07510	10.9
387.11142	13.4
389.11484	1.5
475.12781	20.5
476.12802	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61957	0.7
59.01250	8.6
63.30258	0.7
69.03323	1.0
69.24059	1.6
69.24467	5.7
70.99477	1.5
71.01254	3.1
73.02804	1.2
74.98952	1.3
85.02805	1.1
95.01238	0.8
96.95892	2.3
99.00784	0.8
101.02335	2.1
113.02328	1.4
120.99539	20.8
123.00769	10.6
131.03325	0.8
138.03122	46.3
139.03465	1.5
151.61761	0.8
153.05478	100.0
154.05798	4.6
161.02345	4.3
161.04414	1.7
164.71698	0.9
175.03938	0.9
176.04738	4.8
177.05484	1.6
191.05489	1.5
191.07043	8.1
194.00375	1.0
195.01091	3.1
203.01979	1.0
204.60707	0.9
209.02725	3.8
209.04456	1.1
210.03499	5.4
223.04272	1.9
224.04836	1.0
225.05849	59.9
226.06174	5.4
313.07526	8.5
314.07870	1.0
359.54465	0.7
387.11200	11.0
388.11377	1.1
475.12790	19.4
476.13129	2.3
484.26941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24439	0.2
51.42650	0.3
53.78413	0.3
57.91372	0.3
59.01252	100.0
60.01588	1.1
61.67384	0.3
65.33053	0.3
66.01401	0.3
69.03332	0.6
69.71067	0.7
69.71480	1.2
71.01255	6.4
73.02819	10.4
83.01257	3.1
83.01653	0.3
85.02830	0.6
87.00771	0.8
87.20336	0.3
89.02316	1.4
93.03355	1.0
96.95895	1.9
101.02322	9.4
102.02652	0.3
113.02346	2.1
119.03418	0.9
131.03448	0.7
133.02829	0.4
134.03743	0.4
135.04399	2.1
141.26547	0.3
143.03413	1.0
149.04477	1.1
161.04488	1.9
173.04547	0.4
178.02693	0.4
179.03416	2.0
191.05571	1.4
200.00917	0.5
207.13773	1.7
207.45905	0.3
219.13876	0.7
221.06776	0.5
221.15462	0.6
221.91113	0.3
241.00182	0.4
249.15056	0.9
277.90741	0.3
335.02521	0.3
374.06119	3.8
375.06934	0.6
385.11871	0.4
471.12219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64234	0.2
59.01250	100.0
60.01575	1.4
69.33602	0.2
70.55870	0.8
71.01250	1.1
73.02470	0.3
73.02809	1.7
75.60042	0.2
83.01275	0.5
85.02824	0.3
89.02348	0.4
90.51888	0.2
96.95890	2.0
101.02321	1.9
113.02358	0.9
133.72939	0.2
161.04550	0.3
191.05499	0.3
241.00246	0.5
267.16696	0.2
283.01447	0.6
385.14215	0.5
386.50836	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13594	0.7
56.61083	0.7
59.01253	14.2
67.18736	0.9
69.13380	0.8
71.01262	2.4
71.19411	0.7
71.53629	0.9
73.02804	0.8
75.11834	0.7
79.95609	6.0
80.96389	2.9
85.02832	1.1
96.95890	91.1
101.02326	3.1
103.00246	10.6
113.02335	1.1
150.96939	1.0
152.98514	1.8
161.04495	1.0
164.98540	5.2
180.98058	2.3
200.60474	0.8
228.60237	0.9
237.55049	0.8
237.69075	0.9
241.00211	5.1
277.70169	0.7
324.66730	1.0
369.12280	2.1
387.13342	100.0
388.13651	10.8
419.28210	1.0
429.14392	54.6
430.14743	6.3
455.12030	1.0
473.13403	51.8
474.13678	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00953	0.8
59.01250	15.2
69.03313	1.0
71.01259	2.1
71.53545	0.8
71.95161	0.3
73.02824	1.0
77.23954	0.3
78.95775	0.4
79.95608	5.0
80.96392	2.6
83.01242	0.6
85.02814	1.8
87.00789	0.5
95.95129	0.8
96.95886	100.0
97.95832	0.5
98.95470	0.5
99.00759	0.6
101.02319	2.0
103.00246	9.2
113.02344	0.9
114.36311	0.3
119.49657	0.3
130.08659	0.3
135.04364	0.4
137.47206	0.4
140.40950	0.3
143.50772	0.3
150.96974	0.3
152.98540	1.0
161.02402	0.4
164.98534	2.9
180.98036	2.6
191.05548	1.4
209.11688	0.4
220.49496	0.3
227.13055	0.4
241.00227	3.6
369.12228	2.1
387.13300	93.1
388.13611	9.3
429.14343	37.1
430.14798	4.2
455.12006	0.9
455.17447	0.6
473.13315	27.6
474.13681	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95732	0.7
57.03337	0.7
59.01251	41.8
59.67408	0.6
61.98706	0.9
69.03307	1.2
71.01243	5.9
71.53656	1.0
73.02817	4.2
75.00788	0.8
79.95614	5.3
80.96393	3.3
83.01274	1.9
85.02821	3.7
87.00756	1.6
87.89246	0.6
89.02305	2.5
92.66607	0.6
93.03343	1.2
95.95108	1.5
96.95888	100.0
99.04388	0.7
101.02337	6.0
102.99610	0.9
103.00241	7.0
108.08083	0.6
113.02345	3.3
119.03345	0.7
119.04929	1.9
121.02830	0.8
130.39346	0.6
133.02853	0.9
135.04381	0.8
139.63647	0.6
150.97029	0.9
152.98521	2.0
161.02339	1.1
161.04462	1.8
163.03922	1.1
164.98509	4.6
165.01808	0.7
180.98041	2.0
191.05539	4.0
225.00723	0.9
241.00238	7.2
251.35678	0.6
270.87817	0.7
298.04858	4.6
311.05545	1.7
327.04974	1.8
369.12268	1.5
385.11911	1.2
387.13290	91.9
388.13666	9.6
429.14343	50.3
429.64499	1.0
430.14630	6.2
455.12057	1.8
473.13199	53.3
474.13657	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39954	1.0
59.01248	100.0
60.64971	1.0
71.53133	1.5
71.53536	1.3
78.95772	1.1
80.57165	1.0
98.10397	1.1
102.90829	1.0
105.56415	1.2
133.70174	1.0
183.42407	1.0
222.04800	1.1
246.21585	1.1
303.44864	1.1
369.23328	1.0
483.95767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01577	1.3
63.52662	0.3
64.45483	0.3
69.17993	1.8
69.18406	0.6
71.01259	1.5
73.02820	2.8
83.01266	1.1
85.02842	0.3
89.02325	0.6
96.95902	0.3
98.20506	0.5
101.02335	2.8
104.73434	0.2
113.02348	1.0
119.03393	0.3
131.03430	0.2
137.02399	0.3
143.03409	0.4
149.04463	0.5
152.04742	0.3
161.04494	1.0
187.98601	0.2
203.05743	0.3
205.75525	0.2
221.06715	0.3
222.54976	0.3
385.11942	0.3
457.31390	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76699	0.2
59.01252	100.0
60.01588	0.9
61.98704	1.0
65.18824	0.2
69.03325	0.5
70.87304	0.6
71.01254	3.2
72.99227	0.3
73.02827	3.2
78.95804	0.4
79.95605	1.1
80.96400	0.3
83.01260	1.3
85.02839	0.7
87.00745	0.6
89.02326	0.6
93.03362	0.7
94.03690	0.4
96.00826	0.2
96.95889	7.1
97.02878	0.4
99.00741	0.3
99.83624	0.2
101.02330	3.9
113.02332	1.3
116.92710	0.3
119.03431	0.6
127.41415	0.2
131.03433	0.6
133.02878	0.2
141.01848	0.2
143.03424	0.5
149.04466	0.4
152.84448	0.3
152.99580	0.3
153.01926	0.6
161.04503	0.7
164.98416	0.2
175.04982	0.3
179.03470	0.5
191.05559	1.8
194.05768	0.3
209.08255	0.5
211.13220	1.2
241.00307	0.6
253.05968	0.3
266.10519	0.5
267.10751	0.6
268.08249	0.5
299.00873	0.3
309.05719	0.2
374.06140	0.3
385.11694	2.7
386.12085	0.3
427.12958	1.1
428.14203	0.5
429.13583	0.4
433.13467	0.3
455.13205	0.6
455.63419	0.4
471.11835	0.5
471.19772	0.3
471.34479	0.3
472.19321	0.4
484.73376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01585	1.2
61.45073	0.3
66.50941	0.3
67.01773	0.3
69.03338	1.2
69.22967	0.9
69.23392	2.1
71.01251	1.8
73.02834	0.6
79.95629	1.1
85.02851	0.9
87.00755	0.7
89.02319	0.5
93.03362	1.0
95.66495	0.3
95.95122	0.7
96.95889	7.0
99.00764	0.5
101.02347	0.9
105.43848	0.3
109.02813	0.3
111.04424	0.5
113.02351	0.7
122.06046	0.3
133.02829	0.5
135.04407	0.5
138.97464	0.3
150.96945	0.3
152.27029	0.3
161.02397	0.3
161.04512	0.9
173.04530	0.4
178.02609	0.6
179.03468	0.4
179.10715	0.8
191.05557	1.7
193.05032	1.2
200.00967	0.4
208.07257	0.4
223.09680	1.8
241.00220	0.8
267.16003	3.7
280.36346	0.3
299.01135	0.5
324.02695	2.7
374.06009	1.8
385.11938	1.9
411.20468	0.4
427.13068	0.8
454.62381	0.4
455.12946	1.1
471.15710	0.6
492.15961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21311	0.2
59.01253	100.0
60.01591	0.8
69.03335	0.6
71.01257	5.1
71.01620	0.4
71.33841	0.4
73.02825	9.6
74.03183	0.2
78.26833	0.2
79.49607	0.2
79.95599	0.3
83.01261	3.2
85.02831	0.5
87.00764	0.4
89.02354	0.8
91.99640	0.2
93.03352	0.5
95.01278	0.3
96.95883	2.5
97.02845	0.4
101.02322	8.3
108.86700	0.2
113.02331	2.0
119.03412	0.7
122.29599	0.2
131.03450	0.7
133.02917	0.3
134.03654	0.3
135.04430	2.2
143.03448	0.7
149.04509	1.0
161.04454	2.0
165.12837	1.0
179.03406	2.2
191.05620	1.1
207.13860	2.3
219.13968	0.7
221.06706	0.7
221.15482	0.3
231.14059	0.5
249.15036	0.9
264.43372	0.2
318.21091	0.2
374.06372	0.8
385.11960	0.9
427.12909	0.4
491.74493	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1176
Annotation	circumbiphenyl
Peak:m/z	Relative Intensity
53.41191	0.5
59.01254	12.2
65.00191	0.6
71.01245	2.0
71.53274	0.9
73.02813	0.8
78.95774	0.8
79.95607	7.3
80.96379	2.7
83.01243	0.7
85.02829	1.8
87.00744	0.7
95.95129	1.3
96.00834	0.7
96.95886	100.0
100.49776	0.6
101.02297	2.0
103.00233	8.3
107.01244	1.0
108.02047	0.8
109.02838	19.5
112.58957	0.7
113.02339	0.9
122.97478	0.9
137.02350	0.9
139.00255	1.0
139.19810	0.6
141.01843	0.6
150.96950	1.6
151.00304	2.9
152.98471	0.9
153.01828	23.2
154.02197	0.8
164.98531	4.3
166.01372	0.8
166.99825	0.7
173.08092	1.1
178.99788	1.4
180.98050	3.1
186.10876	0.6
191.05493	0.7
210.00436	1.5
241.00180	5.8
257.10196	1.1
272.02933	0.8
300.02484	0.7
315.04987	0.7
329.06613	1.3
331.04523	4.2
360.03485	0.9
367.10654	1.3
373.07553	0.7
374.04962	1.0
385.11728	93.3
386.12164	8.8
392.06296	1.2
427.12762	47.0
428.12936	4.5
453.10651	2.1
471.11719	37.1
472.12064	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1175
Annotation	circumbiphenyl
Peak:m/z	Relative Intensity
59.01252	6.8
62.67628	0.3
68.33578	0.4
71.01255	0.8
73.02828	1.1
79.95587	2.7
80.96407	1.0
85.02817	0.6
96.95886	100.0
98.20570	0.9
101.02342	0.9
103.00257	3.7
122.97444	0.5
134.97469	1.6
138.96928	1.0
143.10664	4.0
150.97008	0.5
151.95206	0.4
152.98553	5.0
153.52475	0.4
180.98041	0.7
194.84648	0.4
194.99635	1.0
222.99155	0.8
241.00206	48.4
242.00522	2.0
283.01291	19.9
284.01517	1.0
327.00241	4.7
328.39932	0.4
374.06256	1.3
385.11725	21.8
386.12064	1.5
427.06903	0.9
427.12762	19.3
428.12964	2.3
453.10721	1.0
471.11731	21.1
472.11868	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	11.5
61.98673	0.6
69.03316	0.8
70.96598	0.3
71.01249	1.9
71.06266	0.3
71.08981	0.4
71.09328	0.4
72.99204	0.3
73.02818	0.8
76.73408	0.3
78.95820	0.3
79.95597	3.0
80.96378	1.8
83.01250	0.6
85.02812	1.2
86.45964	0.3
87.00755	1.0
93.03352	0.7
96.95888	100.0
97.02798	0.4
97.95815	0.5
98.95490	0.4
99.00741	0.5
99.29360	0.3
99.65796	0.3
101.02319	1.3
103.00259	2.8
113.02296	0.7
122.97449	0.9
133.02969	0.3
134.97495	2.3
135.04393	0.8
137.02379	0.3
138.96985	0.9
143.10683	3.9
150.96988	0.4
152.98534	5.6
154.95255	0.3
161.02290	0.4
179.03461	0.7
180.98018	0.8
181.78200	0.3
187.89061	0.3
191.05542	1.9
194.99615	0.9
205.26387	0.3
208.82385	0.3
222.99149	0.8
241.00209	53.6
242.00484	1.7
246.82324	0.3
283.01303	18.7
284.01636	1.2
308.99326	0.5
313.65503	0.3
316.05423	0.3
327.00220	4.4
328.00601	0.4
374.06027	0.5
385.11719	21.2
386.12103	2.0
427.12784	16.8
428.13156	1.7
453.10773	1.1
471.11783	21.2
471.34985	0.4
472.11966	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00955	0.7
59.01252	13.8
69.23492	2.9
69.23916	1.1
71.01241	1.3
71.04235	0.3
73.02806	0.7
73.45902	0.4
79.95605	5.0
80.96394	2.9
83.01247	0.5
85.02834	1.5
96.95886	100.0
97.95845	0.5
100.83904	0.3
101.02322	1.9
101.21507	0.4
103.00248	8.0
105.38106	0.4
122.97464	0.4
138.96947	0.4
150.96957	0.6
152.98523	0.6
164.98567	2.8
180.98012	1.8
241.00195	3.2
367.14340	1.8
385.15353	97.8
386.15659	10.0
389.50922	0.4
427.16385	35.8
428.16818	3.6
453.14423	1.4
471.15414	25.8
471.22607	0.9
471.34573	1.0
472.15906	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30589	4.4
59.01250	83.2
71.01247	46.3
71.53201	6.0
71.70160	4.8
72.99168	5.8
73.02818	14.9
78.95782	13.5
79.95609	7.0
80.96380	8.3
83.01260	7.9
85.02824	19.7
89.02328	31.6
95.01255	7.8
96.95889	67.0
97.04153	4.5
97.09049	4.8
98.95481	5.0
99.00765	9.5
101.02327	37.5
103.00240	5.0
111.00742	6.8
113.02327	17.7
119.84637	4.4
131.03410	16.1
137.02414	7.5
149.04407	9.7
152.99487	9.4
155.37881	4.7
161.04460	11.3
174.47536	5.6
191.05515	8.9
225.11279	9.5
229.86517	5.5
241.00215	10.6
247.27937	4.7
279.14487	30.7
385.07867	12.5
385.12302	6.3
396.26434	5.0
411.18677	100.0
412.19043	7.2
424.05441	4.5
471.08884	5.6
471.15732	19.0
471.34622	5.3
476.70935	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77757	0.3
58.03775	0.4
59.01252	13.6
63.29385	0.3
65.42039	0.3
69.89211	0.6
69.89618	0.9
71.01251	2.1
71.25810	0.3
72.99182	0.4
73.02824	1.6
74.54810	0.3
79.95612	5.7
80.96397	2.5
83.01277	0.4
85.02828	1.1
86.92118	0.3
89.02309	1.2
91.17657	0.3
95.95139	0.8
96.95888	100.0
98.20444	0.4
101.02307	1.7
103.00255	7.8
113.02325	0.8
117.10450	0.3
138.96950	0.8
150.97021	0.8
151.46902	0.3
152.98521	1.4
164.98540	2.8
172.75255	0.3
180.98047	2.1
181.75238	0.3
186.53087	0.3
213.81590	0.3
241.00177	3.2
297.00687	0.3
321.30920	0.3
365.12604	1.6
370.56223	0.3
383.13800	92.6
384.14154	8.0
425.14865	36.1
426.15268	3.8
451.12842	1.6
469.13824	21.8
470.13901	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00586	0.4
59.01250	15.4
60.01603	0.4
61.98693	0.4
68.41567	0.3
69.90356	2.0
71.01259	2.4
73.02830	2.0
75.00728	0.3
79.61221	0.3
79.95613	6.0
80.96391	2.9
83.01267	0.5
85.02819	1.0
87.00764	0.4
89.02300	1.1
93.03324	0.5
95.95086	0.9
96.95889	100.0
97.95834	0.6
101.02348	2.7
103.00250	7.7
113.02335	1.1
120.95894	0.4
122.97517	0.5
138.96974	0.5
150.96965	0.7
152.98529	1.0
164.98549	3.0
180.98029	2.4
191.05589	0.7
241.00212	3.6
247.16966	0.8
248.23038	0.4
279.66632	0.4
329.99722	0.4
365.12708	1.4
383.13815	97.1
384.14169	7.9
425.14890	37.0
426.15045	4.3
451.12766	1.3
469.13846	21.5
470.14151	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06973	0.7
59.01250	6.9
62.01909	0.8
69.12154	0.6
71.01258	11.1
71.52538	0.5
71.52977	1.1
73.02814	0.9
85.02860	0.6
87.00748	17.4
87.91634	0.6
100.04105	0.6
101.95918	0.6
115.00256	36.7
116.00580	1.3
127.00249	1.1
127.55757	0.6
169.12251	0.7
175.02400	100.0
176.02777	3.9
229.14285	0.7
230.14650	0.7
269.07214	1.2
309.10168	2.8
353.11356	0.6
378.69934	0.8
445.62808	0.7
469.33353	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15142	1.3
55.01748	1.8
57.03309	3.0
59.01255	35.2
60.99178	6.5
61.98690	2.0
67.01765	14.5
68.02084	2.7
69.03321	6.9
69.15193	1.0
71.01254	25.6
71.53085	1.2
72.01573	1.8
72.99165	1.8
73.02819	5.5
75.00758	1.2
78.95756	1.7
79.95609	2.2
81.03311	3.8
81.13732	1.1
82.74490	1.2
83.01266	6.2
83.04895	3.6
85.02349	1.3
85.02830	12.4
86.03112	1.1
87.00233	1.4
87.00761	24.9
88.01078	3.9
89.01180	3.0
89.02317	8.0
93.03337	100.0
94.03678	33.2
95.01224	1.1
95.03912	5.2
96.95893	22.3
97.02853	2.0
99.00765	5.8
99.04402	2.6
100.01133	1.2
101.02328	21.6
109.02834	2.2
111.00761	1.8
111.04409	14.5
112.04750	3.5
113.02348	7.7
113.04897	2.1
125.02277	1.8
127.03916	1.3
129.01804	3.1
131.03430	6.9
133.02820	3.1
134.03650	12.0
135.04370	6.7
136.04068	1.4
136.04779	1.5
137.02315	4.6
138.02670	1.7
139.02861	1.3
149.04410	2.0
155.03380	2.6
159.02843	1.7
161.04440	4.1
168.27217	1.1
173.04488	38.7
174.04820	21.0
175.04982	20.7
178.02548	4.5
179.03302	2.7
180.03027	3.1
191.03954	2.0
191.05557	24.9
192.05887	9.5
193.06017	12.3
203.01970	1.4
233.06512	1.8
275.09265	1.2
277.16531	20.2
278.16907	1.3
295.11035	1.7
298.31439	1.3
329.12027	1.1
353.08069	1.4
375.02734	1.2
409.20795	55.3
410.21182	5.8
449.14420	2.3
451.15121	49.3
452.15167	3.9
469.16422	60.2
470.16800	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.6
57.03333	1.5
59.01252	30.0
60.99179	8.1
61.98696	2.2
67.01761	17.3
68.02087	4.9
69.03331	10.6
70.03649	2.1
71.01256	21.3
72.01575	1.5
72.99168	2.3
73.02816	6.1
76.91250	1.3
79.95602	1.9
81.03322	3.1
83.01249	4.7
83.04907	2.4
85.02832	9.9
87.00750	24.4
88.01095	3.9
89.02319	7.5
93.03337	100.0
94.03677	35.8
95.03738	6.4
96.95882	15.3
97.02811	1.7
98.19691	1.7
99.00745	5.1
101.02321	17.4
109.02852	1.6
111.00753	2.8
111.04414	13.0
112.04726	4.8
113.02306	5.6
114.02689	1.3
124.20260	1.2
129.01805	2.1
131.03377	3.9
133.02823	2.4
134.03688	10.9
134.24280	1.3
135.04497	6.3
136.04713	2.4
137.02313	3.9
138.02689	1.8
139.03903	1.3
144.37291	1.3
149.04507	1.4
150.96974	1.2
155.03371	3.6
160.01605	2.0
161.04411	3.5
173.04465	44.3
174.04822	25.3
175.04933	18.4
178.02576	5.3
179.03252	4.0
181.97957	1.5
191.05548	18.5
192.05849	9.7
193.06020	10.3
215.97957	1.4
228.90660	1.3
233.06416	1.4
241.00069	1.7
265.47391	1.4
275.09106	1.7
277.16528	15.0
295.10889	1.7
353.07520	1.7
354.08597	1.4
409.20764	39.7
410.21075	5.5
449.14163	2.4
451.15109	52.9
452.15155	5.5
469.16373	61.2
470.16586	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.6
61.98711	0.4
69.64513	1.5
77.43697	0.2
79.95597	2.5
85.02811	0.5
96.95885	100.0
97.95796	0.3
98.95428	0.3
109.24376	0.3
113.02261	0.3
152.31075	0.3
191.05524	4.1
235.74342	0.3
241.00397	0.4
248.49242	0.3
281.22095	0.3
360.27917	0.3
467.15887	35.8
467.76416	0.3
468.09393	0.5
468.16095	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.5
57.55975	0.8
59.01250	100.0
60.01607	1.2
60.99178	6.7
64.10226	0.8
67.01765	13.6
69.03339	4.3
69.40855	5.4
69.41271	2.6
71.01252	19.7
73.02826	4.9
81.03325	2.2
83.01260	0.9
83.04914	1.5
85.02817	8.8
87.00751	17.6
93.03333	81.4
94.03671	3.2
95.01257	1.5
96.95920	0.9
97.02828	1.0
98.19791	1.0
99.00777	2.9
99.04385	1.1
101.02316	7.8
105.41258	0.9
109.02852	1.1
111.04400	11.1
112.04726	0.9
113.02337	7.2
115.03896	0.9
129.01822	1.8
132.02122	1.0
133.02843	2.6
134.03635	10.5
135.04424	8.7
137.02344	1.8
145.10132	1.3
147.02913	0.9
155.03406	2.4
159.02896	2.2
159.18687	0.8
160.01585	2.9
161.04457	12.0
173.04466	43.6
174.04817	1.4
177.01859	1.4
178.02620	6.1
179.03409	3.0
183.11700	1.0
189.08978	1.1
191.05528	17.9
201.12764	1.9
245.11739	3.0
257.08301	1.5
275.09305	1.6
293.10406	1.0
308.09308	1.0
325.62848	0.9
351.07080	1.3
352.07727	1.2
449.14499	33.7
450.14932	6.0
467.15533	23.9
468.15894	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.0242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62856	1.3
57.03315	1.9
59.01236	3.0
60.89321	1.2
60.99179	6.0
61.31956	1.2
65.00181	2.2
65.99703	1.4
67.01759	14.0
69.03317	3.4
71.01244	4.9
71.02723	3.1
79.95597	4.0
81.03336	4.2
83.04876	2.1
85.02818	2.4
85.76680	1.7
87.00758	23.1
91.01762	1.8
93.03333	100.0
94.03668	14.5
95.01206	1.9
96.95282	2.2
96.95886	35.3
97.06464	1.5
99.00744	4.0
99.04334	1.8
107.01308	2.0
109.02832	3.0
110.66648	1.2
111.00749	4.4
111.04398	13.6
112.04687	2.3
113.02300	3.0
121.02801	1.3
123.00761	3.0
125.02310	2.8
129.01839	4.7
133.02792	1.4
133.30075	1.3
134.03629	14.6
135.04419	1.8
137.02336	4.3
139.00249	8.3
141.01837	1.8
143.99525	1.2
146.97235	1.3
149.02339	1.6
151.00264	11.9
152.01042	2.9
153.01842	9.4
155.03380	4.3
161.02295	2.7
162.01848	2.8
163.00246	2.5
165.98959	2.4
166.99692	4.2
168.00558	1.8
169.01385	2.2
173.04475	70.5
174.04825	11.2
177.01854	3.0
178.02579	3.0
178.99777	6.0
179.03276	1.3
180.02930	7.6
189.02000	1.4
191.05534	20.7
192.05838	4.0
193.01294	4.8
194.99239	2.1
203.10681	1.4
208.02527	1.4
209.00735	1.5
209.83974	1.4
220.02354	1.6
227.03320	1.4
231.10136	1.5
236.01819	1.5
242.02058	1.8
243.02895	2.1
255.02980	2.5
257.04388	1.5
271.02390	3.3
275.09412	2.0
285.03946	1.6
287.02051	3.1
293.10272	3.0
299.01837	1.8
300.02756	3.7
301.03522	4.0
311.01974	2.4
313.03476	1.8
315.01373	3.7
315.05038	8.3
316.02133	5.4
329.02844	5.3
330.03717	9.8
331.04291	4.2
338.03073	2.2
343.04480	4.4
356.04129	19.4
357.04443	3.0
361.05579	2.7
370.05505	14.2
371.05997	2.8
388.06754	34.6
389.06940	4.2
449.14542	12.5
450.14801	10.1
467.15668	34.4
468.02527	5.9
468.15936	33.3
469.15866	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60643	0.3
58.37289	0.3
59.01253	13.5
61.98700	0.5
66.90896	0.3
67.01770	0.4
69.03326	0.4
70.45316	1.3
71.01244	2.3
72.99168	0.4
73.02802	1.0
78.95763	0.7
79.95604	6.6
79.96033	0.5
80.96391	2.7
82.49130	0.3
85.02837	1.3
87.00750	1.2
89.02298	0.5
93.03333	3.0
95.95118	0.9
96.95888	100.0
97.06476	0.4
98.95515	0.4
101.02308	2.3
103.00257	7.3
113.02328	0.6
122.97475	0.4
129.12448	0.4
135.04358	0.4
138.96985	0.8
150.96982	0.7
152.98589	0.9
164.98535	2.1
173.04497	1.6
179.03383	0.4
180.29730	0.3
180.98051	1.9
191.05544	1.3
218.66779	0.3
241.00224	3.6
247.60474	0.3
256.99731	0.9
363.11185	1.4
381.12216	86.9
382.12524	7.5
423.13278	34.2
424.13559	3.6
449.10767	1.1
467.12103	15.6
468.12616	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1556
Annotation	6-O-(4-Hydroxybenzoyl)-ajugol
Peak:m/z	Relative Intensity
50.32797	0.6
57.03321	1.8
59.01238	2.6
60.99173	6.5
67.01761	15.0
69.03328	5.5
71.01250	4.4
71.33558	1.1
73.02792	1.0
77.30785	0.5
79.08160	0.6
79.95617	1.1
80.96391	0.8
81.03337	3.2
83.04899	1.7
85.02810	3.2
87.00226	1.3
87.00751	20.5
93.03335	100.0
94.03667	3.0
96.95891	17.8
97.06468	1.1
98.95467	7.9
98.96331	1.0
99.00767	2.0
99.04408	1.8
101.02317	1.1
109.02847	1.2
111.04402	14.0
113.02298	1.5
115.03922	0.6
129.01836	2.7
133.02914	0.7
134.03636	17.5
135.04446	4.7
137.02354	2.3
143.03426	1.1
151.03876	0.7
152.98586	0.8
155.03391	2.7
173.04474	66.2
174.04785	3.0
174.90442	0.6
177.01845	0.7
178.02652	3.2
179.03500	0.9
187.07750	0.7
191.05534	24.0
192.05811	1.1
231.10197	0.8
241.00230	1.1
256.99918	0.6
257.08206	1.8
275.09308	1.9
293.10379	3.7
388.06445	0.8
449.14471	18.4
450.14978	2.3
467.15527	66.6
468.16071	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1558
Annotation	6-O-(4-Hydroxybenzoyl)-ajugol
Peak:m/z	Relative Intensity
57.03316	1.5
57.26892	0.5
59.01247	6.8
60.99178	5.9
66.89129	0.6
67.01765	15.6
69.03316	3.5
71.01258	5.7
71.02001	1.3
78.22555	0.6
81.03351	3.0
83.04897	2.2
85.02838	2.0
87.00752	21.3
93.03336	100.0
94.03688	2.3
96.95905	0.8
99.00756	2.5
99.04391	2.0
101.02329	1.0
101.25903	0.7
109.02808	1.1
111.04407	16.4
113.02353	2.0
125.02450	0.6
127.03860	0.7
129.01825	2.8
133.02855	2.6
134.03625	11.7
135.04437	8.5
137.02350	2.2
143.03395	0.8
155.03441	3.3
160.01569	3.0
173.04471	57.0
174.04842	2.1
177.01868	1.8
178.02640	6.0
179.03423	3.8
179.39168	0.6
191.05536	23.7
192.05875	1.2
257.08099	1.8
275.09344	1.3
284.44003	0.6
293.10175	1.3
308.08932	1.0
351.07388	1.9
352.07886	1.9
449.14502	40.1
450.14792	5.4
467.15570	32.8
468.15698	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55568	1.1
59.01252	17.4
59.73329	1.3
61.98703	100.0
69.03324	13.6
70.03670	2.6
70.30700	1.1
71.01265	3.6
71.54069	1.6
72.99184	1.8
73.02812	2.5
78.95779	19.6
79.95627	1.8
82.61993	1.4
83.01299	1.3
85.02830	2.1
87.00777	1.2
93.03357	5.7
95.01286	1.5
96.95885	26.4
97.02831	2.4
98.95444	2.0
99.00774	1.6
101.02329	4.5
113.02246	1.4
121.02892	1.5
135.04417	2.2
154.88068	1.1
173.04507	4.3
179.03447	1.3
185.00832	4.2
186.01302	1.3
191.05566	18.8
209.11821	1.9
229.40309	1.3
241.00230	11.6
242.00523	5.3
242.99835	2.8
465.14331	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.2
69.07948	0.2
71.01246	0.9
71.33385	0.4
72.99162	0.3
73.02843	0.2
79.95612	2.8
80.96394	1.0
83.01259	0.3
85.02850	0.5
87.00762	0.3
89.02295	0.5
95.95102	0.8
96.95890	75.0
101.02331	1.5
113.02308	0.2
122.97457	0.6
138.96991	0.8
142.09370	0.2
150.96976	0.8
152.98552	1.1
180.98076	2.5
185.11781	0.4
191.05502	0.7
198.99007	0.3
238.23993	0.2
241.00195	5.8
256.99649	0.3
259.01270	0.3
261.06351	0.2
273.03000	0.2
300.02682	0.2
301.03296	0.3
302.03299	0.4
303.04062	0.3
379.07086	0.6
398.52197	0.2
407.10208	0.4
421.08246	0.3
448.85583	0.2
465.14328	100.0
466.14648	13.4
466.21265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.8
57.03320	1.0
59.01246	4.6
60.76920	0.5
61.98693	1.3
68.70319	0.5
69.03321	1.0
71.01249	3.7
71.52928	0.7
72.99166	1.0
75.00745	1.3
79.95602	6.1
80.96391	2.0
83.01241	0.5
84.46402	0.5
84.92511	0.5
85.02827	4.3
87.00760	0.7
89.02319	1.8
93.03349	0.7
93.88849	0.5
95.95104	0.9
96.95887	100.0
97.02831	0.7
99.00766	1.1
101.02320	1.6
103.00218	0.7
103.95448	0.5
113.02335	1.1
115.03870	0.9
122.97382	0.5
129.01852	2.9
129.85094	0.5
137.02313	0.5
138.97002	1.3
150.97021	0.9
152.98523	1.2
154.47031	0.5
164.98511	0.9
168.98033	0.7
177.03961	7.4
180.98102	1.4
185.11655	0.5
191.05551	4.0
194.99591	1.7
198.99179	0.6
229.33659	0.5
239.31165	0.6
241.00177	4.0
256.99698	55.2
257.99985	1.9
293.12540	0.8
379.07025	9.5
421.08084	6.6
422.08212	0.7
465.14301	76.6
466.08270	0.8
466.14557	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96670	0.3
57.88291	0.2
59.01246	1.5
61.98697	0.4
69.03349	0.4
70.09125	1.0
70.61839	0.3
71.01258	0.7
78.95776	59.6
85.02830	0.4
86.20289	0.3
89.02315	0.3
96.95884	1.1
96.96844	6.5
135.04445	0.2
150.97900	1.8
152.99489	100.0
153.99832	1.7
171.00568	4.5
178.18030	0.2
189.12584	0.2
191.05525	1.0
311.22229	0.5
392.56003	0.3
465.22598	18.7
466.22659	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60643	0.3
58.37289	0.3
59.01253	13.5
61.98700	0.5
66.90896	0.3
67.01770	0.4
69.03326	0.4
70.45316	1.3
71.01244	2.3
72.99168	0.4
73.02802	1.0
78.95763	0.7
79.95604	6.6
79.96033	0.5
80.96391	2.7
82.49130	0.3
85.02837	1.3
87.00750	1.2
89.02298	0.5
93.03333	3.0
95.95118	0.9
96.95888	100.0
97.06476	0.4
98.95515	0.4
101.02308	2.3
103.00257	7.3
113.02328	0.6
122.97475	0.4
129.12448	0.4
135.04358	0.4
138.96985	0.8
150.96982	0.7
152.98589	0.9
164.98535	2.1
173.04497	1.6
179.03383	0.4
180.29730	0.3
180.98051	1.9
191.05544	1.3
218.66779	0.3
241.00224	3.6
247.60474	0.3
256.99731	0.9
363.11185	1.4
381.12216	86.9
382.12524	7.5
423.13278	34.2
424.13559	3.6
449.10767	1.1
467.12103	15.6
468.12616	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47005	0.3
51.68718	0.3
55.96793	0.3
59.01247	5.4
63.30936	0.3
69.03336	1.9
69.21537	0.6
69.21944	3.0
70.03703	0.4
71.01247	2.9
73.02824	0.9
73.28367	0.3
79.47787	0.3
80.02545	0.9
81.03333	1.1
82.85244	0.3
83.04894	4.6
84.02041	0.4
85.02807	0.9
87.00765	0.7
89.02316	2.4
93.03339	0.9
95.01269	0.6
95.04901	0.4
96.95884	2.1
97.02822	1.1
99.00696	0.4
101.02325	3.2
113.02355	1.3
119.03351	0.5
125.05949	0.6
126.29011	0.3
135.08017	0.5
137.80826	0.4
141.01843	1.0
142.02177	0.7
147.11720	0.3
147.51958	0.4
152.03407	0.3
160.01521	0.4
161.04454	1.3
162.03194	0.5
163.11185	3.1
165.12766	2.2
181.12265	0.7
185.00858	0.9
187.01263	0.5
191.05569	4.2
191.10616	0.7
209.11768	100.0
210.12100	8.0
227.12840	18.8
227.15154	0.4
228.13200	1.3
231.10167	0.4
235.08266	0.6
241.00157	0.7
253.09262	14.3
253.11917	0.7
254.09567	1.0
271.02444	0.9
271.05978	0.6
275.09192	0.4
277.09875	0.4
289.06903	0.4
300.02805	1.1
301.03433	1.2
377.09219	1.0
463.09067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.5
69.03325	2.7
69.17461	1.4
69.17886	2.4
71.01247	3.0
71.03724	0.4
72.99166	0.5
73.02819	0.4
80.02534	0.8
81.03338	1.2
83.01263	0.6
83.04897	4.2
84.02038	1.2
85.02821	1.3
87.00751	0.8
89.02318	2.9
89.89839	0.3
93.03329	0.7
95.01263	0.5
96.95378	0.4
96.95889	2.8
97.02812	0.9
97.26956	0.4
99.00757	0.7
101.02322	3.3
110.89511	0.4
113.02324	1.6
119.03417	0.7
125.05965	0.5
135.08087	0.7
141.01895	0.5
159.01239	0.3
161.04504	1.6
163.11197	2.7
165.12758	1.5
179.05562	0.6
181.12253	0.8
185.00833	0.9
186.01157	0.6
187.01318	0.9
191.05540	3.0
191.10709	1.1
199.13313	0.5
209.11765	100.0
210.12114	6.8
227.12846	17.1
228.13188	1.1
253.09259	14.1
254.09515	0.6
255.02933	1.2
271.02560	2.4
271.05402	0.5
277.09485	0.5
284.10751	0.4
288.46295	0.4
298.94019	0.4
300.02731	5.0
301.03381	2.5
363.32971	0.4
463.08737	2.8
463.21884	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44609	0.3
57.03251	0.8
57.03500	0.3
58.26905	0.2
59.01153	1.9
69.50189	0.3
70.80039	0.6
78.95677	6.7
78.96173	0.5
96.95876	3.1
97.06401	0.3
104.89163	0.3
110.98413	5.6
113.09607	2.2
152.99498	1.9
160.38263	0.2
167.01082	2.1
177.12642	0.4
179.14255	1.3
181.12177	0.4
185.00726	0.4
185.02150	5.2
195.13832	15.8
196.14072	0.9
209.11674	1.1
221.15192	0.3
268.19370	0.3
277.21710	15.0
278.22067	1.7
295.22766	100.0
296.23108	9.8
350.69153	0.3
463.09515	0.6
463.20087	1.6
463.24997	17.3
464.20306	0.3
464.25327	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	17.8
61.98703	100.0
62.56868	0.6
66.66120	0.5
69.03335	1.9
69.94160	2.2
71.01255	1.4
75.43592	0.5
85.02827	0.9
89.02338	0.8
93.03340	0.6
96.95924	1.5
99.00789	0.6
100.42902	0.6
101.02330	1.6
113.02346	0.7
116.53131	0.5
122.89373	0.6
138.46855	0.5
161.04494	1.1
191.05489	4.0
194.99603	0.6
198.51360	0.6
315.18256	1.5
465.13898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	3.8
59.01260	3.5
61.98678	0.5
69.03316	5.3
69.23035	4.7
70.86500	0.4
71.01263	0.5
78.95779	6.6
83.04905	0.5
93.03288	0.5
96.95894	3.4
97.02812	1.8
97.06458	0.6
98.19831	1.0
99.00742	0.7
109.06456	0.8
110.98409	5.4
113.09612	17.8
139.11171	1.6
141.01802	1.3
152.99466	0.9
167.01039	2.0
167.10730	2.6
177.12788	0.8
179.10641	1.7
185.00793	2.1
185.02139	5.0
195.13815	2.5
203.33711	0.5
207.10222	1.0
209.18762	0.4
225.11266	1.1
249.22194	2.2
275.20090	0.8
279.23187	0.7
293.21222	100.0
294.21548	10.8
461.11990	0.9
461.18259	2.5
461.23688	10.1
462.23450	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0884
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
59.01239	0.6
60.15787	0.2
63.02264	0.7
65.00194	1.5
69.03316	0.3
70.47566	0.2
71.02277	0.3
71.02634	0.3
83.01255	1.1
83.95158	0.2
91.01755	0.3
93.03310	0.4
98.22942	0.2
107.01264	3.0
108.02056	1.7
109.02845	1.4
119.01279	0.3
121.02834	2.5
124.01552	0.4
125.02302	0.3
135.00772	1.1
137.02281	0.2
143.04991	0.2
147.00687	0.2
148.01584	1.6
149.02339	0.4
149.99460	0.2
151.00275	11.2
152.00609	0.2
153.01826	0.3
159.04408	0.5
161.02292	0.2
163.00285	2.7
164.01122	0.9
164.04997	0.2
165.01883	0.2
169.01328	0.8
174.03180	0.2
175.03882	0.3
178.99774	5.4
180.00142	0.3
183.04443	0.5
187.03926	0.7
189.01854	0.2
190.99756	0.5
191.05504	0.4
192.00542	0.5
193.01346	0.3
198.03123	0.5
199.03931	1.0
199.13361	0.3
201.01787	0.3
201.05548	0.4
203.03413	0.3
203.37755	0.2
209.11769	0.3
211.03922	1.3
212.04703	0.2
215.03375	0.8
216.04201	0.8
217.04973	0.2
226.02687	2.7
227.03442	3.9
227.12823	0.3
228.03964	0.4
229.01364	0.3
229.05002	0.8
239.03452	0.2
243.02956	13.4
244.03345	1.3
245.04489	1.2
254.02182	2.7
255.02960	29.2
256.03314	2.3
257.04800	0.2
266.02118	0.2
271.02466	66.7
272.02884	7.0
273.03989	1.2
283.02396	1.2
299.02008	1.9
300.02731	100.0
301.03442	45.0
302.03894	3.4
343.04532	0.5
463.08817	61.6
464.09152	8.3
464.15833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11182	0.2
58.00455	0.2
59.01250	4.3
67.50987	0.2
69.03327	1.2
70.03644	0.2
71.01254	3.0
71.52776	0.4
73.02821	0.6
80.02554	1.2
80.02946	0.2
81.03333	1.1
83.01266	0.4
83.04897	4.2
84.02026	1.0
85.02819	0.9
87.00728	0.5
89.02317	2.8
93.83730	0.2
95.01243	0.3
95.04905	0.8
96.95894	1.1
97.02823	0.6
98.03257	0.2
99.00777	0.5
101.02325	3.1
107.01373	0.3
107.27668	0.2
109.06474	0.3
113.02312	1.3
119.03361	0.7
125.02297	0.3
125.05958	0.4
131.03281	0.2
135.08070	0.5
141.01819	0.4
142.02057	0.2
143.03412	0.2
151.00278	0.7
161.04456	1.4
163.11205	3.4
163.87891	0.2
164.11502	0.2
165.12767	2.0
177.58228	0.2
178.99763	0.4
179.05550	0.3
181.12250	0.3
191.05540	0.6
191.10739	0.9
199.13364	0.3
203.01842	0.2
209.11768	100.0
210.12108	7.9
227.03534	0.3
227.12836	16.0
228.13168	1.2
235.08092	0.4
243.02954	0.3
253.09251	13.5
254.09628	0.8
255.02939	0.5
271.02478	1.1
277.09866	0.2
300.02664	1.6
301.03442	0.8
322.33029	0.2
366.06183	0.2
384.07098	0.4
445.20526	0.2
463.08218	1.3
463.21939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02260	0.5
55.01757	4.5
59.01250	3.1
67.01765	0.7
69.03327	100.0
69.29906	4.0
69.30297	0.7
70.03658	2.4
71.01248	3.0
72.99187	1.5
79.01765	4.4
83.39497	0.4
85.02837	1.3
89.02357	0.5
95.00744	0.6
95.01255	3.3
97.02834	29.9
97.06491	0.9
98.03151	0.6
99.00759	25.7
100.01073	0.5
101.02345	1.0
105.03368	0.7
111.00791	0.5
113.02309	0.9
121.02800	0.6
123.00766	1.6
133.02849	6.9
134.03644	15.6
135.03931	0.6
137.02315	2.4
139.03900	1.1
141.01840	23.6
142.02223	0.6
160.53282	0.5
161.04504	0.6
162.03096	1.0
177.01884	2.7
178.02641	8.3
179.03276	0.6
185.00845	48.7
186.01192	2.1
189.26610	0.5
203.01866	4.4
231.10172	1.3
245.04710	0.8
246.05138	0.5
275.09262	7.2
315.17923	0.6
339.45532	0.6
364.04434	3.4
365.04694	0.8
401.82208	0.5
404.71863	0.5
461.10992	1.8
461.24115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02248	0.5
55.01756	4.7
59.01236	0.8
63.82311	0.4
67.01743	0.5
69.03326	100.0
69.30379	3.7
70.03651	2.3
71.01259	1.4
72.99184	2.1
79.01759	3.2
85.02831	1.0
95.01266	2.7
97.02829	18.8
99.00757	24.0
100.01092	0.5
113.02324	0.6
123.00786	1.2
128.95856	0.4
133.02800	0.4
134.03632	1.7
134.77808	0.4
135.04398	0.5
141.01834	13.6
162.03102	0.6
181.34807	0.4
185.00839	49.8
186.01212	1.6
231.10358	1.1
275.09146	2.3
461.10843	2.6
467.15887	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28648	0.3
53.22983	0.3
55.01757	0.4
57.03337	0.5
57.04757	0.4
58.00459	0.6
59.01251	100.0
60.01585	1.1
61.98697	0.4
69.03338	0.9
69.65441	1.2
69.65855	1.0
71.01254	14.9
72.99187	0.9
73.02814	5.5
75.00777	0.5
81.03317	0.5
83.01263	2.1
85.02821	6.7
87.00767	1.2
89.02319	8.2
93.03321	1.7
95.01281	1.6
96.95889	2.8
97.02853	0.5
98.20495	0.4
99.00753	1.0
101.02311	7.9
107.57635	0.3
113.02331	12.6
119.03371	2.9
122.42550	0.4
123.59234	0.4
131.03407	0.8
135.04454	0.5
143.03427	0.7
161.04453	3.2
173.04517	1.1
179.03453	0.4
179.05580	0.8
191.05550	9.2
192.05916	0.7
225.73059	0.3
241.00211	0.7
397.22205	1.8
415.23444	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95073	1.1
59.01245	3.5
59.39959	1.0
70.54436	4.0
71.01245	3.3
73.02819	48.9
82.93536	1.4
89.02325	4.8
99.00759	6.7
99.39129	1.1
116.92735	4.0
117.01821	100.0
118.02153	3.4
118.04990	1.7
176.38835	1.3
179.05432	1.5
341.10913	3.2
392.28580	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1428
Annotation	Antibiotic BE 24566B
Peak:m/z	Relative Intensity
51.61825	5.3
52.54227	5.2
59.01256	68.0
70.85981	10.8
71.01264	11.5
76.85239	5.4
78.95763	15.5
79.95638	9.4
80.96389	6.5
85.02829	10.5
91.87498	6.2
96.95888	100.0
101.02308	11.8
120.23392	5.1
152.99500	13.7
171.10176	10.7
179.14284	4.9
185.11804	5.8
203.01941	8.0
217.83972	5.5
223.09769	6.4
240.79404	6.3
339.61395	5.6
373.11792	51.8
415.12744	17.9
417.14206	7.9
459.14615	56.0
460.15097	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.5
59.01251	100.0
69.03316	3.0
69.35812	8.6
69.36240	10.0
71.01254	42.1
73.02818	62.2
76.02898	2.3
77.56123	2.2
83.01260	14.6
85.02818	4.1
89.02302	11.8
98.20592	4.8
101.01705	3.5
101.02331	55.6
102.02649	3.0
113.02318	10.0
119.03411	5.8
131.03365	3.9
143.03419	4.2
149.04404	3.0
161.04456	8.8
178.79546	2.3
193.12263	5.3
229.08502	4.0
295.04471	2.7
308.91669	2.9
355.17627	2.8
369.99826	2.6
373.18668	6.8
415.19781	23.1
417.25317	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2905
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
50.64065	0.8
59.78089	0.8
62.51129	0.9
69.39848	5.2
69.40265	1.2
74.90388	0.7
88.46947	0.7
99.33394	0.7
104.05921	0.8
107.04909	31.7
108.05264	1.2
116.92724	3.3
119.79014	0.8
163.11192	100.0
164.11531	5.6
164.93050	0.8
194.34908	0.8
221.31042	0.8
283.17047	23.1
284.17441	2.2
295.17023	14.8
296.17349	1.5
307.88681	0.7
459.29037	67.2
460.29333	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0726
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
55.01778	0.3
57.03334	0.4
59.01253	3.3
61.98710	0.2
63.02266	1.1
65.00189	0.9
68.57034	0.2
69.03326	6.6
69.03689	0.3
69.46571	1.4
70.03687	0.2
71.01254	3.4
71.01619	0.3
72.99172	1.1
73.02850	0.5
75.00745	4.7
77.89262	0.2
79.01782	0.4
79.95625	0.5
82.64624	0.2
83.00826	0.2
83.01286	0.6
85.02829	2.9
87.00757	1.2
89.02317	1.0
95.01263	1.4
96.95906	0.7
97.02827	4.5
98.19820	0.2
99.00758	2.7
101.02334	0.4
103.00299	0.4
105.03352	0.6
107.01281	1.8
109.02833	1.1
109.52899	0.2
111.00797	0.2
113.02335	3.0
113.03074	0.3
115.00304	0.4
117.01852	0.7
121.02801	0.9
123.00804	0.2
123.04418	0.2
129.01842	0.3
132.02141	0.2
133.02846	7.3
134.03712	0.8
135.04431	0.4
141.01833	5.0
147.04416	0.2
149.02356	1.8
149.03438	0.2
150.02754	0.2
151.00269	3.8
155.04791	0.2
159.04417	0.3
161.98970	0.1
168.85193	0.2
171.04391	0.2
173.06091	0.3
174.06831	0.2
175.02428	0.4
175.03880	2.7
175.05272	0.2
175.07578	0.4
176.04295	0.2
177.01825	0.5
179.03474	0.2
181.12215	0.2
185.00815	3.2
185.06035	0.6
186.01158	0.2
187.03909	0.2
187.07623	0.2
189.05473	0.3
191.05510	0.3
197.05963	0.3
198.03221	0.2
199.03908	2.1
201.01869	0.9
203.01913	2.5
204.02335	0.2
207.10245	0.4
211.04001	0.2
213.05544	0.5
213.09119	0.3
215.03416	0.4
217.04988	1.3
223.03969	0.3
225.11218	1.0
229.05025	0.4
231.10258	1.1
239.03482	0.3
240.04230	0.3
241.05037	0.5
243.02968	0.5
253.09277	0.2
255.02998	0.2
257.04596	0.3
257.08057	0.3
267.03073	0.3
275.09244	2.4
284.03317	0.7
285.04028	100.0
286.04376	8.5
297.03952	0.4
299.05661	0.2
327.05151	1.0
357.06033	1.1
369.06302	0.2
381.06195	0.3
461.07132	8.0
462.07590	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	14.6
69.44061	2.6
71.01271	1.6
72.99197	0.7
73.02847	0.9
74.10782	0.3
79.95612	6.1
80.96394	3.0
83.01252	0.5
85.02825	1.7
87.00756	0.6
88.23960	0.4
93.03352	0.8
95.04922	0.3
95.95144	0.8
96.95886	100.0
97.06487	0.4
97.95825	0.4
101.02342	2.1
103.00253	7.0
113.02356	0.6
122.97411	0.4
135.04398	0.6
137.02319	0.4
138.96921	0.6
143.03275	0.4
148.00496	0.3
150.96935	1.1
152.98483	0.9
164.98544	2.2
166.12648	0.3
173.04343	0.4
180.98041	2.3
191.05533	2.1
225.00510	0.3
241.00255	3.5
284.08469	0.3
353.12247	1.2
356.50497	0.3
369.12241	4.6
371.13788	76.9
372.14108	7.2
376.20697	0.4
413.14868	29.4
413.19983	1.2
414.15237	3.7
439.11969	1.5
457.12335	15.3
457.17593	4.1
458.12936	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56062	0.4
70.18698	0.4
70.20927	2.2
73.17677	0.5
77.84216	0.5
97.24487	0.5
99.92453	5.1
100.93242	2.9
115.91962	100.0
116.91968	5.4
116.92754	6.8
132.92261	1.1
172.95374	5.5
173.95468	0.6
182.05879	0.5
250.14828	0.5
283.26550	0.7
325.43802	0.5
357.13834	0.6
383.19202	0.7
409.20740	1.0
457.22549	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.6
57.03319	1.0
58.00468	1.2
59.01251	100.0
60.01594	1.0
61.98708	0.4
67.01764	0.3
69.03321	1.4
70.54970	0.2
71.01253	28.9
71.53294	0.3
72.01602	0.5
72.99179	1.7
73.02818	13.3
74.03157	0.3
75.00736	0.4
79.95593	1.2
80.96419	0.5
81.03305	0.3
83.01255	5.1
84.02030	0.3
84.36694	0.2
85.02825	7.7
87.00767	1.9
89.02317	13.1
93.03346	1.5
93.03867	0.2
95.01270	1.8
96.95891	18.7
97.02822	0.8
98.95491	1.1
98.96319	0.4
99.00770	1.2
101.02324	17.7
102.02670	0.5
103.00267	0.7
111.04387	0.4
112.01580	0.2
113.02332	16.4
114.02667	0.4
119.03385	5.3
124.01405	0.2
125.02370	1.0
129.01888	0.4
131.03391	1.5
133.02937	0.3
135.04417	0.8
137.02357	0.3
143.03397	2.4
149.04494	0.9
155.03423	0.6
161.04454	4.1
164.98572	0.5
165.12682	0.3
173.04538	0.4
179.05525	2.7
180.98222	0.3
191.05554	7.8
192.06032	0.5
193.08684	0.6
227.07507	0.2
229.08934	0.2
241.00201	3.7
253.18130	0.6
283.01385	1.1
327.00259	0.4
371.10614	1.3
397.22256	4.1
398.23035	0.5
413.10852	1.3
413.65179	0.6
414.15930	2.0
414.65848	1.0
415.16498	3.2
415.23520	3.2
416.23636	0.3
434.65594	0.3
435.15872	1.3
449.14651	0.5
457.10480	1.0
457.17163	2.0
457.23837	0.6
458.11276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.8
58.00463	0.5
59.01251	100.0
59.49167	0.3
60.01587	1.1
61.65047	0.2
61.98714	0.8
63.97505	0.2
67.01763	0.4
69.03343	0.9
71.01255	16.0
72.99185	0.9
73.02819	5.0
75.22639	0.2
82.77818	0.2
83.01253	2.0
85.02824	5.4
85.03288	0.4
85.27286	0.2
87.00749	1.5
89.02320	8.6
93.03336	1.6
95.01252	1.4
96.95881	2.4
97.02841	0.4
99.00747	1.4
100.86802	0.3
101.02320	8.0
108.02059	0.6
109.02859	0.3
111.04501	0.3
113.02329	11.7
113.05997	0.3
115.03902	0.3
119.03374	2.8
124.01804	0.2
125.02349	0.5
127.03905	0.3
131.03416	0.9
134.61232	0.3
135.04442	0.5
137.02396	0.3
143.03482	0.6
149.04491	0.4
159.02917	0.5
161.04471	3.0
162.29701	0.3
173.04503	0.5
179.05557	0.7
191.05548	6.0
192.05885	0.5
235.17046	0.3
241.00246	0.5
253.18047	0.3
371.10300	0.3
397.22311	2.0
415.23419	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.8
57.03320	0.8
58.00470	1.1
59.01252	100.0
60.01586	1.2
61.98708	0.5
67.01743	0.4
69.03329	1.7
69.60278	2.0
71.01254	30.7
72.99199	1.6
73.02819	25.1
74.03146	0.3
75.00729	0.4
79.95605	0.4
80.20884	0.3
81.03337	0.6
83.01259	8.0
85.02822	6.4
87.00736	2.2
89.02316	9.7
89.75979	0.3
93.03341	2.5
95.01250	1.8
96.71519	0.3
96.95892	8.8
96.96510	0.5
97.02846	0.8
97.06475	0.3
98.95493	1.0
99.00773	1.3
101.02322	28.5
102.02682	0.8
102.70255	0.3
111.00822	0.4
111.04408	0.4
113.02329	13.8
113.87994	0.3
114.02641	0.3
119.03381	3.6
125.02353	1.8
127.03923	0.4
131.03386	2.2
133.02853	0.4
135.04417	1.3
143.03397	2.8
149.04445	1.9
155.03407	0.8
161.02405	0.4
161.04475	4.9
162.33189	0.3
164.76042	0.3
173.04515	1.2
179.03491	0.5
179.05582	1.1
191.05539	11.5
192.05919	0.7
221.06683	0.3
241.00220	1.8
253.18282	0.4
283.01422	0.8
371.10455	0.5
386.11130	0.3
397.22168	1.7
398.99484	0.3
413.11322	0.5
414.15863	1.5
415.16745	0.7
415.23450	1.8
435.16544	0.4
449.14301	0.6
457.10077	0.6
457.16809	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3529
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
57.07328	0.2
65.07045	0.2
70.86169	0.5
98.20451	0.3
101.19785	0.3
124.30645	0.3
138.48265	0.3
166.07518	0.2
175.78688	0.3
210.12004	0.3
211.75589	0.2
349.34485	0.3
361.81912	0.3
430.29706	0.3
455.35281	100.0
456.35617	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.6
59.01250	25.5
60.01604	0.3
61.98702	0.7
69.03313	0.8
71.01260	3.7
73.02812	2.0
79.95605	5.8
80.96394	2.4
83.01252	0.9
85.02818	3.0
87.00745	1.1
89.02319	0.8
93.03331	1.8
96.95889	100.0
97.02782	0.5
98.95494	0.4
101.02328	3.3
103.00249	8.7
113.02329	1.8
118.94059	0.5
135.04416	1.5
138.96979	0.7
143.03430	0.5
152.98526	1.5
161.04442	1.3
164.98552	2.2
173.04440	0.9
180.97998	2.1
181.61493	0.4
191.05556	6.7
192.05876	0.5
238.26006	0.4
241.00162	4.0
253.18173	0.5
255.42764	0.4
353.12643	1.4
371.13782	92.2
372.14139	9.7
407.36295	0.4
413.14847	32.9
413.64749	1.1
414.15347	4.7
435.15567	0.6
439.12943	1.9
449.14331	0.5
457.13809	21.1
458.13849	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	13.6
70.45193	1.3
71.01244	1.7
73.02015	0.4
73.02827	0.9
77.53076	0.4
79.95606	6.2
80.96381	2.9
85.02824	1.6
87.00745	0.4
96.95888	100.0
97.95784	0.5
101.02332	1.8
103.00252	8.4
107.74579	0.4
113.02356	0.6
116.01061	0.4
121.76039	0.4
122.97415	0.5
127.09805	0.4
138.96982	0.5
143.03389	0.6
150.96971	0.5
152.98584	0.7
164.98546	2.6
180.98013	1.9
191.05533	1.1
241.00203	3.1
291.18100	0.5
353.12717	1.7
371.13782	99.1
372.14084	8.6
397.05936	0.4
413.14862	39.8
414.15161	5.1
439.12720	1.5
457.13824	24.1
457.20236	1.1
458.14246	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.5
59.01253	13.7
60.28945	0.3
61.04932	0.3
69.03325	1.0
69.18177	2.9
69.18588	0.4
71.01251	3.7
72.99182	0.9
73.02820	0.9
75.00742	1.1
79.95607	5.5
80.12608	0.3
80.96397	2.2
83.01248	0.4
84.02020	0.4
85.02824	3.4
87.35285	0.3
89.02306	0.7
95.01236	0.3
95.95119	1.2
96.95889	100.0
97.02818	1.6
97.95813	0.3
98.19828	0.6
99.00745	1.8
100.66924	0.3
101.02317	1.2
102.99626	0.6
103.00259	8.3
113.02339	0.7
115.03893	0.8
119.39710	0.4
129.01814	2.1
138.96971	1.0
139.76584	0.3
150.97002	0.7
152.98521	1.3
159.02885	0.4
164.98575	2.0
168.98091	1.0
176.98517	1.3
177.03987	4.2
180.98036	1.3
191.05438	1.5
194.99707	0.8
238.98607	2.7
239.00697	0.4
241.00212	2.3
242.96765	0.3
252.70380	0.3
256.99710	20.6
257.99991	1.1
276.97513	0.3
288.48929	0.3
299.00742	1.9
351.11386	0.6
369.12216	74.6
370.12555	8.1
411.13284	28.4
412.13663	3.2
413.14545	0.4
437.11060	1.3
455.12222	14.2
456.12607	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1688
Annotation	Kushenol G
Peak:m/z	Relative Intensity
59.01046	0.3
59.01258	3.2
61.98689	1.2
69.03315	0.7
70.81281	0.4
70.81625	1.0
71.01247	1.7
78.23235	0.3
78.95777	28.8
80.02552	2.2
81.03331	2.2
83.01247	0.8
83.04902	9.6
84.02046	2.9
85.02832	1.0
87.00768	0.4
89.02327	0.8
93.03371	0.6
95.04900	1.7
96.95912	3.8
96.96849	2.8
97.02817	0.5
97.06451	0.4
101.02300	1.3
107.53191	0.3
109.06488	0.7
113.02289	0.6
125.05970	0.8
130.08607	1.0
135.04427	0.5
135.08052	1.3
147.11644	0.5
150.97925	0.6
152.99495	41.7
153.99809	1.0
161.02269	0.4
163.11195	7.0
164.11568	0.4
165.12772	4.7
171.00549	3.3
179.03423	0.4
181.12169	0.8
183.14906	0.9
191.05550	2.0
191.10756	1.9
209.11772	100.0
210.12149	7.1
227.03203	4.0
227.12727	12.5
228.13113	0.8
245.04318	2.0
263.14905	1.7
296.09360	0.4
363.12186	2.2
369.03235	0.5
381.12982	0.7
390.33652	0.4
395.19147	2.1
404.34698	0.4
420.21558	0.5
438.22516	0.8
455.16904	82.7
455.24338	2.5
456.17215	10.0
456.23813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0974
Annotation	Riboflavin monophosphate
Peak:m/z	Relative Intensity
50.75761	0.6
59.01234	0.6
69.80650	3.0
73.71217	0.6
75.00746	0.9
78.95776	69.8
85.58507	0.6
89.02308	0.6
96.96840	100.0
110.11340	0.6
138.97932	3.4
164.48146	0.6
198.06654	1.3
199.00058	15.9
212.08333	3.1
212.10081	0.6
213.01634	15.3
241.07228	4.2
255.08833	6.5
437.08209	0.7
455.09711	29.0
455.16125	1.4
456.10037	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01534	0.2
57.03330	0.3
59.01252	16.2
61.98708	0.3
69.03333	1.6
69.69283	1.5
71.01253	2.6
72.99187	0.6
73.02818	1.2
79.95603	6.7
80.96391	2.6
82.11576	0.2
83.01256	0.6
83.04897	0.2
85.02831	1.5
87.00752	0.8
89.02335	0.6
93.03326	0.6
95.95145	0.5
96.95890	100.0
97.02801	0.4
97.95827	0.3
98.95451	0.3
99.00756	0.7
101.02325	2.4
103.00253	8.2
108.02077	0.2
113.02328	0.9
115.11736	0.2
122.97458	0.4
135.04440	0.3
135.09669	0.2
138.96941	0.9
141.01823	0.3
143.03348	0.4
145.17206	0.2
150.18184	0.2
150.96962	0.7
152.98503	1.3
161.04478	0.5
164.98537	2.0
173.04500	0.2
179.03406	0.6
180.98033	2.1
185.00897	0.3
191.05534	2.7
192.05826	0.3
235.97951	0.2
241.00209	3.0
256.99826	0.3
289.16599	0.3
301.93005	0.2
307.17908	0.3
351.11130	1.5
369.12231	81.2
370.12521	7.7
411.13309	31.4
411.17853	0.2
412.13708	4.3
413.14825	3.7
433.14587	0.5
433.64594	0.3
434.15112	0.9
437.11011	1.6
455.11908	19.2
456.12234	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05440	0.4
53.22171	0.3
57.03330	0.4
59.01251	14.5
61.07455	0.4
61.98693	0.8
67.01753	0.5
69.03326	1.8
71.01257	4.4
71.53301	0.5
72.99170	0.9
73.02827	1.8
79.95610	14.4
80.96397	1.5
83.01263	0.7
85.02833	2.6
87.00765	1.2
89.02307	1.4
91.67989	0.4
93.03329	2.8
94.03670	0.8
95.01295	0.5
95.95107	11.6
96.95888	100.0
97.02805	1.4
97.95791	0.5
99.00755	1.5
101.02335	2.7
102.16537	0.4
103.00246	8.3
113.02332	1.4
119.03379	0.4
122.69263	0.4
129.01865	0.4
134.97433	0.5
135.04402	0.7
136.98909	0.5
138.96933	0.4
141.01819	0.6
141.85284	0.3
143.03406	0.5
145.88626	0.4
149.04448	0.4
150.03117	0.4
150.96950	1.1
152.98575	2.7
159.84126	0.4
164.98495	1.4
173.04408	1.2
175.05019	0.5
176.11626	0.4
176.98497	0.7
177.04030	2.0
177.05287	0.5
178.02716	0.9
179.03381	1.4
180.98053	2.0
191.05547	2.8
193.04797	0.5
194.06009	0.6
194.99585	0.8
203.01723	0.4
213.00706	0.5
220.88959	0.4
225.00699	4.5
238.98555	1.4
241.00240	3.2
256.97159	0.6
256.99722	11.9
258.00076	0.6
267.01773	0.4
299.00677	0.8
341.08685	2.2
349.09247	0.8
356.10858	1.7
367.10648	72.0
368.10992	6.0
409.11707	32.1
410.11938	2.8
411.13568	0.5
435.09369	1.1
453.10034	14.3
454.10699	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.5
57.03322	1.2
58.00472	3.7
59.01250	91.1
69.03334	1.7
69.80785	8.3
71.01254	65.5
72.99179	5.1
73.02807	8.4
78.95793	1.5
83.01245	2.5
85.02821	12.1
87.00762	3.2
88.03911	2.8
89.02314	100.0
93.03337	1.5
95.01232	2.0
96.95883	4.8
97.27045	1.3
98.20594	1.4
101.02323	43.7
104.74982	1.2
113.02335	23.0
119.03386	25.9
125.02333	2.3
131.03403	18.5
135.04436	1.6
143.03375	4.1
149.04459	52.0
150.04826	2.0
161.04489	8.4
179.05516	25.6
191.05510	11.2
193.80112	1.3
261.13428	15.2
293.08786	1.4
321.19043	1.7
345.68863	1.2
346.25540	1.5
393.17642	45.4
394.18060	4.3
395.47983	1.7
411.13330	1.8
439.09552	1.7
453.14694	1.9
453.22400	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94877	0.4
59.01242	0.9
71.52845	0.7
71.53211	0.4
78.95777	6.7
79.12551	0.4
140.01091	1.6
144.97849	0.5
152.99478	0.8
196.03714	1.1
214.04817	1.9
225.52612	0.5
255.23267	100.0
256.23602	10.1
393.19580	0.5
444.76440	0.5
452.27762	9.5
453.29745	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00763	0.1
61.21759	0.1
62.96283	0.3
70.44912	0.2
70.45265	0.5
78.95776	19.2
104.97306	0.2
122.00037	0.7
134.98441	0.3
138.01460	0.2
140.01086	5.1
152.99492	1.6
166.02608	0.2
189.74329	0.1
196.03738	10.0
197.04057	0.2
214.04767	2.0
223.34930	0.1
231.15598	0.1
237.22183	0.2
255.23271	100.0
256.23618	10.7
266.64493	0.2
315.75055	0.1
354.35831	0.1
393.11850	0.1
400.28250	0.2
452.27817	23.6
453.28177	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39028	0.9
59.01229	0.9
65.09680	0.9
67.24934	1.0
71.51917	1.0
72.73882	0.9
75.97821	0.8
76.19343	0.8
78.95775	95.9
106.18047	1.0
110.89818	7.3
110.98413	100.0
127.38995	0.9
144.57037	0.9
144.89767	1.0
147.04570	1.1
168.79532	0.9
232.16904	1.0
453.10391	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.8
57.74654	1.3
63.02256	3.4
65.00183	5.4
65.99709	4.6
69.24051	1.6
69.24372	15.6
77.33955	1.3
79.01740	2.0
79.95608	4.1
83.01258	4.5
95.01247	1.4
96.95886	100.0
98.95464	2.2
107.01259	10.9
108.02072	3.4
109.02843	2.8
118.02857	1.5
121.02809	1.6
123.00719	4.3
123.04373	6.1
124.01544	2.0
125.02329	6.4
134.02310	1.9
136.01477	2.1
137.02341	20.5
142.52237	1.5
148.01530	1.7
149.02357	1.7
150.96967	1.4
151.00279	32.9
152.00937	5.5
153.01871	2.1
160.03937	4.6
161.02359	7.3
162.01866	1.7
163.00262	9.9
163.03954	2.4
164.03438	17.9
165.01848	2.9
169.01314	6.1
174.01877	1.7
175.00327	3.4
176.03374	1.8
177.01842	9.6
178.05029	1.9
178.99799	17.8
180.02881	1.9
183.04430	1.9
186.01788	1.7
187.00240	2.0
187.02629	4.7
190.01305	3.0
192.00581	3.6
192.02892	4.2
193.01395	12.3
198.03200	1.6
199.03940	2.9
200.04488	1.5
202.01341	2.6
204.02882	4.7
207.02998	3.4
208.02309	1.7
209.00980	2.1
211.03931	1.7
214.01428	4.1
215.03456	2.1
220.02469	13.7
222.03958	2.0
226.02722	1.8
227.03415	3.3
230.00824	2.8
231.01637	4.5
239.03542	2.2
240.99869	1.9
242.02214	2.9
243.02983	9.5
244.03682	2.4
255.02939	8.2
256.03708	2.3
257.04456	1.9
259.05954	2.6
267.02921	3.7
270.01450	1.7
270.04105	2.3
271.02408	20.6
271.04916	2.5
272.03082	4.6
284.03311	3.5
285.03986	4.7
286.04565	2.8
287.05609	4.8
293.03345	2.4
295.02426	4.9
298.07135	1.8
299.02020	31.1
299.05426	6.1
300.02679	21.3
301.03302	3.1
303.04962	2.3
305.06656	4.4
312.05426	2.0
313.03491	17.4
314.04239	40.3
315.04898	8.0
316.02066	2.9
322.03586	5.9
323.04300	4.0
326.06570	4.5
327.05133	6.2
331.01047	2.0
331.04590	21.5
332.04730	2.8
336.05273	2.9
339.03784	6.0
340.04572	49.1
341.05048	7.2
354.06204	43.4
355.06500	5.5
357.04935	1.6
364.00140	1.5
370.05695	2.3
372.07211	95.5
373.07437	12.3
451.16187	4.9
452.02921	19.3
452.16595	9.2
453.03214	2.9
453.17163	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.9
61.98684	0.5
62.83799	0.2
69.38982	2.1
71.01251	1.5
79.95602	1.5
80.95067	0.2
85.02823	0.7
87.00727	0.2
89.02321	1.6
93.03336	0.7
96.95886	100.0
97.95836	0.4
101.02322	0.6
113.02292	0.4
119.03386	0.4
131.03357	0.3
149.04448	0.6
177.01791	0.3
191.05559	2.5
192.05933	0.9
193.05994	1.9
271.10019	0.3
273.11649	0.9
451.16397	27.3
452.16846	3.4
457.48438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52638	0.1
58.02837	0.3
59.01247	0.6
67.01759	0.1
69.03324	0.2
70.02844	0.1
71.01243	0.3
71.08561	0.1
79.95602	0.3
80.04912	0.4
81.03325	9.5
82.03665	0.3
83.04890	28.3
84.05226	0.8
85.02830	0.2
89.02287	0.1
93.03310	0.4
94.03682	0.1
96.95882	4.4
100.07545	0.3
107.06010	1.0
108.04420	1.1
108.06476	0.1
125.07092	3.3
125.08020	0.2
126.05500	0.5
126.07448	0.1
129.48492	0.1
131.01044	0.1
132.57957	0.1
140.10635	0.1
143.08150	1.8
144.08549	0.1
157.13354	0.1
166.12364	0.1
173.04425	0.2
174.04918	0.1
175.04959	0.1
183.14919	0.2
187.07530	0.1
191.05548	1.0
192.05838	0.6
193.05989	0.9
199.18100	0.2
207.14955	3.6
208.13304	0.3
208.15315	0.3
209.43715	0.1
222.15942	0.1
224.17619	5.4
225.16020	13.4
225.17772	0.5
226.16364	1.0
241.00105	0.1
242.18718	1.7
243.18958	0.1
250.15570	0.3
256.99677	0.1
257.08289	0.1
259.08731	0.1
266.18634	0.1
268.16647	0.3
290.22339	0.5
291.20612	0.1
292.20502	0.2
306.21762	0.2
307.23911	0.3
309.21780	0.5
324.23071	0.1
324.26501	2.1
325.26874	0.2
331.01511	0.1
333.22931	4.8
334.23523	0.6
337.26242	0.1
339.27695	0.3
341.29218	0.2
351.24036	1.3
352.24261	0.1
367.27139	1.2
368.27429	0.1
385.28171	0.6
406.30649	0.1
409.11676	0.5
409.46286	0.1
415.30814	0.1
433.31775	6.1
434.32162	1.0
451.32834	100.0
452.33157	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.0
63.80557	0.2
65.00191	0.4
65.99690	0.3
69.39922	0.7
69.40342	1.0
70.37239	0.3
71.01238	0.9
72.99160	0.2
73.02808	0.5
79.95606	10.3
80.96378	1.2
83.01259	0.6
85.02802	0.6
93.03327	0.6
95.95100	3.7
96.95885	86.8
97.95813	0.2
98.19797	0.4
98.95458	0.5
99.00735	0.3
101.02313	1.0
107.01268	1.0
108.02032	0.5
109.02843	0.3
122.97469	0.7
123.00774	0.6
123.04416	0.5
124.01535	0.3
125.02337	0.8
129.01782	0.3
135.00789	0.3
137.02341	1.9
138.96956	0.6
146.02377	0.4
148.01498	0.2
149.02280	0.4
150.96974	2.1
151.00255	4.1
151.01372	0.4
152.01012	0.7
152.98541	2.3
153.01779	0.4
154.02884	0.2
160.03972	0.5
161.02353	0.7
162.01936	0.3
162.03156	0.3
163.00291	0.9
163.03885	0.3
164.03450	2.6
168.98080	0.3
169.01297	0.7
173.04390	0.2
174.01830	0.4
175.00308	0.3
177.01830	1.3
177.03966	0.4
177.69049	0.2
178.99796	1.9
180.98013	2.4
186.01886	0.5
187.02626	0.4
190.01373	0.6
192.00583	0.3
192.02896	0.4
193.01363	1.3
198.99115	0.7
199.03877	0.3
202.01312	0.3
204.02921	0.5
207.02962	0.3
208.02467	0.4
214.01364	0.6
215.03345	0.3
220.02428	1.6
222.04108	0.3
225.00778	0.5
227.03540	0.4
230.00832	0.4
231.01730	0.7
241.00188	5.8
242.02223	0.3
243.00774	0.2
243.02876	1.3
255.02965	0.7
256.99686	4.4
259.01355	0.4
259.06256	0.4
271.02472	1.6
284.03293	0.4
285.03922	0.7
287.05582	0.7
295.02319	0.3
298.07260	0.3
299.01941	2.8
299.05542	1.0
300.02710	2.7
301.03461	0.3
305.06860	0.4
308.05634	0.2
313.03546	2.1
314.04269	5.2
315.04611	0.3
322.03540	0.6
323.04205	0.9
326.06592	0.7
327.05066	0.9
331.04486	3.0
336.05368	0.3
339.03741	0.7
340.00729	0.5
340.04617	6.7
341.05307	0.4
354.06183	7.1
357.04834	0.3
365.07605	0.7
370.05600	0.9
371.05716	0.3
372.07199	14.6
395.09894	0.5
407.09171	0.4
432.59241	0.3
451.16394	100.0
452.03021	3.6
452.16745	12.1
452.21674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.0
65.00191	0.7
65.99722	0.3
71.01240	1.0
71.53644	0.5
79.95609	4.5
80.96391	1.3
83.01239	0.4
85.02808	0.4
89.81008	0.3
94.97990	0.3
95.01203	0.3
95.95096	0.7
96.95890	100.0
97.02835	0.4
97.95809	0.5
98.95467	1.6
98.96333	0.3
101.02333	1.0
107.01299	1.1
108.02047	0.5
109.02854	0.3
122.97453	0.6
123.00766	1.0
123.04398	0.8
124.01550	0.4
125.02325	1.5
133.02896	0.4
136.01534	0.6
137.02335	2.5
138.96979	0.9
146.02396	0.3
148.01639	0.4
150.96947	0.8
151.00275	5.5
152.01057	0.9
152.98531	1.1
153.01843	0.6
160.03917	0.7
161.02298	0.9
162.01869	0.8
163.00290	1.0
163.03911	0.6
164.01204	0.3
164.03464	4.0
165.01860	0.6
166.91029	0.3
167.03452	0.4
167.67331	0.3
169.01297	0.7
174.01921	0.5
175.00249	0.4
177.01854	1.7
178.99803	3.5
180.98068	2.3
182.03821	0.3
187.02652	0.8
188.03377	0.4
190.01384	0.6
191.02095	0.4
191.05624	0.3
192.00555	0.4
192.03026	0.4
193.01395	1.5
199.03905	0.4
202.01256	0.7
204.02940	0.6
207.02904	0.3
208.02440	0.5
214.01276	0.6
215.03517	0.4
220.02420	2.7
222.03972	0.6
227.03461	0.5
230.00984	0.6
231.01559	0.8
231.45958	0.3
241.00203	4.9
241.26666	0.4
243.02908	1.8
244.03798	0.4
255.03156	0.7
256.99820	0.6
259.06210	0.3
263.05756	0.3
267.02872	0.6
271.02429	2.7
272.03268	0.8
275.05554	0.4
284.03296	0.8
285.04132	0.8
286.04526	0.5
287.05533	0.8
294.04211	0.4
295.02280	0.7
299.01965	5.5
299.05533	1.5
300.02740	4.2
302.06552	0.4
303.04971	0.5
305.06610	0.6
309.04089	0.5
312.05304	0.3
313.03479	2.6
314.04251	8.7
315.05008	0.9
316.02063	0.6
322.03519	1.2
323.04282	0.6
326.06680	1.0
327.05121	1.7
330.06262	0.3
331.04501	4.7
339.03815	1.2
340.04599	9.7
341.05368	0.8
354.06171	9.9
357.04691	0.4
365.07736	1.8
370.05746	0.5
371.05798	0.5
372.07208	19.7
395.00684	0.5
407.08597	0.9
451.16412	85.2
452.03012	4.6
452.16779	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.3
62.96257	0.4
64.27116	0.2
65.24651	0.2
67.01748	0.7
70.09725	0.5
70.10119	0.5
71.01262	0.6
78.95774	73.5
79.11755	0.2
87.00763	1.0
93.03339	3.3
96.95880	0.5
96.96840	6.4
111.04457	0.4
116.92776	0.3
124.92303	0.2
131.66681	0.2
133.02872	0.2
134.03676	0.2
135.04428	0.6
150.97922	1.4
152.99486	100.0
153.99829	2.2
154.99908	0.4
155.06178	0.2
169.16418	0.2
171.00562	2.3
173.04453	2.5
191.05544	2.1
195.14017	0.3
238.50864	0.2
277.21542	0.2
295.22754	0.6
301.09570	0.2
308.08557	0.2
368.76181	0.2
408.93649	0.2
412.85281	0.2
449.14810	1.1
449.23047	19.3
450.23315	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.1
62.36316	1.0
67.17969	1.1
70.40755	1.3
71.21149	1.0
71.52984	1.7
78.95764	6.6
93.03342	1.7
104.91674	1.2
110.98419	3.3
141.28748	1.1
152.99472	2.6
158.12253	1.0
167.01120	2.4
185.02135	2.2
222.84460	1.3
253.80585	1.2
281.24844	100.0
282.25232	11.5
441.14542	1.2
449.27026	5.9
450.26895	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0721
Annotation	glycosmisic acid sulfate
Peak:m/z	Relative Intensity
53.89626	0.1
56.01725	0.1
57.03314	0.1
59.01245	1.4
60.99172	0.5
67.01759	1.3
68.02097	0.3
69.03332	0.5
71.01254	1.0
72.99175	0.3
73.02801	0.2
78.91752	0.2
78.95776	0.3
79.95605	5.2
80.96391	0.3
81.03321	0.1
81.95181	0.3
83.01257	0.1
83.04883	0.2
84.38950	0.1
85.02814	0.5
87.00747	1.9
88.01085	0.3
89.01172	0.2
89.02314	0.2
93.03330	6.8
94.03674	2.0
95.03846	0.2
95.95130	0.7
96.95886	100.0
97.95826	0.5
98.95466	4.3
98.96296	0.7
99.00748	0.2
101.02317	0.6
108.02045	0.3
109.02847	0.4
110.97448	0.3
111.04388	0.9
112.04738	0.3
113.02338	0.4
120.99500	0.1
121.02834	0.1
122.97478	0.2
123.04375	0.2
127.03976	0.1
129.01782	0.2
133.02838	0.3
134.03633	0.6
135.04422	0.3
136.01584	0.1
137.02336	0.6
137.54034	0.1
138.09814	0.1
138.97005	0.1
140.59576	0.1
143.03426	0.2
146.22304	0.1
147.04425	0.1
148.05144	0.2
148.64183	0.1
149.06058	0.1
150.96985	0.5
151.03914	0.2
152.98526	0.4
153.01834	0.2
155.03398	0.2
160.05171	0.3
163.03760	0.2
173.04472	3.8
174.04820	1.5
175.04965	1.0
177.03964	0.2
179.03391	0.1
179.63443	0.1
180.98064	0.4
191.03595	0.2
191.05534	1.1
191.07002	0.2
192.05917	0.5
193.06020	0.4
231.10287	0.3
239.07072	0.3
241.00198	1.3
242.99854	0.3
245.01337	0.1
249.05542	0.2
251.07167	0.2
256.99680	0.8
267.06635	1.5
268.07117	0.2
275.09320	0.2
276.09656	0.3
277.09866	0.3
279.06659	0.2
282.09058	0.5
294.62357	0.1
295.06174	0.1
297.11429	0.1
300.02695	0.2
304.74588	0.1
309.60574	0.1
311.05615	0.2
315.05463	0.1
323.05600	0.2
326.07864	0.9
327.08575	0.2
338.07928	0.2
341.10229	0.5
353.10257	0.2
371.11432	0.2
379.99707	0.1
409.11798	0.2
450.15125	2.5
451.07098	20.6
451.15900	19.5
452.07452	2.4
452.16348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.2
56.13073	0.2
57.03326	0.2
59.01254	3.2
60.99179	1.0
61.98690	0.5
67.01764	1.6
68.02081	0.5
69.03334	0.6
70.44861	0.6
71.01254	2.7
72.99173	0.5
73.02817	0.8
79.95606	4.2
80.96394	1.6
81.03335	0.5
81.95194	0.4
83.01266	0.4
83.04888	0.3
83.37139	0.2
85.02834	1.3
85.88237	0.2
87.00740	3.1
88.01078	0.5
89.01173	0.3
89.02319	0.3
93.03334	12.2
94.03672	3.6
94.97958	0.3
95.01289	0.3
95.03844	0.4
95.95121	1.0
96.95889	100.0
97.95826	0.9
98.95468	11.5
98.96294	2.2
99.00748	0.3
101.02317	2.0
111.04372	1.6
112.04717	0.6
113.02327	0.8
113.04893	0.3
122.97475	0.5
128.49191	0.2
129.01778	0.4
133.02835	0.4
134.03651	1.0
135.04376	0.6
136.04799	0.3
138.96983	1.0
141.23474	0.2
143.03426	0.3
150.96985	0.7
152.98544	4.8
155.03383	0.5
160.01579	0.3
161.02315	0.7
161.04453	0.3
163.03581	0.3
173.04482	5.6
173.05975	0.3
174.04828	3.0
175.04945	2.7
179.03426	3.6
180.03825	0.2
180.98051	2.0
191.05544	4.6
192.05840	1.3
193.05998	1.8
194.05792	2.8
209.08142	2.7
225.00543	0.3
231.10175	0.4
233.10780	0.2
241.00206	41.9
242.00423	1.7
243.00082	0.8
245.94666	0.2
256.99854	0.3
259.08887	0.2
276.09604	0.5
277.09778	0.6
331.17557	0.2
349.18622	0.4
353.07870	0.2
365.08987	0.3
388.16068	0.3
391.19778	0.3
408.10773	0.3
450.15082	0.6
451.09015	20.6
451.15472	36.1
452.09329	2.4
452.15887	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.148
Annotation	Suvorexant
Peak:m/z	Relative Intensity
51.54403	0.3
52.18154	0.3
55.11079	0.3
58.00459	0.3
59.01245	2.5
60.99158	0.5
67.01769	1.8
69.03330	0.4
69.46576	2.1
71.01249	1.6
72.99187	0.3
73.02834	0.4
75.07135	0.3
79.95122	0.5
79.95606	10.0
80.96390	1.8
85.02824	0.9
87.00766	2.0
89.02275	0.4
93.03334	9.9
93.03924	0.5
95.95106	3.6
96.95888	90.6
97.95821	0.5
99.00792	0.5
101.02330	1.4
103.00237	0.7
111.04420	1.7
113.02335	0.4
122.97439	0.6
134.03600	0.5
138.96959	1.1
150.96951	1.8
151.07552	0.8
152.98520	3.0
155.03448	0.3
173.03093	0.5
173.04474	6.2
177.03931	0.4
180.98073	2.7
191.05542	2.4
194.99760	0.4
231.10228	0.6
241.00185	8.3
242.00500	0.6
256.99719	3.2
257.08310	0.6
259.01349	0.4
275.09204	0.8
302.12274	0.3
363.02991	0.5
363.07526	6.9
364.07913	0.8
370.09253	0.4
379.10529	0.5
393.08578	0.7
405.08481	2.6
416.72211	0.4
449.14825	100.0
450.08801	0.7
450.15161	12.7
465.62341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1483
Annotation	Suvorexant
Peak:m/z	Relative Intensity
52.26099	0.2
53.74400	0.2
55.01740	0.3
59.01254	3.8
60.99174	0.3
63.94057	0.2
67.01753	0.8
69.03333	1.5
69.23837	0.6
69.24252	1.5
71.01244	1.3
73.02835	0.3
79.95604	4.2
80.75561	0.2
80.96391	1.6
84.19740	0.2
85.02826	1.0
85.61005	0.2
87.00740	1.5
89.02305	0.2
93.03333	5.7
95.95106	0.7
96.95887	88.1
97.02862	0.4
97.95847	0.4
99.00748	0.3
101.02317	1.4
111.04404	0.8
113.02338	0.5
117.01687	0.2
117.66874	0.2
120.99441	0.2
122.97441	0.5
129.01830	0.2
133.02878	0.8
134.03607	0.7
135.04417	2.5
138.96994	1.2
143.03319	0.3
145.02855	0.3
150.96982	0.9
151.03914	0.4
152.98511	1.4
159.04631	0.2
162.03145	0.3
173.04475	3.0
177.01895	0.3
179.03424	0.8
180.98053	2.8
185.00874	0.3
187.07584	0.4
191.05540	5.6
192.05865	0.5
198.99216	0.3
241.00180	5.7
241.02536	0.4
242.00281	0.4
250.96092	0.2
256.99683	0.7
257.08151	0.4
259.01279	0.6
275.09244	0.9
308.08923	0.4
351.06952	0.3
352.07950	0.5
391.10605	0.3
405.64737	0.5
449.14838	100.0
450.15149	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02696	0.2
50.43844	0.1
52.85601	0.2
56.54626	0.2
57.66798	0.1
59.01252	0.7
59.96766	0.2
62.96283	0.2
67.01749	0.2
67.02430	0.1
69.62383	1.2
71.01269	0.2
72.97065	0.2
75.66562	0.1
78.95774	50.8
79.17440	0.1
79.42035	0.1
85.02818	0.2
87.00751	0.4
93.03333	1.7
95.73830	0.1
96.95895	0.3
96.96838	6.0
99.64629	0.2
106.83935	0.1
135.04402	0.2
150.97922	1.8
152.99489	100.0
153.99812	1.8
171.00557	4.3
173.04482	0.8
191.05582	0.9
195.13849	0.2
220.94765	0.2
243.70680	0.2
261.93134	0.2
268.23016	0.1
277.21808	0.2
295.22800	0.5
449.14108	0.4
449.23117	11.7
450.23642	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97613	0.6
55.59150	0.6
59.01257	16.2
60.99165	2.0
67.01775	4.0
67.35271	0.8
69.03326	1.3
69.37103	4.4
69.37512	1.0
71.01242	3.0
73.02812	1.8
79.95605	5.6
80.96392	2.4
81.03320	1.3
85.02824	2.6
85.57031	0.6
87.00753	5.0
87.47501	0.6
89.02314	1.3
93.03335	24.1
96.95891	100.0
99.00786	0.7
99.04374	0.6
100.23401	0.7
101.02330	2.8
103.00249	7.7
111.00880	0.7
111.04392	3.4
113.02328	1.2
119.03390	0.7
122.97465	0.7
129.01770	1.1
134.03619	1.4
151.00269	0.8
152.98526	1.2
155.03413	1.1
164.98505	3.7
173.04482	15.3
175.07355	0.7
180.98061	3.1
187.07631	0.9
191.03957	1.2
191.05544	13.5
198.69504	0.6
203.10640	0.6
231.06584	0.7
231.10225	1.8
241.00241	4.0
257.08075	1.2
271.02469	0.8
275.09253	3.0
299.01935	1.0
330.03717	2.1
345.06415	1.0
363.07544	91.7
364.07837	9.0
370.05515	1.8
370.09616	3.0
405.08582	38.9
406.08902	2.9
431.06323	2.0
449.07532	19.0
449.14514	12.5
450.07870	2.1
450.14874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.3
59.01245	2.6
60.28676	0.2
60.99181	0.5
67.01762	1.2
69.03330	0.8
69.36188	1.8
71.01250	1.3
73.02820	0.5
79.68655	0.2
81.03320	0.6
83.04893	0.6
85.02822	11.7
86.03214	0.2
87.00750	3.5
93.03336	9.7
93.03925	0.5
94.03680	0.3
96.95883	1.0
99.00787	0.3
99.04394	0.6
101.02319	0.3
109.02824	1.0
111.04396	1.8
113.02348	0.3
115.30409	0.2
117.67391	0.2
125.02377	0.2
127.03907	2.3
143.26851	0.2
155.03328	0.3
159.04405	0.3
171.02913	0.5
172.05179	1.6
173.04457	4.6
173.05812	0.5
183.04428	0.7
187.07573	7.7
188.07976	0.7
191.05537	100.0
192.05881	4.0
199.03876	0.6
200.04652	0.4
201.44147	0.2
202.06255	0.4
213.05652	0.2
213.09154	1.5
214.06386	0.3
215.07140	1.5
227.03436	0.8
228.04163	1.0
229.08722	0.6
231.06660	0.4
231.10196	1.3
257.08185	8.7
258.08578	0.7
269.13907	0.3
275.09253	1.0
279.77185	0.2
363.07242	0.4
449.14612	2.1
450.14511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64017	0.5
56.06504	0.5
57.03320	1.6
59.01259	2.4
60.99176	5.7
67.01762	13.9
69.03331	4.6
70.82551	0.9
71.01249	4.9
74.29964	0.5
81.03332	2.3
83.04891	1.9
85.02820	1.6
87.00753	22.0
93.03336	100.0
94.03656	2.6
96.95872	0.6
99.00762	2.0
99.04379	1.8
101.02306	0.6
105.03330	1.9
109.02819	1.0
111.03626	0.9
111.04398	15.0
113.02340	1.5
115.03892	1.1
123.04400	0.6
124.01549	0.5
124.35541	0.5
129.01790	2.4
133.02843	4.4
134.03629	9.9
135.04442	9.0
137.02361	0.9
140.68941	0.5
143.03392	1.4
150.03165	0.5
151.03922	1.1
155.03395	3.3
158.65149	0.4
160.01581	1.1
161.02296	1.0
161.21254	0.5
162.03189	2.6
162.13315	0.5
169.65051	0.6
173.04469	71.1
174.04805	2.3
177.01901	0.6
179.03427	1.8
180.04077	0.5
187.07550	0.6
191.05551	12.2
200.37737	0.5
231.10266	5.0
257.08185	1.0
275.09241	5.0
308.09033	2.2
351.07370	1.1
352.08044	1.6
378.84763	0.6
407.26062	0.5
449.14508	47.5
450.14886	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24046	0.2
59.01243	0.6
61.15040	0.2
62.70409	0.2
71.01846	0.5
78.95777	5.7
86.24129	0.2
99.30878	0.2
104.97327	0.3
110.98417	4.0
152.99515	0.4
156.11993	0.2
167.01021	2.1
184.15034	0.2
185.02127	3.6
193.61850	0.2
209.58836	0.3
261.22183	0.3
279.23282	100.0
280.23624	13.0
281.85443	0.2
311.93991	0.2
447.25201	5.1
448.25409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01927	0.2
55.89275	0.2
59.01228	0.8
67.87742	0.2
70.55937	0.6
78.95774	6.2
80.42947	0.3
98.19918	0.3
110.97652	0.3
110.98413	4.5
121.36182	0.3
152.99483	0.6
167.01050	3.1
176.36089	0.3
185.02109	3.8
207.22949	0.3
232.67334	0.3
259.15408	0.3
261.22299	0.5
267.68506	0.2
279.23273	100.0
280.23624	11.8
280.26767	0.5
365.92517	0.2
447.25137	6.0
448.25516	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.2
59.29677	0.2
60.01590	0.6
61.01677	0.4
61.98702	100.0
71.01270	1.4
85.02843	0.3
89.02306	1.4
96.95923	0.6
98.20595	0.4
101.02289	0.5
113.02328	0.7
119.03403	0.6
125.02367	0.3
143.04553	0.3
153.05634	0.3
153.09203	0.2
158.03741	0.2
161.04482	0.3
173.04366	0.3
179.05602	0.4
191.05557	1.2
203.01956	0.3
211.99792	0.3
238.32921	0.3
259.06091	0.3
260.82901	0.2
269.04514	0.5
351.66800	0.3
437.99207	0.2
449.19919	0.4
458.59973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.4
59.01250	14.0
60.99176	1.2
67.01757	2.2
67.11901	0.2
69.03333	1.0
71.01254	2.7
72.99178	0.4
73.02827	1.3
73.28075	0.2
76.96890	0.2
79.95608	6.2
80.96393	2.9
81.03322	0.4
83.01247	0.6
83.04881	0.4
85.02812	2.5
87.00745	4.0
89.02312	0.9
90.00177	0.2
92.68497	0.2
93.03335	18.0
94.03667	0.4
95.01273	0.4
95.95100	0.7
96.95888	100.0
97.02771	0.4
97.95811	0.4
98.19810	0.4
99.00751	0.6
99.04412	0.4
101.02338	2.3
102.20989	0.2
103.00252	8.8
107.01265	0.3
109.02833	0.4
111.00746	0.3
111.04411	3.3
113.02345	0.8
114.17950	0.2
119.03458	0.3
120.95906	0.2
122.97430	0.5
125.02254	0.3
127.03909	0.3
129.01845	0.5
133.02827	0.5
134.03616	0.8
135.04414	0.5
138.96991	0.7
139.00282	0.2
143.03352	0.6
150.96953	0.7
151.00278	0.5
152.98511	0.9
155.03413	0.7
164.98523	2.8
173.04468	13.8
174.04811	0.5
174.06842	0.3
175.07423	0.3
180.98038	2.6
187.07529	0.9
189.62968	0.2
191.05537	13.4
192.05853	0.4
202.06230	0.4
203.10706	0.3
210.56558	0.2
221.08513	0.2
222.98981	0.3
227.03395	0.5
229.03963	0.3
231.10202	1.3
241.00156	3.6
256.03387	0.3
257.08255	1.6
271.02322	0.4
275.09253	2.3
285.03952	0.4
286.04114	0.3
287.01981	0.4
299.01999	0.5
300.02567	0.3
315.01517	0.3
330.03818	1.5
345.06549	1.5
350.50662	0.2
355.07031	0.3
363.07541	91.2
364.07858	7.9
369.07828	0.4
370.05539	2.2
370.09445	1.2
405.08582	38.9
406.08893	3.8
431.06485	1.5
432.06641	0.3
449.07574	18.8
449.14505	9.1
450.07935	2.0
450.14981	0.9
473.30234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01754	4.0
57.03322	3.8
58.00469	4.5
59.01251	96.5
60.01589	0.9
65.00195	0.4
67.01761	0.4
68.99657	0.4
69.03326	2.4
71.01254	100.0
72.01596	1.3
72.99178	5.2
73.02817	18.6
75.00751	0.9
81.03347	1.2
82.20540	0.3
83.01258	10.0
85.02823	26.3
85.99972	0.7
86.03170	0.6
87.00748	7.8
89.02317	88.0
90.02647	1.7
93.03330	0.8
95.01266	3.9
96.95874	0.6
97.02836	3.1
99.00756	7.5
99.04399	0.5
101.02322	62.1
102.02657	1.5
107.01279	0.3
109.02842	0.9
111.00769	5.3
113.02330	27.0
114.02671	0.6
115.03902	1.6
119.03388	11.6
125.02338	6.3
127.03901	0.7
127.83549	0.3
129.01814	0.8
131.03397	40.4
132.03731	1.1
137.02365	0.4
139.03902	0.3
141.01877	0.3
143.02347	0.5
143.03395	6.0
149.04462	39.3
150.04802	1.0
151.00273	1.6
159.02899	3.1
161.04468	23.4
162.04793	0.6
173.04445	0.9
179.05551	3.4
187.05872	0.3
191.05547	17.3
192.05760	0.7
205.03474	0.9
211.13319	0.6
215.05539	0.9
233.06612	4.5
237.14957	0.5
238.57152	0.3
251.07646	0.5
293.08731	1.6
295.05838	0.8
297.17120	0.5
315.18115	17.4
316.18466	1.4
366.15198	0.3
367.04581	1.1
403.54041	0.3
447.22272	39.4
448.22598	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01756	3.3
57.03322	3.7
58.00472	4.6
58.24831	0.3
58.71143	0.4
59.01250	94.0
60.01594	0.7
67.01747	0.9
69.03327	2.2
69.18379	3.9
71.01253	100.0
72.01579	1.7
72.99172	4.8
73.02822	16.4
74.98937	0.4
75.00740	0.4
78.95753	0.4
81.03324	0.5
83.01257	8.4
83.01720	0.7
84.01629	0.4
85.02822	31.9
86.03159	0.5
87.00751	6.3
87.04386	0.4
89.02316	87.5
89.97044	0.4
90.02665	1.4
93.03310	1.6
95.01267	5.8
96.95873	1.2
97.02818	1.8
98.20673	0.6
99.00755	8.0
99.01353	0.6
101.02322	59.4
102.02656	1.3
109.02802	1.0
111.00752	1.0
113.02329	36.1
114.02660	1.2
115.03844	0.4
119.03391	28.0
120.03717	0.8
125.02339	3.0
129.01787	1.2
131.03395	14.6
135.04422	0.6
136.99005	0.5
141.01799	0.5
143.02348	0.7
143.03401	7.8
147.70427	0.4
147.91759	0.4
149.04457	17.0
151.00285	0.4
153.01846	0.5
159.02910	5.0
161.04463	40.8
162.04770	1.2
173.04417	1.1
179.05530	12.6
180.05873	0.5
191.05530	10.7
193.50899	0.3
205.03430	1.6
211.13309	3.7
233.06587	1.0
304.25000	0.4
315.18103	36.7
316.18362	3.2
359.17120	0.6
447.12982	0.7
447.22195	10.7
448.22458	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.5
57.03324	2.6
58.00468	4.2
59.01251	91.0
60.01600	1.9
64.37411	0.5
67.01765	0.8
69.03327	2.1
70.46279	0.5
71.01253	79.5
72.01586	1.4
72.99176	4.8
73.02819	12.6
79.95611	1.9
81.03346	0.5
83.01259	3.5
85.02824	16.9
85.27966	0.4
87.00738	5.1
89.02318	100.0
90.02668	1.1
93.03339	3.9
95.01260	2.8
95.95085	0.7
96.95887	9.8
97.02840	1.9
98.20563	1.2
98.95480	0.6
99.00764	3.3
101.02325	43.2
101.18454	0.5
102.02670	0.8
109.02829	2.0
111.04362	0.5
113.02327	18.7
119.03394	16.0
125.02351	3.8
129.01808	0.9
131.03401	26.7
132.03691	1.0
133.02782	0.6
134.03648	0.5
135.04442	1.0
143.03406	3.7
149.04462	52.1
150.04808	1.0
151.51700	0.5
153.01813	1.7
161.04451	7.0
173.04460	2.7
179.05547	10.6
191.05542	21.8
192.05766	1.0
211.13283	1.8
228.68941	0.6
255.06537	0.7
256.99609	1.4
285.04004	1.0
297.03735	0.8
315.15167	0.7
315.18112	7.9
316.18350	1.2
361.10065	0.8
381.60272	2.2
382.10098	1.1
402.61050	0.8
403.59985	0.7
447.12787	1.8
447.22385	7.2
448.22238	1.0
474.14587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78991	0.3
57.03329	0.6
58.00466	0.5
59.01250	100.0
60.01599	1.2
63.26715	0.2
71.01260	10.7
72.99178	0.7
73.02814	0.8
73.52216	0.2
74.93710	0.2
83.01286	0.3
85.02814	2.0
87.00757	0.6
89.02316	17.2
95.01287	0.6
96.95888	1.3
99.00770	0.3
101.02324	7.4
107.04956	0.4
113.02332	5.2
115.03992	0.2
119.03388	7.4
121.04719	0.3
131.03406	1.2
143.03392	0.6
149.04460	0.7
149.05945	0.3
161.04453	1.6
163.11194	0.7
179.05518	1.1
187.11150	0.4
191.05663	0.3
205.12289	6.4
206.12627	0.4
223.13307	0.3
318.02252	0.3
325.15790	0.3
359.10272	1.1
401.11145	0.3
445.20889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
61.98699	2.9
69.28387	5.0
69.28812	4.9
71.01256	1.2
78.95789	7.7
89.02316	2.7
90.03127	0.9
91.03889	3.9
96.95887	2.1
112.14081	1.0
113.02303	0.9
121.02810	1.8
122.93991	0.9
137.73001	0.9
140.01117	1.8
152.99525	2.3
196.03796	2.4
209.11781	2.2
211.13249	2.2
249.18565	18.4
292.94733	1.0
311.22272	19.5
312.22656	1.1
445.11749	1.3
446.23108	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98682	2.0
71.01250	1.6
78.95771	4.7
89.02321	2.4
91.03888	1.7
96.95885	2.2
121.02739	1.7
122.53825	1.1
140.01234	1.2
152.99507	7.5
196.56194	1.3
209.11758	1.9
210.75964	1.2
211.13246	1.3
249.18491	2.4
270.09827	1.2
311.22250	10.9
377.82401	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0931
Annotation	luteolin-7-O-glucoside
Peak:m/z	Relative Intensity
59.01244	2.3
59.81319	0.4
65.00171	0.6
80.92094	0.4
81.15869	0.4
83.01263	0.4
91.01794	0.5
99.41940	0.4
101.02296	0.5
107.01271	0.8
107.26053	0.4
123.35502	0.5
133.02879	2.0
135.00775	0.7
142.31845	0.5
147.04399	0.9
148.01595	2.7
149.02293	0.7
149.31912	0.5
151.00272	2.1
158.03560	0.5
172.96140	0.4
173.30038	0.4
175.03929	0.6
176.01089	2.6
177.01833	1.8
181.40419	0.5
183.04361	0.9
184.05257	0.6
185.05966	0.6
187.01627	0.5
187.03824	0.5
191.05516	1.9
195.04582	0.5
197.06029	0.7
199.03886	1.1
200.04648	0.7
211.03955	1.6
212.04662	1.5
213.05440	0.8
215.03474	0.7
217.04988	0.7
223.03737	0.4
227.03452	4.2
228.04163	0.7
229.05020	1.7
239.03413	1.9
240.04306	1.1
241.04990	0.9
243.02975	1.2
255.02989	3.7
256.03769	2.4
257.04620	2.3
267.02884	0.6
268.03769	1.0
283.02585	3.0
284.03253	33.9
285.04025	100.0
286.01248	0.6
286.04364	8.8
442.96341	0.4
447.09302	46.3
448.09607	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42386	0.3
54.91825	0.3
56.62895	0.3
59.01251	0.7
62.96274	1.1
78.95774	43.5
89.80074	0.3
96.96841	2.9
98.19778	1.0
148.99997	18.9
150.00278	0.4
150.81706	0.4
153.54767	0.3
158.92442	1.9
179.01089	2.4
205.15948	1.6
219.03304	0.3
230.13054	0.6
240.96638	0.5
315.40369	0.3
347.08453	0.4
417.12595	0.8
431.10181	2.7
447.13412	100.0
448.13763	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68386	0.4
56.65814	0.4
59.01249	5.2
61.98703	1.1
67.95317	0.5
78.95776	56.2
84.06129	0.4
96.95878	0.5
96.96839	6.5
98.20644	1.0
121.45172	0.5
127.24924	0.4
150.97905	1.8
152.99486	100.0
153.99844	1.6
171.00546	4.4
211.13283	1.5
293.21136	0.6
447.21533	8.8
448.22009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29918	0.7
59.01251	100.0
60.01577	2.0
61.98681	2.1
67.39078	0.9
70.29751	0.9
70.74805	2.1
70.75165	1.4
71.01247	9.9
72.99164	1.4
73.02802	1.6
83.66496	0.8
85.02803	1.7
85.50381	0.9
89.02322	13.5
96.95903	0.9
98.59071	0.8
101.02325	6.0
101.83177	0.9
113.02318	3.8
116.55615	0.9
119.03390	4.3
161.04462	1.7
179.05499	3.3
191.05470	1.1
207.86552	0.8
320.15317	0.8
447.16510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65777	0.9
58.75645	1.1
59.01251	100.0
61.98686	1.2
62.14316	0.9
69.03326	3.0
70.54440	2.9
71.01245	9.9
72.99191	1.2
73.02814	1.9
78.95782	1.4
82.01092	0.9
83.01251	1.7
85.02821	4.7
89.02326	8.0
93.03346	1.1
96.95898	3.2
101.02315	6.6
113.02338	3.4
119.03365	2.4
129.62317	1.1
133.02841	2.8
135.04448	1.1
142.31374	1.1
152.99487	1.9
155.10690	1.9
161.04457	3.6
179.05586	1.6
189.12767	1.2
191.05559	7.2
219.10574	1.2
255.16603	1.1
263.73520	1.1
270.76944	1.0
285.04062	3.2
297.03903	4.0
298.04822	3.3
299.05704	5.5
327.05051	13.2
349.02917	1.1
357.06128	7.3
387.20364	4.3
393.98941	1.2
447.09250	7.1
447.14438	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01759	1.5
57.03324	2.6
58.00468	4.2
59.01251	91.0
60.01600	1.9
64.37411	0.5
67.01765	0.8
69.03327	2.1
70.46279	0.5
71.01253	79.5
72.01586	1.4
72.99176	4.8
73.02819	12.6
79.95611	1.9
81.03346	0.5
83.01259	3.5
85.02824	16.9
85.27966	0.4
87.00738	5.1
89.02318	100.0
90.02668	1.1
93.03339	3.9
95.01260	2.8
95.95085	0.7
96.95887	9.8
97.02840	1.9
98.20563	1.2
98.95480	0.6
99.00764	3.3
101.02325	43.2
101.18454	0.5
102.02670	0.8
109.02829	2.0
111.04362	0.5
113.02327	18.7
119.03394	16.0
125.02351	3.8
129.01808	0.9
131.03401	26.7
132.03691	1.0
133.02782	0.6
134.03648	0.5
135.04442	1.0
143.03406	3.7
149.04462	52.1
150.04808	1.0
151.51700	0.5
153.01813	1.7
161.04451	7.0
173.04460	2.7
179.05547	10.6
191.05542	21.8
192.05766	1.0
211.13283	1.8
228.68941	0.6
255.06537	0.7
256.99609	1.4
285.04004	1.0
297.03735	0.8
315.15167	0.7
315.18112	7.9
316.18350	1.2
361.10065	0.8
381.60272	2.2
382.10098	1.1
402.61050	0.8
403.59985	0.7
447.12787	1.8
447.22385	7.2
448.22238	1.0
474.14587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03185	0.5
59.01250	100.0
60.01582	1.7
61.98714	1.8
71.01280	0.6
78.95776	3.7
89.02316	0.7
111.89394	0.6
148.99994	5.5
159.80087	0.6
205.15933	4.9
206.16299	0.6
209.11800	1.1
265.24445	0.5
345.81552	0.7
350.00745	0.6
355.16785	20.8
356.17233	1.8
385.17828	12.7
386.18283	1.6
445.20117	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55270	0.6
56.45639	0.6
58.00476	1.0
59.01250	100.0
60.01588	1.0
61.98693	1.3
69.03338	1.0
69.75383	1.8
69.75788	1.3
70.99505	0.7
71.01250	15.7
72.58788	0.5
72.99200	1.7
73.02824	1.1
79.06165	0.5
83.01270	1.0
83.04906	1.6
85.02812	3.0
87.00748	1.2
89.01762	1.1
89.02319	22.8
91.44267	0.5
93.03339	0.7
93.19197	0.5
95.01299	0.9
96.95877	5.5
101.02317	8.1
108.02053	0.8
108.36619	0.7
113.02325	6.9
119.03395	8.9
123.04400	2.9
131.03381	1.0
143.03419	2.1
146.03668	1.2
149.04475	0.8
161.04504	3.4
161.06003	1.2
163.11302	0.6
179.05540	8.9
191.05727	0.8
195.04846	4.3
205.12354	1.5
209.11766	10.7
221.08223	0.5
223.13159	0.6
253.09309	1.5
283.06329	0.7
359.10223	4.2
385.18430	0.7
401.11322	2.2
445.10800	2.1
445.21109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52867	0.3
55.01755	0.5
57.03320	1.4
58.00467	1.3
58.88971	0.3
59.01251	100.0
60.01592	1.0
61.98705	0.4
63.14162	0.3
69.03341	0.8
69.72572	0.5
69.72980	1.6
71.01255	17.3
72.47644	0.3
72.99169	2.0
73.02823	1.3
73.03950	0.4
83.01244	2.1
83.04926	0.7
85.02821	3.0
85.03251	0.4
87.00768	0.5
89.02317	24.9
90.02660	0.6
93.03333	0.6
95.01279	1.3
95.38580	0.3
96.95889	2.7
97.06481	1.0
99.00796	0.4
101.02321	18.7
102.02692	0.4
108.02064	1.1
113.02322	7.2
113.03053	0.4
119.03389	12.2
121.06499	0.8
125.02322	0.6
131.03461	0.8
135.08095	0.4
137.09601	0.5
139.07594	0.4
143.03413	1.7
149.04491	1.0
152.03506	0.8
161.04456	4.0
163.11197	0.8
165.09154	1.3
179.05521	8.8
179.10725	0.6
180.05846	0.4
187.11293	0.7
191.05577	0.5
196.54716	0.3
205.12367	1.1
209.11778	6.2
222.66852	0.3
223.13347	9.4
224.13701	0.8
229.12363	0.8
235.13374	2.6
237.14864	2.2
247.13387	1.8
253.09244	0.7
265.14404	5.2
265.16815	0.4
307.15488	0.6
359.10303	0.7
401.11868	0.4
445.21213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08347	1.2
56.56093	1.3
57.03324	1.5
59.01250	100.0
60.01581	2.5
61.98693	2.8
69.03320	2.2
69.66672	5.5
69.67081	2.4
71.01248	13.9
72.99164	2.3
73.02829	2.2
78.95790	2.7
79.95628	2.2
85.02825	3.4
87.00748	2.7
89.02310	16.4
93.93777	1.1
95.01302	1.4
96.95901	8.6
96.96846	3.7
98.64015	1.1
101.02312	9.3
102.98466	2.8
108.02110	1.2
113.02329	7.2
119.03386	6.8
130.08662	1.4
138.01878	9.1
149.74622	1.2
153.01840	1.8
161.04451	4.1
165.09103	1.2
179.03462	1.3
179.05519	2.5
179.10623	2.5
191.05505	2.9
205.12282	7.4
209.11720	4.0
245.73264	1.4
262.67886	1.6
283.04980	2.2
385.13672	1.3
385.18619	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96362	0.4
55.01751	0.3
56.61840	0.3
57.03321	0.5
58.00467	1.1
59.01251	100.0
60.01590	1.3
61.98714	0.5
66.35616	0.3
70.11050	1.1
71.01254	23.8
72.99195	1.0
73.02834	1.4
83.01266	1.0
85.02831	4.3
87.00751	1.5
89.02319	30.6
90.02661	0.4
95.01286	1.4
96.95914	0.7
97.02794	0.8
99.00777	0.6
101.02322	12.3
113.02334	9.5
114.02626	0.4
119.03391	12.7
123.08009	0.4
129.58441	0.3
131.03404	1.5
138.06787	1.4
139.07574	0.6
143.03397	2.8
145.76910	0.3
149.04472	1.0
151.07544	2.0
152.08345	2.9
153.09122	8.3
153.10284	0.6
154.09547	0.8
159.02943	0.5
161.04480	6.9
168.28136	0.4
179.05536	13.3
205.12274	3.5
205.13869	0.4
209.11850	0.7
223.13322	4.1
359.10239	0.5
367.06171	0.3
385.18634	5.6
386.19061	0.6
403.19882	0.4
445.21045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12337	4.5
53.27988	4.4
54.21009	4.4
59.01229	8.0
59.72953	3.3
59.86740	4.1
63.02263	12.1
63.78811	3.7
65.00182	16.4
69.43574	38.3
79.95602	85.7
83.01251	16.6
89.09155	3.9
91.01761	4.6
92.88973	3.8
92.95848	4.1
95.01244	6.0
95.95113	10.2
96.95888	100.0
98.20531	9.0
103.12532	4.1
107.01280	36.5
108.02084	4.4
109.02816	6.0
113.02264	4.3
117.03338	6.1
123.00762	8.0
123.04367	6.6
124.01559	6.3
124.50291	4.6
125.02363	6.0
133.02873	4.6
135.00769	15.7
137.02368	10.6
139.00272	8.0
143.04898	5.5
151.00244	68.6
152.01010	19.8
159.04425	5.4
161.02347	5.8
163.00316	7.5
164.01074	13.3
174.83464	4.7
175.03885	6.0
178.99791	36.8
179.03377	4.4
187.03885	8.0
189.02022	4.3
191.03300	5.5
192.00496	4.9
193.01326	12.5
195.39909	4.6
199.03876	7.0
203.03386	17.9
215.03403	13.0
217.01411	9.9
231.02852	8.6
243.02902	23.2
244.03622	5.5
247.02501	6.3
255.03032	12.1
259.02502	21.0
269.04544	28.8
271.02429	26.3
272.03168	7.4
275.05707	5.3
285.04086	5.7
287.01981	30.8
299.02090	9.2
300.02829	20.5
301.03546	4.8
304.05753	10.1
315.01404	15.6
315.04996	19.8
316.02200	16.9
331.04617	24.8
388.21606	4.9
395.00742	15.9
398.51782	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62004	1.1
55.36483	1.2
59.01255	8.7
59.29144	1.2
60.27899	1.2
62.43255	1.2
63.02262	5.6
65.00195	7.7
65.19604	1.3
71.01254	4.6
73.02839	1.4
79.95607	53.2
83.01267	3.3
83.04887	4.1
88.67879	1.2
89.02314	3.5
95.01258	2.8
95.95102	4.8
96.95889	65.3
97.02824	2.1
99.00747	1.3
101.02303	3.8
107.01276	10.9
108.02065	1.8
109.02841	1.5
109.99911	1.5
111.00777	1.9
112.95399	3.2
113.02341	3.3
116.63969	1.2
123.00760	3.3
123.04390	5.4
124.01544	4.3
125.02335	4.3
131.04918	1.6
133.02774	1.4
135.00763	3.4
137.02328	3.6
137.99443	1.9
139.00269	4.2
141.01830	1.6
143.04889	2.0
151.00278	39.5
152.01086	9.7
153.01837	4.3
159.04448	2.0
161.02303	3.6
161.04480	1.3
163.00224	6.4
163.11131	2.6
164.01070	4.8
165.01721	1.3
165.12817	1.5
167.03412	3.4
168.74733	1.2
169.01308	2.6
171.04385	2.0
173.02328	1.5
175.03929	2.7
177.01808	1.8
178.99763	38.3
180.00258	2.5
184.96536	1.3
187.03876	5.4
193.01344	12.5
195.02911	2.6
199.03929	4.0
201.01945	2.2
203.03450	8.8
204.04155	1.9
208.00067	1.7
209.00871	1.5
209.11766	100.0
210.12105	3.8
215.03328	6.1
217.01381	6.3
219.02887	2.1
227.03455	3.0
229.01340	1.7
231.02884	5.1
232.03635	2.0
233.04333	2.0
243.02928	13.0
244.03619	2.0
245.00885	3.6
245.04521	2.8
247.02394	2.1
247.06075	4.0
249.04091	1.7
253.09273	8.4
255.02864	3.8
259.02444	16.0
260.03094	2.8
261.03998	2.0
269.04465	4.5
271.02466	19.0
272.03137	7.9
273.04041	2.8
274.98801	2.0
275.05548	3.0
287.01993	31.6
287.05212	1.7
288.02371	4.7
289.03513	3.3
298.01184	1.7
299.01999	8.2
300.02716	5.4
301.03479	5.4
303.01950	1.7
303.04971	8.1
304.05869	11.8
305.06131	1.8
314.04160	2.5
315.01404	30.5
315.05072	15.2
316.02148	20.9
317.02893	5.9
319.04510	5.5
329.02969	5.3
330.03787	5.0
331.04568	29.1
332.01419	2.1
332.04953	2.4
333.02576	5.8
347.04031	6.8
348.04733	4.4
365.05032	3.9
395.00809	19.4
396.00818	2.5
396.98764	1.7
411.00244	4.2
445.00690	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14199	0.4
59.01251	16.0
67.43111	0.4
69.51335	2.9
71.01254	2.1
72.99168	0.4
73.02817	1.0
75.08238	0.3
79.95615	5.9
80.96386	2.9
85.02824	1.9
89.02350	0.6
93.67551	0.4
96.87737	0.4
96.95887	100.0
98.19894	0.8
101.02315	2.9
103.00251	7.2
112.79971	0.4
113.02330	0.7
120.95977	0.4
122.97469	0.4
138.96970	0.6
143.03453	0.6
150.96989	0.8
152.98529	0.8
161.04495	0.8
164.98564	2.9
178.00246	0.4
180.98047	2.1
205.12212	1.5
241.00183	4.6
276.52933	0.4
341.09058	1.4
359.10150	93.3
360.10474	7.6
360.14932	0.4
363.50592	0.5
371.50961	0.4
401.11200	35.9
402.11420	2.5
427.09085	0.9
445.10190	18.3
446.10486	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.4
56.65659	1.1
57.03324	2.3
59.01251	40.5
67.54601	1.2
70.54450	3.6
71.01251	28.3
72.99176	1.6
73.02816	7.6
83.01278	4.1
85.02818	13.6
89.02316	14.0
96.95889	6.8
97.02824	2.8
99.00761	4.1
101.02319	25.1
109.02813	1.7
111.00761	4.2
113.02327	8.2
125.02325	1.3
129.01855	1.3
131.03413	9.5
136.90718	1.0
145.79820	1.1
149.04446	3.4
159.02892	1.6
161.04468	4.4
170.86673	1.1
177.99139	1.1
191.05528	2.4
193.43163	1.3
233.06567	1.5
249.13409	31.5
250.13789	1.6
355.08832	1.5
381.17657	100.0
382.17871	11.6
441.10358	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.7
56.36406	1.8
57.03321	3.4
59.01245	35.8
61.98699	7.7
69.63239	1.7
71.01253	34.5
71.52292	2.1
73.02801	12.3
76.74528	1.7
78.95777	2.2
83.01261	6.4
85.02821	18.1
87.00765	3.5
89.02306	3.1
95.01283	2.6
96.95900	8.3
99.00755	6.9
101.02328	36.5
109.02863	2.2
113.02327	13.6
120.57127	1.9
131.08174	5.8
135.04407	4.3
143.03485	2.2
159.02936	4.1
161.04434	11.3
173.10420	2.2
174.34798	1.9
179.03459	3.3
191.05600	2.5
201.87650	1.8
226.67908	1.7
240.40921	1.7
249.13408	100.0
250.13773	6.9
267.07077	2.2
313.25815	2.0
381.17645	59.3
382.18118	4.3
441.14828	2.1
441.28333	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93575	0.5
57.49052	0.5
59.01252	100.0
60.01608	1.0
63.18837	0.6
70.22885	1.3
71.00879	0.4
71.01256	11.8
73.02814	12.5
73.03191	1.0
75.31176	0.6
77.04064	0.6
79.95660	0.7
83.01279	3.0
85.02844	2.5
87.00758	1.2
89.02317	3.2
95.95120	0.8
96.95893	6.9
98.20531	0.7
101.02328	9.5
113.02338	4.5
119.03442	0.6
125.02306	0.6
131.03415	0.7
133.04691	0.6
149.09717	1.1
161.04510	1.4
191.05556	1.5
219.13863	0.9
234.37816	0.6
241.00313	1.8
259.01379	0.9
391.10965	0.7
441.21509	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01742	0.2
55.59898	0.1
57.03316	0.3
58.00471	0.1
59.01249	100.0
60.01574	1.2
69.41134	0.1
69.41511	1.0
71.01250	3.4
72.99180	0.1
73.02827	0.8
80.24943	0.1
83.01251	0.5
85.02813	1.3
89.02316	1.2
95.01283	0.3
96.95872	0.2
97.02862	0.2
99.00774	0.5
101.02325	1.7
113.02339	1.7
119.03435	0.5
159.02829	0.2
161.04430	1.1
168.11266	0.1
175.46915	0.1
179.05609	0.2
191.05565	0.2
231.44884	0.1
302.94724	0.1
399.23962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01588	1.2
61.98703	12.2
62.09782	0.3
69.03355	0.4
69.24188	2.1
69.24614	1.6
71.01251	5.3
72.99191	0.4
73.02811	1.9
77.31091	0.4
79.95631	0.4
83.01276	1.1
85.02817	2.5
87.00774	0.5
89.02315	1.3
93.41322	0.3
94.93148	0.4
95.01229	0.8
96.95889	4.6
98.19649	0.4
99.00732	0.7
101.02325	3.4
101.86429	0.4
113.02326	2.7
119.03396	0.4
125.82240	0.4
127.79442	0.4
161.04492	1.4
191.05566	0.7
203.44139	0.3
381.22891	0.4
397.08612	0.4
399.23911	1.5
441.18362	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	6.7
57.03331	8.5
57.84446	5.5
59.01249	100.0
69.03311	35.9
71.01254	83.5
71.33077	8.9
71.33416	5.5
72.99178	8.1
73.02815	19.5
83.01268	17.7
85.02826	32.1
87.00772	8.7
89.02317	41.7
93.03303	7.0
96.95882	64.2
97.02837	8.7
99.00757	12.6
101.02323	43.9
102.98498	5.2
105.25607	5.2
113.02333	31.8
115.17244	4.8
117.60121	5.0
125.02321	10.3
128.28113	6.2
131.03430	5.6
133.02840	4.9
134.03607	9.8
141.01857	16.9
143.03331	5.3
149.04579	9.7
149.09651	21.3
161.04445	42.5
165.65771	5.6
181.86572	5.8
187.07574	13.3
191.05510	15.8
231.10339	9.4
232.11166	5.0
246.84113	5.8
257.08264	6.0
275.09174	13.0
298.04916	14.5
306.81760	5.6
311.15018	59.6
339.04916	10.3
357.06213	7.9
357.11057	5.3
409.41177	5.3
443.08945	6.0
443.14517	14.0
443.23859	6.1
464.27438	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.1
57.03323	1.5
58.00463	0.5
59.01252	62.2
60.01585	0.6
69.03316	1.7
71.01254	15.7
71.53825	0.6
72.01595	0.3
72.99172	2.4
73.02814	5.2
75.00755	0.8
78.95774	1.4
79.95608	6.2
80.96393	2.4
83.01250	3.1
85.02823	9.4
85.99956	0.5
87.00755	1.0
89.02322	6.6
92.76666	0.4
95.01283	0.7
95.95100	1.7
96.44775	0.4
96.95890	100.0
97.02819	3.5
99.00770	2.9
99.04400	23.7
100.04767	0.7
101.02328	12.5
101.03010	0.6
105.07001	0.6
111.00760	1.2
113.02323	4.4
115.03912	0.7
119.03442	0.4
121.06506	1.1
124.76673	0.3
125.02392	0.6
129.01813	1.8
131.03397	4.1
133.06496	0.6
138.96983	1.2
145.06499	0.9
149.04494	1.9
150.96941	0.5
152.98515	1.5
152.99545	0.9
159.02863	1.4
159.08011	0.6
159.45410	0.4
161.04498	2.7
161.09648	1.3
163.07510	0.4
164.98521	1.0
168.98041	0.8
176.98555	3.3
177.03978	4.5
178.04350	0.5
185.09639	0.9
191.05504	0.9
194.99606	1.3
203.10721	7.3
209.11790	3.3
215.10680	0.4
219.05051	0.4
233.06667	0.8
238.98627	6.8
241.00166	1.3
247.09749	8.0
248.10078	0.8
256.99713	20.8
258.00049	1.0
277.10956	0.5
291.48172	0.4
299.00772	9.8
305.19705	12.3
306.19965	1.0
395.13791	44.3
396.14139	4.1
400.29007	0.4
433.79474	0.4
437.14890	34.2
437.23773	9.5
438.15170	4.1
438.24277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64753	0.1
54.36539	0.2
56.49459	0.1
57.65880	0.2
61.43673	0.2
67.78946	0.1
69.80734	0.9
70.00712	0.2
78.94825	0.3
78.95775	45.8
96.95959	4.1
96.96840	100.0
114.46449	0.2
125.08939	0.2
235.11182	0.2
248.13142	0.2
439.08588	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63341	3.8
59.01251	100.0
67.01704	3.5
69.03328	25.9
69.58094	3.4
69.80615	20.7
71.01254	57.3
72.99178	5.9
73.02817	7.8
78.95781	10.0
85.02822	18.4
87.00736	4.4
87.29996	3.8
89.02319	79.8
93.03329	9.3
96.95887	16.1
96.96847	13.3
99.00747	6.0
99.16499	3.9
101.02322	37.1
113.02271	23.9
116.97415	4.1
119.03364	26.0
131.03386	17.9
135.04417	18.3
137.02321	6.2
145.90756	4.0
149.04471	30.7
161.02327	10.8
161.04483	8.1
179.03410	10.9
179.05528	31.3
179.10698	3.8
185.00826	9.0
191.05539	38.4
247.12027	22.6
370.84460	4.1
379.16074	63.4
380.16248	9.0
409.81320	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.0
57.03322	1.1
58.00457	0.3
59.01250	100.0
60.01581	1.5
60.71471	0.2
61.98734	0.3
67.03473	0.3
69.03336	0.5
70.74395	0.8
71.01255	15.5
72.99194	0.9
73.02814	4.6
78.95762	0.6
79.95609	0.6
83.01250	2.0
85.02824	6.3
87.00742	0.6
89.02323	3.2
93.03318	0.3
95.01282	1.6
96.95885	3.9
97.02846	0.5
97.05970	0.3
97.06446	1.5
98.95465	2.7
98.96350	0.4
99.00771	1.8
101.02324	7.4
102.02708	0.3
113.02328	7.1
119.03412	1.5
122.41897	0.3
125.02347	0.3
131.03470	0.4
135.04466	0.4
136.05228	0.5
143.03435	0.6
159.02919	1.0
161.04471	4.9
191.05547	0.4
205.03499	0.3
221.15498	1.3
235.16943	2.0
253.08624	0.3
277.18082	8.2
277.20978	0.5
278.18546	0.8
379.21225	2.0
397.14011	3.2
397.22220	6.4
398.22711	0.7
439.15109	2.8
439.23254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79485	0.5
58.42484	0.5
59.01251	16.6
61.30576	0.5
61.98698	1.0
62.81401	0.6
63.99994	0.5
65.00201	3.5
69.03302	1.2
69.25515	4.6
71.01239	1.6
74.41678	0.5
79.95604	4.0
80.96407	2.4
83.01273	2.3
89.00202	1.4
93.03318	0.7
96.95894	7.8
107.01284	5.4
110.97469	7.6
112.11344	0.5
120.99575	0.8
123.04326	0.6
126.90416	1.0
133.02890	0.8
135.04401	0.8
136.99059	1.7
149.02373	3.4
150.88670	0.6
151.00282	20.3
164.98558	2.6
169.02913	0.7
171.04471	0.8
174.03264	0.7
177.01906	0.6
178.02631	0.9
178.99777	1.2
179.03419	1.0
182.99632	0.7
185.02425	0.9
190.99883	1.0
191.05498	3.7
197.02428	1.1
198.03242	0.6
201.01888	2.0
211.03853	0.6
213.01978	1.0
217.01295	0.9
225.01869	1.7
226.02415	0.6
227.03610	0.7
241.01375	16.5
242.02013	1.7
243.02931	2.6
257.04501	1.5
258.01651	0.7
260.03320	0.6
269.00928	14.8
270.01678	5.5
271.02521	3.1
272.03204	1.4
273.04077	1.1
285.03937	1.2
286.01364	0.9
297.00394	38.0
298.01056	6.2
299.02032	2.4
301.03546	22.4
302.04016	2.1
314.00592	1.7
315.01431	2.5
329.03021	23.6
330.03397	3.5
331.04529	2.0
332.70557	0.5
345.02283	0.6
355.10727	2.3
361.05646	100.0
362.05997	10.2
440.94833	1.0
441.08667	1.3
441.14304	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32887	0.7
54.44875	0.7
59.01249	65.0
60.01575	4.8
61.98700	100.0
69.03309	1.4
70.66895	0.9
70.67236	2.3
71.01247	4.1
73.02825	1.0
73.99984	0.8
78.95772	0.8
79.95593	0.9
83.64455	0.8
85.02818	2.1
87.00701	1.1
89.02319	1.9
93.03341	2.8
96.95887	7.2
101.02338	2.6
104.35145	0.8
107.04929	0.8
109.02823	3.9
109.51096	0.7
111.19376	0.7
113.02337	2.1
122.05975	0.9
137.02310	3.6
141.01860	0.9
152.99483	1.6
153.01831	6.6
161.02380	1.0
173.04482	1.5
179.03412	1.3
191.05577	4.8
197.11702	1.0
199.13225	1.4
385.09952	0.8
433.20990	1.4
434.15659	1.3
434.21112	2.8
435.12540	1.3
445.73907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
59.01251	15.1
69.19372	2.6
69.19799	3.5
69.46513	0.6
71.01241	1.7
73.02833	1.0
79.95601	6.4
80.96394	2.7
85.02827	1.8
89.02299	1.0
95.95148	0.6
96.95884	95.9
101.02348	3.0
103.00247	8.6
108.02076	0.6
109.02838	1.7
113.02312	0.9
150.96895	1.3
152.98433	0.9
153.01840	2.9
164.98558	3.1
180.98077	2.6
191.05547	1.5
195.06602	0.7
222.99037	0.6
241.00139	4.2
241.89764	0.5
331.05008	1.5
349.05966	100.0
350.06299	8.4
391.07028	42.0
392.07510	3.7
417.04910	1.7
430.13199	0.6
435.05835	20.2
436.06293	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00458	0.6
59.01250	26.5
60.13165	0.5
71.01266	4.6
73.02813	0.9
80.02533	1.0
81.03324	1.8
83.01260	1.6
83.04895	26.6
84.02022	1.9
84.05190	0.6
85.02813	1.4
89.02306	5.4
93.03319	0.6
95.04893	0.9
96.95866	0.6
101.02325	4.8
109.06475	4.4
110.87900	0.6
112.13129	0.5
113.02335	1.9
119.03345	1.0
119.08540	0.7
135.08049	7.6
137.09639	2.3
140.64024	0.6
161.04514	1.4
163.07550	2.3
171.10107	0.8
179.05432	0.5
181.08617	100.0
182.08952	5.7
199.09688	13.2
200.10030	0.6
217.80519	0.6
253.09274	17.4
254.09735	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90832	0.3
53.06519	0.3
55.01772	0.4
58.00473	0.5
59.01252	22.2
69.03309	0.6
71.01254	4.6
71.39530	0.6
71.39877	0.4
72.99161	0.4
73.02813	0.3
80.02538	0.6
81.03337	1.8
83.01254	1.5
83.04896	20.3
84.02041	1.2
84.05219	0.5
85.02834	1.4
85.76298	0.4
87.00749	0.5
87.95476	0.3
89.02316	3.1
89.30906	0.4
95.04909	0.6
96.95883	0.9
99.00780	0.4
101.02325	4.6
109.06491	3.6
113.02312	1.9
119.03394	1.2
119.08490	0.3
135.08064	6.4
137.09642	2.8
153.09161	0.4
157.08606	0.9
161.04483	2.2
163.07574	1.7
179.05588	0.8
181.08621	100.0
182.08966	5.2
199.09698	12.4
200.10068	0.5
212.93535	0.3
223.08174	0.9
235.08223	0.4
249.56770	0.3
253.09259	17.7
254.09752	0.7
255.08916	0.6
262.78357	0.4
423.46588	0.3
454.11484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75559	0.2
55.01757	1.3
57.03320	1.6
58.00467	3.8
59.01251	87.9
60.01582	1.0
69.03325	1.2
69.18365	0.3
69.18758	2.7
71.01253	71.4
72.01588	1.2
72.01955	0.3
72.99182	4.1
73.02820	9.8
75.00750	0.3
79.95609	0.3
81.03328	0.4
83.01267	3.4
83.04860	0.4
85.02828	10.5
85.99976	1.1
87.00750	9.9
89.02317	100.0
90.02665	1.6
95.01259	1.1
96.95892	3.7
97.02801	1.4
98.19804	0.3
99.00767	0.9
101.02323	43.8
101.69720	0.2
102.02646	1.1
111.00769	1.3
113.02328	12.9
115.03899	0.3
119.03390	6.8
119.61160	0.2
125.02338	2.5
125.17697	0.3
127.38972	0.2
129.01842	0.3
131.03397	44.8
132.03773	1.3
132.04582	0.3
135.04335	0.4
143.03412	0.8
149.04459	60.1
150.04810	1.7
159.39172	0.3
161.04510	1.1
164.98734	0.3
177.01863	0.6
177.40062	0.2
179.05569	1.3
181.08691	0.2
191.05537	23.1
192.05933	0.8
195.19550	0.2
233.06517	0.4
241.00182	0.3
251.07669	0.3
303.18134	0.9
315.62305	0.2
349.10678	0.3
370.11032	0.6
393.12173	0.9
435.13062	0.8
435.22290	4.2
436.22717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41933	0.3
55.01752	1.4
56.99686	0.3
57.03319	1.7
58.00473	3.9
59.01251	85.7
60.01581	1.0
61.98712	0.5
69.03332	1.3
70.53467	0.3
71.01253	81.8
71.53503	0.4
72.01568	1.6
72.99177	5.1
73.02821	8.8
75.00768	0.4
79.95602	1.4
80.96390	0.3
81.03315	0.3
83.01253	3.3
85.02821	14.5
86.03154	0.3
87.00756	4.2
89.02317	100.0
90.02655	1.8
93.03317	0.4
95.01262	1.9
96.95886	5.6
97.02812	1.1
98.95477	0.3
99.00775	2.4
101.02322	38.4
102.02654	0.8
113.02331	21.3
114.02684	0.6
118.95007	0.3
119.03387	19.1
121.12530	0.3
124.07025	0.3
125.02314	2.4
126.43365	0.3
131.03398	20.6
132.03709	0.6
133.01286	0.4
133.02859	0.3
137.09453	0.3
143.03398	4.3
149.04462	33.1
150.04762	1.1
152.99532	0.4
161.04486	3.8
173.04378	0.4
177.01724	0.4
179.05533	8.5
179.31094	0.3
181.08615	0.3
191.05550	9.9
192.05818	0.6
231.79326	0.3
303.18015	1.1
349.61099	0.3
370.11014	0.4
392.14157	0.8
393.11691	1.1
413.14886	0.5
435.13275	1.5
435.22324	2.0
436.22299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33917	0.4
59.01250	100.0
60.01588	1.3
62.27909	0.4
67.15836	0.4
69.03336	0.6
71.01256	4.7
71.52300	0.4
72.99178	0.5
73.02811	1.5
73.73734	0.4
75.32133	0.5
78.91897	0.5
78.95808	0.6
83.01267	1.0
83.34119	0.5
84.19098	0.4
85.02839	1.2
89.02309	2.7
93.03358	0.5
96.56725	0.4
96.95908	1.3
97.02856	0.6
101.02315	3.2
113.02315	2.5
119.03444	1.1
119.04919	3.3
125.02341	1.1
143.03465	0.5
145.02853	0.6
149.02342	0.6
151.00310	1.1
161.04517	0.7
163.00266	0.5
165.01811	0.9
177.01762	0.7
180.26689	0.5
191.05611	1.2
193.01369	2.4
248.91077	0.4
271.06168	0.8
313.07162	12.9
314.07709	1.1
327.12283	0.6
343.08322	3.3
433.11435	1.5
433.20850	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57160	1.0
51.63967	0.8
57.03329	0.9
58.00469	1.4
59.01249	100.0
69.03333	1.1
69.62312	5.8
71.01251	11.1
72.99184	1.2
73.02831	1.5
75.00745	2.2
78.92694	0.8
78.95777	1.5
79.95577	2.0
83.01266	1.7
85.02818	4.3
87.00759	1.5
89.02312	6.2
93.03323	2.1
95.01286	1.0
96.95885	10.3
97.02923	0.9
98.19741	0.8
101.02312	6.1
113.02343	3.2
119.03391	3.8
131.03397	0.9
137.09593	1.0
151.00311	1.1
153.09108	1.2
155.10674	2.5
161.04463	2.2
178.99832	1.9
191.05463	5.9
192.05861	1.4
197.11720	1.5
226.02858	1.1
227.03481	1.4
241.00208	1.2
243.02968	2.9
245.58665	0.9
247.97205	1.0
249.30946	0.8
254.02167	1.2
255.02963	5.7
270.99738	1.7
271.02490	16.1
272.03119	1.4
299.01776	1.6
300.02734	19.1
301.03436	13.3
302.03848	0.9
309.45950	1.0
314.04376	1.9
346.58426	1.3
347.08795	1.7
368.09824	1.1
433.07761	11.8
433.16428	1.7
433.24731	1.9
434.07861	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2356
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
57.25290	0.2
65.27117	0.2
78.95773	51.3
95.62760	0.2
96.96841	5.2
98.19765	0.5
150.97913	1.5
152.99486	100.0
153.99820	1.5
171.00540	4.6
211.51273	0.2
279.23325	1.1
280.23355	0.2
292.59464	0.2
426.08917	0.2
433.23587	6.9
434.23743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.5
62.96269	0.3
71.10791	0.4
78.95773	72.5
84.24241	0.2
96.96835	5.8
118.95154	0.2
129.04436	0.2
129.94005	0.2
141.52960	0.2
150.97931	2.0
152.99483	100.0
153.99812	1.5
171.00558	2.8
200.83015	0.2
232.52774	0.2
279.23322	1.1
280.23489	0.3
334.84134	0.2
350.55423	0.2
364.78561	0.2
433.23560	11.0
434.24142	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2443
Annotation	Dictamnoside I
Peak:m/z	Relative Intensity
55.01743	0.6
57.03317	0.8
58.00462	0.9
59.01250	23.3
60.01584	0.4
61.98689	0.4
64.15220	0.4
65.32912	0.3
68.99669	0.4
69.03332	0.8
71.01255	12.9
71.04880	0.8
71.53623	0.6
72.99184	4.6
73.02807	2.2
78.95787	0.5
79.95589	0.5
81.03377	0.4
83.01247	1.5
83.04890	1.3
85.02824	4.5
87.00735	1.0
89.02314	6.7
89.03178	0.4
93.03328	0.9
95.01270	0.9
96.95898	2.1
97.06470	0.5
99.00751	1.0
99.04392	0.8
99.08003	0.4
99.49349	0.3
101.01685	0.7
101.02319	7.4
108.02052	0.6
109.02793	0.4
109.06460	0.7
111.08047	2.0
113.02325	4.1
119.03383	1.7
119.04980	0.4
121.02808	0.8
125.02348	0.9
125.09647	0.4
127.11159	3.0
131.03448	0.3
135.04424	0.6
139.11153	0.7
143.03400	0.5
151.00288	1.7
152.99541	0.6
153.12747	0.9
155.10664	3.5
159.04355	0.8
161.04648	0.7
161.05971	0.6
169.01385	0.8
175.07564	1.0
181.15878	0.4
181.72821	0.4
183.17416	2.7
185.05994	1.3
186.06732	0.4
191.03491	0.4
191.05537	1.8
197.11700	0.8
203.07039	0.8
227.16473	48.2
228.16866	3.2
229.04945	0.6
230.06064	0.4
253.18044	3.5
281.17661	0.5
327.12259	0.8
389.12308	0.4
415.23291	2.1
433.24411	100.0
434.24771	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96162	0.5
53.72827	0.5
54.92004	0.6
55.01751	1.2
57.03319	2.5
58.00468	3.0
59.01251	100.0
60.01583	1.1
65.00195	0.7
69.03351	0.7
71.01254	52.8
71.04879	0.6
71.53555	0.6
72.01603	1.0
72.99178	4.6
73.02824	6.1
74.90314	0.5
77.79176	0.5
81.03335	0.8
82.43157	0.5
83.01264	4.5
85.02819	15.1
86.03171	0.5
87.00742	3.0
87.04408	1.9
89.02317	43.2
90.02649	1.0
93.03323	3.0
95.01254	3.4
96.95899	2.2
97.02830	0.7
97.74771	0.6
99.00748	2.8
99.04420	1.4
101.02323	34.9
107.01266	2.2
113.02331	22.9
114.02644	0.6
119.03394	20.2
119.04849	4.8
121.02887	0.6
125.02342	1.6
131.03429	2.0
135.04544	0.7
143.03426	3.7
149.04491	1.6
151.00262	8.0
152.99532	0.8
159.02913	1.6
161.04471	11.6
169.01384	0.9
173.04434	0.8
177.01857	1.5
179.05534	9.9
179.06981	1.0
191.05536	8.3
196.00104	0.6
197.08315	0.7
197.11803	1.7
209.11890	0.6
211.95404	0.6
254.07820	0.7
259.09811	1.0
271.06116	16.4
271.19135	6.1
272.06473	2.0
272.19519	0.9
313.43839	0.6
333.18890	0.6
373.22409	1.6
387.23080	0.6
391.23483	1.0
433.11374	2.9
433.15994	1.6
433.24548	19.4
433.30023	1.1
434.12140	0.9
434.25015	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.0185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23180	1.3
59.01253	53.5
60.01579	2.7
65.00182	1.4
68.28465	1.7
69.26615	7.9
69.27055	5.3
71.01257	10.3
74.10474	1.5
79.95611	2.3
83.01263	1.9
85.02829	3.3
89.02303	7.0
92.49635	1.3
95.55886	1.3
96.27895	1.2
96.95891	24.0
98.09081	1.5
101.02319	4.8
107.01263	2.5
113.02331	3.2
119.03412	2.8
141.64655	1.3
147.03134	2.0
151.00275	15.4
161.04488	2.8
178.99788	4.3
179.15948	1.6
179.70767	1.5
191.05586	2.7
199.03918	4.5
209.96107	1.5
227.03424	7.5
239.03499	2.8
240.04274	2.0
243.02956	10.9
255.02972	12.8
256.03516	3.6
266.04587	5.8
267.02887	2.1
271.02505	21.9
272.02878	3.5
283.02365	2.7
284.03302	6.5
285.03836	2.2
287.05579	1.8
294.04095	12.9
299.01974	58.4
299.05576	12.7
300.02420	5.2
301.03522	21.0
308.05737	1.6
310.03571	5.8
310.06931	1.9
312.02805	1.6
313.03506	3.6
314.04330	97.2
315.04642	13.1
322.03549	3.8
323.04346	48.3
324.04861	11.5
327.05188	5.3
336.05328	2.3
339.03812	16.0
349.06009	5.4
354.06192	100.0
355.06628	14.1
371.86288	1.9
394.00116	3.7
433.24408	3.4
434.01840	11.4
434.24658	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36731	0.4
59.01250	100.0
60.01579	0.8
61.29683	0.3
69.39532	1.8
69.39952	1.3
71.01274	1.1
84.48039	0.3
85.02782	0.4
87.14903	0.3
87.86361	0.4
89.02334	0.6
96.95940	0.5
113.02343	0.6
115.10344	0.4
161.04388	0.4
191.05774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83616	0.2
53.92189	0.2
54.52806	0.2
59.01250	100.0
60.01580	1.1
65.00204	0.3
66.75051	0.2
71.01252	4.7
71.53787	0.3
71.73820	0.2
72.99197	0.5
73.02819	2.3
77.28485	0.2
79.95610	0.5
83.01268	0.8
85.02835	1.2
87.00768	0.5
89.02316	3.2
95.01284	0.4
96.95900	1.3
99.00756	0.3
99.16422	0.3
101.02319	4.0
107.01292	0.6
109.63712	0.2
113.02324	1.9
119.03416	1.0
121.02898	0.3
131.03412	0.4
135.08102	0.6
137.02444	0.2
143.03436	0.5
149.04507	0.3
151.00293	1.4
152.99557	0.3
158.60013	0.2
161.04459	1.3
178.99901	0.4
179.05571	0.5
179.07045	0.6
187.04028	0.3
191.05525	0.7
193.86026	0.3
197.08192	0.3
199.03871	0.4
213.93439	0.2
227.03601	0.7
239.03534	0.3
243.02988	1.7
255.02968	1.6
255.73967	0.2
266.04764	0.5
271.02460	2.1
271.19232	0.3
284.03397	0.4
294.04163	0.9
299.02017	5.5
299.05756	0.9
301.03552	1.2
310.03589	0.4
310.07129	0.2
313.16464	0.4
314.04288	7.9
323.04306	3.1
324.05261	0.4
327.05048	0.3
339.03754	1.3
354.06131	5.6
373.18875	0.8
433.16757	0.3
433.24542	1.0
434.01910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14240	0.4
59.01250	100.0
60.01582	1.3
61.98713	0.7
64.37416	0.5
69.27070	1.6
69.27497	1.8
71.01263	1.4
71.96146	0.4
79.95617	2.0
85.02823	0.5
89.02310	0.9
95.95110	0.5
96.95897	5.7
97.06474	0.5
101.02341	1.0
103.00269	0.4
110.16345	0.4
117.06984	0.7
119.03426	0.4
123.04475	0.7
128.31731	0.4
133.06467	0.7
135.08051	2.0
153.09155	0.9
161.04491	0.4
179.07077	3.3
191.05602	1.1
197.08128	3.1
220.18242	0.5
241.00262	0.7
253.09402	1.1
256.99625	0.6
299.00735	0.6
433.06674	0.7
433.16705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.22
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
59.01243	0.7
59.62149	0.2
70.73567	0.5
70.73909	0.2
78.95774	54.5
89.02362	0.2
96.96837	6.1
144.40979	0.2
150.97931	2.0
152.99484	100.0
153.99797	1.2
155.14970	0.2
171.00554	4.4
277.21695	0.8
324.01132	0.2
431.22003	5.1
432.22427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.3
70.82673	0.9
78.95775	71.6
96.96836	5.3
99.67098	0.3
150.97923	1.3
152.99493	100.0
153.99841	2.3
171.00522	3.5
180.37759	0.3
236.64145	0.3
277.21790	1.1
431.21997	10.2
431.27887	0.6
432.22385	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52017	0.5
55.01738	0.5
56.49303	0.4
57.03322	1.0
57.11767	0.4
59.01252	100.0
60.01596	0.8
61.98701	1.5
69.03329	3.5
71.01254	11.0
71.52969	0.9
72.99191	0.5
73.02821	3.9
76.24439	0.4
83.01272	1.8
85.02825	4.9
87.00772	1.5
88.64495	0.4
88.98695	1.2
89.02321	4.1
93.03334	0.8
95.01275	0.8
96.95907	3.8
97.02808	0.6
99.00779	1.4
101.02320	9.7
102.02685	0.5
113.02331	5.1
119.03419	1.4
121.06511	0.5
128.03409	0.7
130.08672	0.4
141.01732	0.4
143.03427	0.5
143.04564	0.5
149.09610	0.7
150.65039	0.4
151.11223	1.3
159.02910	1.3
159.04216	0.5
161.04463	6.7
167.10635	0.5
177.09126	2.8
181.06918	0.5
187.07686	0.6
191.05615	1.9
195.10207	14.8
196.10622	1.2
199.07608	0.4
203.01958	1.2
209.15561	1.1
241.11877	0.5
253.09335	3.0
254.09685	0.5
257.07962	0.5
345.10889	0.5
346.08493	0.8
367.09329	0.5
371.20734	15.6
372.21213	1.4
389.21353	0.5
431.09650	0.7
431.23157	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.114
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
54.37490	0.6
55.01774	0.7
57.03313	1.3
58.14249	0.7
59.01252	35.5
61.46085	0.6
61.98726	0.6
63.02262	2.5
65.00192	5.9
69.03322	2.3
70.28008	2.1
71.01258	10.3
72.99173	2.1
73.02818	2.2
79.95610	1.2
83.01263	5.6
83.11766	0.6
85.02823	3.8
87.00762	2.1
89.02320	9.7
93.03338	8.3
95.01267	1.1
96.95891	2.3
97.02843	0.9
99.00778	0.8
101.02322	5.7
107.01275	11.7
113.02334	9.6
119.03401	3.4
119.04921	35.9
120.05238	0.9
121.02843	0.9
125.02343	1.5
129.01846	0.8
131.01268	0.8
135.04367	0.9
137.09625	1.5
139.19574	0.7
145.02853	0.9
151.00281	41.7
152.00684	1.4
152.99561	0.8
155.10696	7.4
161.04468	2.2
164.01042	0.7
165.01848	2.1
169.01370	1.9
173.04410	0.7
175.00249	1.6
177.01892	4.6
179.05620	0.8
187.03989	0.7
191.03947	1.0
191.05530	10.0
193.01407	0.7
197.11748	2.8
199.09727	3.2
216.83846	0.6
241.10693	0.6
243.02843	1.1
253.05154	0.6
253.14499	0.8
259.09879	1.4
265.12448	0.7
271.06122	100.0
272.06436	9.5
272.75281	0.6
275.09308	1.1
295.06137	1.0
313.07010	1.8
314.04349	2.6
319.17651	1.7
354.06158	1.4
433.11459	0.8
433.16556	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95248	0.5
59.01252	100.0
60.01583	1.6
63.90323	0.6
69.03314	0.6
71.01247	1.7
73.02839	1.1
75.00748	4.5
79.95607	2.8
80.96423	0.9
85.02847	0.6
87.00767	0.6
89.02354	0.9
96.95891	53.3
100.62458	0.6
101.02338	1.7
113.02348	1.4
117.34777	0.6
134.03645	0.7
134.97507	0.8
136.25793	0.6
138.96976	1.3
149.09673	2.1
152.98569	1.1
161.04430	0.7
164.98598	0.9
179.07111	0.8
191.05602	0.8
241.00206	6.5
255.08788	0.6
283.01495	2.2
391.10623	15.5
391.15237	0.8
392.11206	1.6
407.54132	0.7
412.49155	0.7
433.11737	14.0
434.12247	1.9
453.79416	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21024	0.7
57.03307	1.3
58.00472	1.2
58.59221	0.8
59.01250	100.0
60.01579	1.4
61.01651	0.7
71.01250	22.2
71.53183	0.9
72.99174	3.2
73.02828	3.7
75.00727	0.8
79.00037	1.0
79.95590	3.0
80.96392	1.1
83.01245	1.9
85.02825	5.2
87.00748	2.6
88.98663	1.0
89.02312	21.2
92.24326	0.7
93.03329	2.8
95.01285	1.5
96.95891	7.6
97.02844	0.8
97.06445	1.6
98.95461	1.4
99.00759	1.3
99.04385	12.6
101.01697	1.3
101.02322	13.6
103.48763	0.7
111.04346	0.8
113.02316	8.9
119.03373	7.6
128.03462	1.0
149.09586	2.6
161.04466	1.9
164.98558	1.0
177.09207	1.0
179.05548	1.8
189.12775	1.9
191.05615	4.0
195.10208	9.4
207.13835	12.2
227.03450	1.7
227.07094	9.3
228.07263	1.2
251.12856	64.2
252.13142	3.5
253.09119	1.6
255.02928	3.1
256.03287	0.9
284.03278	2.9
285.04044	5.7
286.04385	1.1
345.10495	2.1
371.21024	1.4
387.11404	1.1
389.21722	1.3
431.09628	3.4
431.14087	1.5
431.18732	12.2
432.19431	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.8
57.58300	0.5
59.01250	73.9
60.01585	0.9
61.98708	0.9
69.03329	2.0
71.01247	4.9
71.45415	0.8
72.99178	1.2
73.02833	1.2
79.95613	9.9
80.96390	3.2
84.81348	0.5
85.02828	2.5
87.00767	1.1
89.02332	2.5
93.03324	1.3
95.95090	0.5
96.95883	16.1
97.02859	0.7
99.00697	0.7
101.02309	4.1
113.02331	1.2
114.21375	0.5
119.03407	1.8
122.06035	0.8
133.06491	0.8
135.46651	0.5
139.86954	0.5
149.09621	100.0
150.09956	6.1
151.11099	0.7
152.98515	1.1
161.04451	1.1
164.98537	2.3
173.04482	0.7
177.09117	1.3
180.98003	0.7
191.05553	2.0
195.10184	5.0
203.01912	0.6
227.03427	1.3
253.09450	1.0
255.03012	1.7
274.36560	0.6
284.03192	1.5
327.04907	1.2
394.14578	2.2
394.64566	0.7
410.15640	1.4
416.16486	0.6
431.13895	15.6
432.14099	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90402	0.4
59.01252	100.0
60.01593	1.1
69.31297	0.5
69.54842	0.4
71.01257	6.2
71.52927	0.7
72.99171	0.7
73.02817	2.5
77.03841	1.2
79.01766	0.6
83.01260	0.8
85.02843	1.8
87.00761	0.9
88.98689	1.3
89.02315	3.9
93.03339	1.1
95.01231	0.6
96.95872	2.7
99.00796	0.5
101.02321	3.7
113.02316	2.1
117.03374	5.8
119.03404	0.8
119.04895	0.5
121.02864	0.7
122.10297	0.6
135.04440	1.7
148.60927	0.4
149.02335	1.1
149.09625	12.1
150.09979	0.6
159.04457	1.5
161.02385	2.7
161.04462	1.1
163.00284	0.5
163.03876	2.2
165.01808	0.8
183.04352	0.6
183.14197	0.5
185.41017	0.4
191.03516	0.8
191.05534	1.4
193.01234	0.6
196.05141	0.5
197.06178	0.5
220.96133	0.5
225.05521	0.6
227.02866	0.5
268.03543	1.0
269.01938	0.4
269.04498	2.9
281.04605	3.7
282.05264	2.2
283.06140	27.3
284.06500	2.7
293.04608	1.0
295.06186	1.6
311.05606	49.8
312.06006	5.4
323.05673	3.8
341.06656	10.0
342.07089	1.4
353.06586	1.3
371.20743	0.9
389.21863	1.0
413.08289	0.7
431.09793	24.6
431.14673	1.1
432.10065	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51089	0.4
59.01249	100.0
60.01580	1.2
70.52052	1.4
75.70564	0.5
78.95784	1.8
80.19713	0.5
85.06503	0.4
89.02307	0.6
91.03865	2.9
122.87809	0.6
123.67803	0.5
147.19504	0.5
152.99469	3.1
195.13870	1.5
277.21777	0.8
294.23941	0.5
295.22751	14.9
295.25964	0.9
296.23276	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01582	1.3
78.72257	0.5
78.95773	4.3
91.03894	1.2
98.20612	2.1
131.19075	0.6
152.99492	8.0
186.03505	0.7
195.13721	1.0
229.96336	0.7
277.21622	0.8
295.22784	9.8
296.22946	1.1
297.37051	0.6
332.16492	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0984
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
50.27989	0.4
51.56205	0.5
59.01252	92.9
60.01597	0.9
67.54922	0.4
71.01255	5.8
72.99180	0.5
73.02826	2.0
77.03834	3.4
79.01773	1.3
79.81259	0.4
79.95592	0.6
83.01271	1.1
85.02843	1.5
87.00797	0.5
88.98671	0.7
89.02327	3.1
93.03329	3.7
95.01260	0.6
96.95901	1.8
97.02836	0.8
101.02319	3.8
105.03331	1.2
107.01298	0.7
109.02885	0.5
113.02353	2.4
114.52705	0.5
117.03349	12.5
118.03722	0.8
119.03404	0.6
119.04906	0.8
121.02856	3.4
131.03386	0.5
131.04898	0.5
133.02875	0.7
135.04416	3.2
137.02377	0.9
145.02847	0.5
149.02365	1.8
149.09627	11.1
151.00243	0.8
154.70912	0.5
159.04408	3.0
161.02364	5.6
161.04457	1.0
163.00285	1.2
163.03908	3.9
165.01881	1.6
169.06503	0.6
173.13824	0.5
175.00308	0.5
175.03888	0.7
182.03581	0.6
183.04471	1.1
183.08261	0.7
191.03400	1.7
191.05489	1.4
193.06531	0.7
196.05251	0.9
197.06029	1.2
203.03407	0.8
211.07518	1.1
213.05518	0.5
222.96524	0.4
224.04730	0.9
225.05634	1.0
238.10339	0.4
239.07117	1.7
243.06544	0.7
253.04987	1.3
254.05811	0.8
255.06287	0.5
268.03717	2.8
269.04565	5.7
270.04813	0.7
281.04568	7.1
282.05328	4.8
283.06110	66.9
284.06436	5.6
293.04538	2.5
295.06143	4.2
309.03979	1.3
311.05603	100.0
312.05927	9.4
314.04474	1.2
323.05627	8.6
324.05795	0.6
341.06668	19.4
342.07037	1.7
353.06705	2.0
371.20776	0.6
389.21863	1.0
413.08746	1.4
431.09836	48.7
432.10101	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.6
59.01250	100.0
60.01591	1.2
68.67177	0.8
69.03336	1.4
69.32650	6.3
71.01251	14.1
71.01613	1.0
72.99195	1.2
73.02814	1.3
78.95804	1.0
79.95628	3.2
80.96394	1.3
83.01290	1.2
85.02841	3.2
87.00755	3.6
89.02314	14.5
93.03332	1.3
95.01276	1.6
96.00814	0.7
96.95884	44.3
98.95481	1.4
99.00774	1.1
99.04401	1.3
101.02322	7.4
103.00256	3.2
107.01229	1.2
109.02814	1.3
111.00807	0.8
113.02309	3.7
119.03391	3.7
123.00751	1.2
124.22231	0.8
125.02326	0.8
132.18414	0.7
135.04385	1.1
141.01878	0.7
143.03481	1.0
151.00287	2.5
161.04469	1.8
161.09650	2.5
161.13278	1.5
163.11232	0.9
165.13170	0.7
167.03447	2.1
178.99834	1.4
179.05534	2.8
180.98068	1.3
187.04051	0.9
187.11235	3.9
189.09117	0.8
191.05611	3.4
194.02090	0.8
195.02907	14.0
196.05075	0.8
203.10732	1.2
205.12373	1.7
209.04559	1.4
210.05272	14.8
211.05652	1.3
219.20412	0.8
223.13364	14.1
224.05119	0.8
225.07640	25.9
226.08041	1.7
241.00261	1.7
249.11302	2.2
267.12357	9.9
268.12637	1.1
271.02670	0.7
285.04193	1.0
299.01996	2.4
309.13547	1.2
317.02982	1.2
319.89227	0.8
325.09909	1.2
331.04617	3.1
339.14603	1.9
343.10687	38.3
344.10867	3.7
347.04126	0.9
349.01416	0.9
349.05640	2.2
368.53894	0.9
369.15469	6.5
385.11765	15.2
386.12234	2.5
429.10770	9.9
429.17331	2.2
430.10406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
55.01761	1.0
57.03331	1.8
58.00476	0.8
59.01253	100.0
60.01594	1.4
65.00217	0.6
66.84019	0.4
69.03352	0.6
69.86820	0.4
71.01257	21.9
71.53252	0.5
72.99186	1.1
73.02824	6.6
79.95632	1.6
83.01263	3.5
83.95338	0.4
85.02823	8.6
87.00767	2.6
89.02319	10.1
89.02837	0.8
93.03329	0.4
95.01272	1.8
96.95892	4.6
97.02846	1.2
98.02350	0.5
98.95435	0.5
99.00751	2.0
100.15504	0.4
101.02327	14.0
107.01308	0.8
111.00782	0.5
111.04451	0.7
113.02331	9.4
119.03394	3.4
125.02390	1.5
130.08644	0.8
131.03482	0.6
137.09651	1.7
143.03444	1.6
144.11475	0.4
149.04425	0.6
149.06036	1.1
151.00331	1.9
151.07597	1.4
152.08354	1.3
159.02928	0.5
161.04460	2.6
164.08339	5.9
165.09154	0.9
177.12900	0.6
178.99803	0.5
179.07132	0.9
191.05603	2.0
191.14398	0.4
195.13817	1.0
197.15497	0.9
205.12392	0.5
207.13870	1.2
221.11119	0.4
225.14919	9.4
226.15359	0.6
251.12494	0.5
347.51855	1.3
369.19199	23.5
370.19397	3.2
387.20239	41.4
388.20557	4.2
388.56668	1.2
389.06284	0.6
429.14676	2.2
429.21564	10.5
430.21710	1.9
434.06125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	16.5
61.19989	0.6
69.29631	6.0
71.01244	1.3
73.02821	1.0
79.17245	0.6
79.95612	5.1
80.96389	3.3
83.01294	0.5
85.02815	0.8
94.04459	0.6
95.95160	0.7
96.95889	99.2
101.02341	2.9
103.00243	8.5
111.91216	0.6
113.02330	0.8
121.43695	0.5
150.97032	1.0
152.98563	0.9
164.98534	3.1
167.03410	1.7
180.98090	2.2
185.31691	0.6
191.05490	0.7
195.02985	5.4
210.05278	3.6
225.07654	7.2
226.24579	0.7
241.00195	3.0
325.09738	2.3
343.10654	100.0
344.10959	7.0
385.11740	36.1
386.12189	3.1
411.09671	1.3
429.10565	19.9
430.10995	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77690	0.4
59.01247	6.5
59.43172	0.3
61.98688	0.5
65.00194	1.1
71.01242	0.9
73.02822	0.6
83.01237	1.0
85.02818	0.8
87.00746	0.6
89.02341	0.6
92.71272	0.4
93.03332	0.6
96.95887	3.9
107.01269	0.7
109.02846	3.0
120.98679	0.7
120.99542	14.0
125.02290	1.5
132.02077	1.3
133.02803	4.4
134.03603	0.4
137.02385	0.6
147.04437	1.0
151.00255	2.4
153.01831	1.8
161.02365	0.4
163.00261	1.4
169.01366	0.6
172.38884	0.4
173.02295	1.0
175.00287	1.9
175.03831	0.5
177.01868	1.5
188.04649	0.6
189.02000	0.6
191.05533	0.8
196.73032	0.5
201.01978	0.5
203.07068	0.8
225.05484	0.7
236.04745	0.5
237.05522	0.5
239.03435	0.9
241.00301	0.9
253.05031	1.9
254.05580	0.5
255.02986	0.8
259.09634	0.4
265.05029	1.6
267.02985	1.9
268.03671	1.3
269.04413	0.7
276.09927	0.5
281.04562	2.7
282.05319	6.7
283.05847	0.8
284.03287	2.6
285.04013	0.8
293.04605	0.5
296.03436	1.9
297.04068	8.4
298.04761	7.1
299.05615	2.5
300.02414	0.4
300.05661	0.5
306.05350	0.6
307.06073	1.2
308.03247	1.4
309.04041	86.2
310.04739	39.1
310.08578	0.8
311.05426	9.3
312.06235	3.9
322.04843	1.2
323.01868	0.7
323.05478	4.3
324.06259	1.5
325.07162	51.7
326.07574	5.4
335.05597	1.6
337.06982	1.1
339.08594	4.3
340.09094	0.7
344.05316	0.6
352.06000	0.7
355.08212	3.5
367.08215	37.0
368.08569	3.8
378.07458	0.7
385.09262	5.8
386.09863	0.4
393.09778	1.2
396.08401	2.0
411.10815	4.6
429.11893	100.0
430.12222	14.0
430.17072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94481	0.2
50.94736	0.2
59.01251	0.4
61.66544	0.2
67.87382	0.2
70.00424	0.9
91.55434	0.2
96.36699	0.2
99.92455	5.0
100.92567	0.3
100.93237	3.2
101.93362	0.2
113.92488	0.2
115.91960	100.0
116.91968	5.9
116.92747	5.9
117.92403	0.2
127.03927	0.2
132.92244	1.0
144.62923	0.2
172.95384	4.8
173.95433	0.4
224.14026	0.2
255.23311	0.7
355.15903	0.7
371.15222	0.4
381.17368	0.8
429.19498	3.5
430.19803	0.7
430.67868	0.2
431.91074	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00444	0.6
59.01251	100.0
60.01586	1.6
63.21921	0.5
64.75683	0.5
65.00208	1.3
69.53028	3.2
71.01256	12.2
72.73521	0.5
72.99210	0.7
73.02828	1.5
79.39201	0.5
79.95616	1.2
82.60368	0.5
83.01274	1.8
85.02835	1.8
87.00787	0.8
89.01764	0.7
89.02314	13.3
93.03362	0.8
95.01292	0.6
96.95892	13.2
98.20529	1.0
99.00740	0.7
99.41303	0.5
101.02322	7.2
107.01275	1.1
109.02863	0.9
113.02343	4.3
119.03389	5.4
120.03719	0.5
123.00800	1.5
123.04419	0.5
123.88982	0.5
124.01627	0.8
124.31687	0.6
125.02370	1.7
131.03415	1.0
137.02359	0.7
140.08218	0.5
141.01862	1.5
143.03444	1.0
147.47977	0.5
149.04440	0.7
151.00252	4.3
151.03954	0.6
152.00978	0.5
153.01936	0.7
161.04523	1.6
163.00258	0.8
166.02664	0.6
166.99832	0.7
167.03423	1.8
169.01428	0.6
178.99818	3.4
179.05533	2.3
181.04976	0.5
193.01407	0.9
195.02922	6.4
203.03456	0.7
210.05283	4.1
225.07660	10.4
226.07965	0.6
243.03055	1.8
245.04538	0.6
251.51486	0.5
255.03046	1.2
271.02454	3.2
273.03925	1.3
299.01907	5.3
300.02792	1.3
301.03503	0.5
303.04880	0.9
305.06436	0.7
314.04575	1.3
316.01974	0.7
317.03104	2.7
331.04568	5.1
332.04984	0.7
343.10550	2.4
347.04236	2.1
349.05405	5.4
356.51682	0.5
369.11740	0.5
387.20084	0.8
429.01428	1.8
429.14252	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09569	1.1
57.03324	100.0
58.03646	1.6
59.01252	89.2
69.03306	4.4
69.37510	5.5
69.37925	4.2
71.01256	30.2
72.99177	1.8
73.02820	20.0
78.95773	2.2
79.05392	1.4
79.95603	2.5
81.03336	3.3
83.01270	8.5
83.04938	1.4
85.02830	5.8
87.00755	2.5
89.02314	20.0
93.03315	1.9
95.01263	2.5
96.95887	15.4
97.02828	2.6
97.06459	1.9
98.19781	2.1
99.00788	2.5
99.04396	71.1
100.04751	1.7
101.02324	42.0
102.02628	1.5
113.02332	14.3
113.05934	2.2
119.03373	5.4
119.63654	1.2
123.04402	9.7
125.02338	23.2
126.02620	1.4
131.03381	2.6
131.73729	1.3
141.05475	2.8
143.03418	4.3
149.04485	2.9
151.00221	1.4
153.09180	1.5
161.04440	4.7
179.05482	4.4
179.10594	1.3
183.06497	1.4
191.05542	4.3
199.13449	1.9
205.12273	2.8
223.13422	2.7
241.00130	1.2
290.10315	1.3
427.12360	3.6
428.26062	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
50.00549	0.6
53.28320	0.6
53.64054	0.6
54.12711	0.5
57.03308	1.0
58.00476	0.7
59.01250	100.0
60.01603	1.5
61.98706	1.7
65.35361	0.5
69.03317	0.7
69.38057	2.9
69.38476	1.6
71.01254	21.4
72.99191	1.1
73.02818	11.9
77.00298	0.7
78.95776	0.7
79.95619	0.6
81.03302	0.5
83.01254	3.9
85.02808	5.0
87.00776	1.1
89.02309	3.9
95.01286	1.5
95.04887	0.8
96.95891	8.4
97.02828	2.9
99.00788	1.2
101.02318	12.9
108.05733	0.7
108.96889	0.6
109.06512	0.9
111.04411	0.8
113.02337	9.2
113.05999	1.6
119.03429	1.6
123.08061	1.7
125.02309	1.0
125.05973	1.6
131.03424	0.9
135.07994	0.5
136.05214	2.1
137.05981	0.6
138.06761	10.4
139.07567	3.2
141.86418	0.5
149.02406	0.7
149.04478	0.8
151.07542	9.3
151.63481	0.5
152.04657	0.8
152.08331	24.0
153.09119	60.0
154.09439	2.7
161.04472	4.5
163.11156	1.3
165.01846	0.9
165.09166	2.1
167.07133	1.0
190.09929	1.4
191.05577	1.1
192.00662	2.2
193.01376	4.7
203.05597	0.8
205.12270	20.9
206.12645	2.1
207.02959	2.4
208.03717	6.9
223.06062	16.9
223.13361	7.9
224.06488	1.0
296.61258	0.6
341.09195	1.6
367.17545	5.5
383.10376	0.9
385.18671	2.8
427.12662	11.0
427.19485	1.3
428.12964	1.8
445.82471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25904	1.3
59.01249	100.0
59.92294	1.5
75.18675	1.3
98.20654	3.0
200.50677	1.4
201.43178	1.4
229.25967	2.5
293.21255	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25904	1.3
59.01249	100.0
59.92294	1.5
75.18675	1.3
98.20654	3.0
200.50677	1.4
201.43178	1.4
229.25967	2.5
293.21255	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.9972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06830	3.3
59.01247	6.1
65.00191	4.1
68.70427	2.9
69.55899	3.2
69.61006	11.3
69.61436	12.1
71.23656	3.0
77.51615	3.5
79.95593	14.0
82.71045	3.7
82.86195	3.2
95.01265	7.0
95.41653	3.5
96.95899	32.7
99.00788	4.1
102.90391	3.2
107.01259	8.1
108.02026	4.5
111.00754	8.8
113.53519	3.2
123.00751	9.3
123.04370	8.6
124.01479	4.9
125.02332	5.4
135.00790	5.2
139.00253	13.6
141.01822	5.6
147.04413	3.9
151.00276	33.0
152.01028	9.3
153.01851	4.7
161.02328	5.8
166.99747	12.9
168.00423	3.7
169.01311	5.1
178.99751	20.2
186.03142	3.9
187.03920	8.5
188.04741	5.3
193.01262	7.9
194.99341	3.4
199.03917	10.5
202.02580	6.2
203.03500	7.5
204.04124	4.8
214.02692	8.5
215.03415	11.9
216.04208	4.5
227.03442	5.4
230.02248	4.5
231.02917	4.9
232.03685	7.4
242.02113	4.6
243.02933	22.6
245.00803	3.9
246.78140	3.7
247.06143	8.8
255.02936	4.8
257.04645	5.3
258.01663	8.6
259.02396	11.8
270.01715	4.7
271.02502	42.4
272.02658	5.9
273.03986	6.9
286.01224	11.2
287.01920	13.7
288.02515	4.0
298.01013	5.1
299.01968	35.0
300.02734	26.6
301.03586	23.1
303.05060	15.1
314.04300	56.5
315.01373	18.7
315.04828	8.2
317.02826	4.4
319.04715	19.5
329.02960	15.8
330.03864	4.8
332.01578	8.0
341.09018	12.2
347.04059	100.0
348.04361	12.2
383.09836	4.5
426.99838	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52439	0.2
55.01769	0.3
57.16209	0.2
59.01254	14.4
61.98696	0.3
65.00191	0.3
69.40173	1.8
70.72270	0.2
71.01250	2.2
73.02823	1.0
79.67711	0.3
79.95173	0.5
79.95611	6.8
80.96384	1.9
83.01263	0.7
85.02821	1.2
87.00755	0.4
89.02348	0.5
93.03323	0.3
95.01273	0.4
96.95889	76.4
97.95840	0.3
101.02312	2.7
103.00252	8.2
103.33479	0.2
107.01263	0.6
113.02315	0.7
121.02860	0.3
124.01560	0.5
125.02328	0.7
138.96942	0.4
150.53970	0.2
150.97003	0.6
151.00275	1.6
152.01045	0.9
152.98521	0.8
161.04451	0.3
164.98575	2.3
167.03291	0.2
178.99776	1.1
180.98048	2.1
196.10373	0.2
205.12395	0.2
222.99112	0.3
225.02045	0.2
241.00182	4.3
247.57921	0.2
254.01999	0.3
261.13385	0.6
269.00992	0.4
271.02573	0.5
283.02020	0.3
290.01440	0.3
297.52634	0.3
307.03528	2.5
323.08069	1.4
341.09088	100.0
342.09430	7.7
347.01270	1.4
383.10165	36.7
384.10471	3.3
388.06171	2.8
409.08005	1.3
418.03461	0.3
427.09018	30.5
428.03827	1.9
428.09485	3.1
433.05527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22269	0.6
50.68533	0.5
51.05828	0.5
56.47049	0.6
59.01252	100.0
60.01596	1.3
61.98698	0.9
65.49015	0.7
71.53299	0.8
78.95799	1.3
96.95891	2.1
96.96874	0.6
117.80477	0.6
171.55945	0.6
203.82603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1663
Annotation	Ainsliaside B
Peak:m/z	Relative Intensity
50.71848	1.0
55.01755	5.1
57.03330	5.1
58.00460	3.8
59.01250	83.3
61.98681	1.0
67.01763	1.7
69.03323	5.4
69.74454	5.6
71.01254	100.0
71.04892	1.9
72.01583	2.2
72.99171	4.1
73.02444	1.6
73.02820	18.6
76.93741	0.9
79.05399	3.2
83.01262	6.7
83.04887	4.1
85.02296	1.1
85.02819	36.6
87.00754	4.8
89.02317	58.3
90.02648	1.6
93.03356	1.0
93.06954	1.4
95.01264	7.7
95.04897	9.1
96.95866	2.0
97.02832	8.7
97.06467	2.1
99.00761	7.8
101.02322	62.6
102.02683	1.0
105.06973	7.4
106.07242	1.1
107.04916	2.4
108.02065	1.3
109.02871	1.5
109.06533	0.9
113.02328	44.2
114.02666	1.4
119.02579	1.9
119.03391	27.7
119.08523	2.3
121.06508	8.0
122.03587	1.1
123.04412	10.4
123.08025	1.9
125.02341	2.4
125.09560	1.5
129.01767	1.3
131.03381	2.7
133.06517	1.4
134.07230	1.9
135.04457	1.1
135.08046	5.2
137.05963	4.4
143.03358	4.5
143.08549	3.7
145.06479	1.9
147.08028	3.6
149.04503	1.6
149.09619	20.2
150.09879	1.6
157.06519	1.5
157.10126	2.3
159.02901	5.3
159.08018	2.0
161.04471	21.4
161.09576	5.3
163.07526	3.4
169.06396	1.0
171.08072	1.2
171.11665	1.0
173.04559	1.1
173.06021	3.9
173.09601	3.9
175.07516	2.3
175.11145	2.2
177.09061	1.5
179.05484	3.2
181.10162	2.6
183.08046	3.2
184.08806	7.1
187.07605	7.4
188.08322	1.8
189.12753	3.6
191.05559	2.2
197.09633	2.3
199.11217	66.0
200.11594	5.1
201.09148	2.6
202.09904	4.1
215.10765	2.0
217.12286	36.1
218.12573	2.3
242.85001	0.9
243.10223	22.7
243.12570	1.8
244.10474	1.3
261.11295	41.2
262.11566	2.7
283.52094	1.1
307.07959	1.0
423.16705	26.4
424.16928	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12129	0.6
70.12523	0.5
78.95776	13.5
86.06783	0.2
95.46185	0.3
104.97353	0.7
110.98415	10.1
137.00038	0.4
152.99493	0.7
167.01059	11.3
168.01433	0.3
185.02132	2.7
231.71132	0.3
255.23265	100.0
256.23611	9.6
263.16772	0.3
319.91852	0.3
375.76904	0.3
423.25195	16.2
424.25409	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0878
Annotation	Sanguinolignan D
Peak:m/z	Relative Intensity
56.27772	0.3
57.03325	12.0
59.01004	0.3
59.01250	4.0
59.28779	0.3
65.00202	0.5
69.39310	0.7
69.39709	2.2
69.71890	0.3
71.01251	4.5
73.02814	3.5
73.78429	0.2
78.95768	0.5
83.01278	0.5
85.02823	3.1
87.00736	0.7
89.02304	0.6
91.73511	0.3
93.03320	0.5
95.01221	0.3
96.95892	3.3
101.02251	0.4
107.01247	0.9
113.02338	3.0
117.03361	0.3
125.02325	0.4
132.02007	1.4
133.02835	10.4
134.03560	1.1
135.00742	0.9
135.04425	1.6
137.02328	0.3
145.02856	0.6
147.04460	0.6
148.01567	0.5
149.02319	0.8
151.00229	1.4
159.00751	1.0
161.02287	0.8
163.00252	3.2
173.02328	1.1
175.00311	2.3
175.03871	0.4
176.01050	1.3
177.01862	5.8
178.02235	0.8
179.03450	1.4
179.57368	0.3
183.04427	0.5
185.02385	0.5
187.00185	0.4
187.03935	0.5
189.01866	1.0
189.05424	0.4
191.05492	1.1
194.16232	0.2
196.05301	0.4
198.02982	0.3
199.03998	0.5
201.01880	4.8
202.99796	14.2
204.00183	0.6
205.01279	0.4
209.05882	0.4
211.03951	1.0
212.04689	1.1
213.05379	0.6
214.02647	0.4
221.05899	0.4
223.03970	0.6
224.04614	0.7
227.03529	0.7
229.01408	0.5
235.03969	0.5
236.04526	0.3
237.05560	0.9
239.03596	1.6
240.04228	2.0
241.00186	0.4
246.15250	0.3
248.04648	0.3
249.05621	0.4
251.03435	2.7
252.04120	0.9
253.05099	0.6
255.02890	0.7
255.06740	0.4
256.03757	2.0
263.03424	1.0
264.04239	0.8
265.05048	2.1
267.02966	2.1
267.05716	0.4
268.03735	4.1
269.04395	0.4
277.05045	0.3
279.02994	4.2
279.06027	0.3
280.03711	2.3
281.04483	2.9
282.05249	0.7
283.02386	1.0
283.05725	0.3
284.03259	27.3
285.03656	2.6
291.02924	0.8
292.03696	0.8
292.06894	0.3
293.04474	2.8
294.05264	0.9
294.10458	0.3
295.02426	1.4
295.05630	0.5
296.03250	11.1
297.03967	3.6
298.04501	0.7
299.05591	32.5
300.05948	3.2
306.05209	1.2
307.02374	0.8
307.05814	0.7
308.03284	10.8
308.06912	0.5
309.04028	44.9
310.04712	16.7
311.05557	19.1
312.05994	2.3
319.02512	0.6
319.06104	0.9
320.03143	1.0
320.06894	1.1
321.04105	1.9
321.07443	0.5
322.04773	2.5
323.01935	0.2
323.05548	7.5
323.09415	0.4
324.02701	0.9
324.06027	0.7
325.07162	32.7
326.07504	3.6
335.01813	0.7
335.05573	2.6
335.09290	0.9
336.02734	25.8
336.06174	1.2
337.03491	36.7
337.07004	1.6
338.04022	5.8
338.08044	0.4
339.05002	2.8
339.08578	0.6
340.05469	0.4
347.05746	0.4
348.06271	1.0
349.03326	0.6
350.04233	2.2
351.05075	78.4
352.05643	16.7
353.06610	5.8
354.06894	0.9
355.07910	0.4
363.08923	1.3
364.05841	2.1
365.06677	3.7
366.07516	1.4
369.09866	0.5
379.08255	1.7
381.06357	0.8
381.09885	10.7
382.10538	1.5
383.07730	2.4
392.05106	0.5
397.09222	2.4
407.07751	4.8
408.07925	0.5
410.06436	1.0
425.08777	100.0
426.09134	15.4
426.13718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.208
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
55.01760	3.2
57.03324	3.4
58.00472	3.9
59.01249	100.0
60.01576	0.9
65.28665	0.5
67.01746	0.6
69.03335	2.4
69.62610	3.3
70.38165	0.6
71.01250	88.9
72.01588	1.2
72.99181	5.9
73.02815	19.5
75.00748	1.2
78.95805	0.7
81.03321	0.9
83.01256	9.6
83.01723	0.9
84.02042	0.8
85.02820	29.9
85.99967	0.6
86.03135	0.7
87.00742	6.9
89.02314	80.6
90.02638	1.1
93.03329	1.2
95.01260	4.7
96.95888	4.5
97.02806	2.6
98.20495	1.1
99.00747	8.5
101.02319	63.6
102.02680	1.7
104.37758	0.5
111.00741	3.4
113.02325	28.8
114.02731	0.6
115.03890	1.2
119.03385	13.2
125.02325	4.7
127.11173	1.2
129.01804	1.2
131.03392	33.8
132.03741	1.1
133.02829	0.7
139.03902	0.7
143.03365	4.0
149.04456	36.6
150.04726	1.3
159.02882	2.9
161.04463	23.8
162.04791	0.7
173.04445	1.2
179.05563	3.3
179.06903	1.1
191.05530	24.4
192.05820	0.8
192.77946	0.6
205.03398	1.2
216.57001	0.5
233.06590	1.6
289.16559	29.1
290.16742	2.3
315.05170	0.8
319.17404	0.8
381.08890	0.6
421.15353	1.0
421.20618	13.8
422.20804	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31427	0.5
59.01242	0.5
64.08965	0.4
69.47179	1.4
69.47608	1.9
72.15096	0.5
78.95776	32.1
94.11789	0.5
97.91041	0.5
110.98418	53.3
117.09048	0.5
152.99487	3.8
167.01059	1.9
169.86031	0.5
173.19008	0.4
185.02133	100.0
186.02490	2.4
205.73392	0.5
253.21703	25.2
254.22054	2.4
374.26694	0.6
421.23618	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44032	1.6
57.03328	5.1
58.02840	1.9
59.01247	16.6
62.29894	1.9
69.03341	3.5
70.02863	11.6
71.01262	4.8
71.04890	13.4
71.52715	2.8
83.01241	2.7
85.12646	1.8
87.05521	5.8
96.95934	2.9
99.04377	4.6
101.02340	6.9
103.68516	1.8
113.02345	2.9
116.07051	3.2
117.52017	2.0
130.03198	9.9
146.08124	92.5
147.05910	5.1
147.08450	3.9
152.51486	2.1
156.87970	1.8
191.05533	4.6
208.03694	2.1
217.11894	21.4
218.12241	2.6
223.06056	6.4
236.05659	2.4
277.12259	100.0
278.12531	7.7
421.16245	4.2
421.21457	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69577	0.4
55.01758	3.9
55.46836	0.5
57.03326	4.3
58.00467	4.6
59.01250	93.2
60.01586	0.9
69.03321	3.0
69.27197	2.2
69.27623	2.7
71.01252	100.0
71.63782	0.5
72.01588	1.7
72.99190	6.2
73.02820	21.6
75.00758	1.1
78.95792	0.6
79.95605	1.5
81.03339	1.3
83.01257	11.7
84.02039	0.6
85.02824	33.0
86.00002	0.9
86.03167	0.6
87.00748	8.0
89.02316	77.0
90.02640	1.1
93.03333	2.1
95.01271	5.3
96.95897	5.1
97.02849	3.2
99.00166	0.8
99.00763	8.6
101.02322	63.4
102.02654	1.4
103.66277	0.5
108.42178	0.5
109.02832	0.5
111.00777	3.7
113.02332	27.5
114.02644	1.0
115.00240	0.5
115.03908	1.6
119.03389	11.6
125.02317	3.5
127.11162	1.1
127.65771	0.5
129.01825	1.5
131.03398	30.2
132.03723	0.7
135.04431	0.5
139.03896	0.5
143.03394	4.8
149.04462	34.3
151.00288	0.7
159.02879	4.0
161.04465	23.7
162.04796	0.5
167.10762	0.6
173.04448	0.8
179.03973	0.5
179.05489	3.8
179.07013	0.9
191.05533	24.4
192.05838	1.1
203.01909	0.6
205.03394	1.3
209.00609	0.5
215.05548	0.7
233.06508	2.1
289.16559	36.3
290.16891	3.4
303.18585	0.5
344.71500	0.4
355.04340	0.7
421.20712	13.1
422.20895	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2754
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
51.20933	0.5
54.49039	0.4
54.74730	0.4
56.19467	0.4
59.01255	2.5
61.98706	0.6
62.44306	0.4
93.03329	0.6
96.95878	0.5
104.94524	0.4
121.02844	100.0
122.03190	3.3
133.71596	0.4
148.54771	0.5
162.05566	0.4
259.12619	0.6
265.07651	0.5
302.72794	0.4
420.27542	51.3
421.27948	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41618	7.3
55.99017	8.3
59.01233	44.5
59.31436	8.4
71.01239	13.5
71.07747	17.5
72.99117	7.2
78.95797	9.6
79.90120	8.6
89.02330	13.4
96.95860	45.3
99.00703	7.5
101.02300	9.0
109.02862	7.4
109.06468	7.5
116.92758	9.2
120.67860	8.4
153.01826	14.3
163.68710	7.9
182.84599	8.5
191.05553	21.1
335.04401	15.5
377.18054	15.5
421.16431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13990	7.3
53.79859	7.0
59.01250	78.4
61.98694	6.8
69.03336	16.1
71.01254	28.5
71.53355	14.2
72.99205	9.9
73.02798	8.5
75.00758	14.2
80.29652	6.5
87.00751	9.0
89.02325	17.5
89.76561	7.4
93.03356	9.5
96.95886	100.0
97.02831	9.2
98.09434	7.4
101.02360	12.0
134.06020	19.3
161.04572	8.4
162.05495	41.5
191.05484	36.6
194.08221	8.5
206.04532	35.1
231.10126	17.7
238.07076	50.5
256.35098	8.2
275.09207	15.7
297.29794	8.2
421.11557	14.0
421.16205	32.1
421.20935	12.6
422.16241	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00693	0.7
59.01242	2.2
61.87598	0.6
62.40924	0.6
71.72060	0.8
78.95773	4.9
80.45215	1.0
85.02921	0.8
85.06419	0.7
98.20568	2.3
102.01701	0.7
105.80948	0.9
152.99490	23.6
279.23288	100.0
280.23669	11.1
332.55591	0.7
415.22546	7.9
416.23157	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72024	0.6
59.01237	1.3
68.27747	0.6
71.01200	0.6
74.98963	7.2
77.00533	76.5
114.32614	0.6
147.08058	2.0
149.09593	1.5
150.47844	0.6
161.09674	1.0
163.11176	2.4
187.11194	2.3
202.89262	0.7
307.17160	1.0
309.22275	2.2
322.19235	1.2
337.21704	100.0
338.22052	14.3
415.23145	11.7
416.23410	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80503	0.7
54.08222	0.8
55.01744	1.3
57.03326	1.7
57.72065	0.6
59.01251	100.0
60.01579	1.3
61.98703	2.5
69.03314	1.8
71.01254	27.5
71.24346	1.1
72.99196	2.1
73.02819	7.7
75.00751	3.0
83.01273	2.7
83.77921	0.6
85.02819	10.8
85.03300	1.0
86.93215	0.6
87.00774	0.9
89.02317	4.7
93.03322	1.0
95.01302	1.2
96.95907	2.8
99.00743	3.9
101.02327	18.5
111.08062	1.0
113.01569	0.5
113.02329	13.7
113.03072	1.0
119.03436	0.7
123.47671	0.8
125.02333	1.3
131.09117	0.6
131.95993	0.7
139.07570	3.6
143.03465	2.2
159.02864	3.4
161.04468	36.1
162.04840	1.7
165.09111	3.6
171.10205	1.6
181.08696	1.1
185.00891	0.6
191.05579	3.5
195.10170	1.7
205.03534	1.7
357.15512	16.9
358.16074	2.5
417.17764	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26257	0.2
59.01250	100.0
60.01578	1.5
61.01685	0.3
71.01257	0.8
73.02809	0.3
79.95638	0.3
96.95903	0.8
101.02300	0.5
217.37012	0.3
240.93370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25898	0.3
59.01250	100.0
60.01585	1.4
69.36487	1.7
69.36892	0.7
71.01274	0.4
87.55822	0.3
107.17953	0.3
121.44865	0.3
146.49641	0.3
149.06737	0.3
149.45476	0.3
344.66156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72993	0.4
59.01251	100.0
60.01590	1.6
69.21412	1.2
69.21841	1.9
71.01253	0.5
72.29245	0.3
75.00729	0.4
78.41020	0.4
79.95608	1.0
82.30775	0.4
85.02833	0.4
96.95878	2.9
107.76096	0.4
109.90076	0.3
111.08057	0.4
113.02394	0.6
118.94101	1.1
121.02856	0.8
125.09680	0.7
160.95221	1.1
173.08118	0.4
220.45720	0.3
375.17465	0.7
396.18604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66756	0.8
59.01250	100.0
60.01588	12.9
61.01673	1.3
69.28460	7.0
96.95899	1.4
97.56937	0.7
98.19840	1.5
119.00671	0.7
120.96133	0.7
155.02954	0.9
220.15375	0.7
226.17827	0.7
234.65033	0.8
286.88028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66756	0.8
59.01250	100.0
60.01588	12.9
61.01673	1.3
69.28460	7.0
96.95899	1.4
97.56937	0.7
98.19840	1.5
119.00671	0.7
120.96133	0.7
155.02954	0.9
220.15375	0.7
226.17827	0.7
234.65033	0.8
286.88028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.3
57.03314	4.5
57.49305	1.0
58.00465	2.7
59.01250	100.0
60.01602	1.0
61.25478	0.9
69.03307	5.0
69.52695	7.1
71.01251	77.3
71.16800	0.9
72.99174	3.5
73.02449	1.6
73.02824	24.6
75.00745	2.3
79.95593	2.3
83.01258	11.0
85.02819	45.8
87.00748	3.0
89.02316	30.5
95.01258	13.1
96.95889	50.8
97.02829	1.9
99.00751	6.4
101.02319	46.0
113.02328	72.3
114.02659	2.5
117.46238	0.9
119.03393	12.4
125.02295	2.2
131.03366	5.3
143.03387	4.3
143.04391	1.0
149.04436	2.1
151.00244	1.4
161.04471	7.9
179.03342	1.7
179.05608	1.1
191.05492	7.9
193.08676	2.7
193.12230	15.2
196.25748	1.2
211.13303	2.8
241.00201	1.6
294.21640	1.2
308.94089	1.2
311.05466	1.3
355.17615	51.0
356.17838	4.7
373.18646	14.2
374.18738	2.4
415.15613	32.3
415.20541	6.0
416.11075	1.1
416.16013	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.2
57.03316	1.6
58.00471	2.4
59.01253	100.0
60.01595	1.1
65.00191	1.1
69.03337	2.6
71.01257	36.2
72.99190	2.7
73.02820	28.1
75.76380	0.6
79.95631	0.8
83.01257	9.9
83.01712	0.8
85.02831	6.1
87.00768	2.1
89.02319	18.5
93.03373	0.9
95.01269	1.8
96.95892	9.0
97.02846	0.8
98.20537	1.4
98.95473	1.2
99.00778	1.2
101.02325	31.3
107.01277	1.0
109.02834	1.9
113.02328	9.4
116.55965	0.6
119.03389	7.3
121.02901	1.0
125.02335	3.1
126.35193	0.6
131.03424	2.2
133.02843	11.9
134.03236	0.6
135.04395	0.9
143.03439	2.5
146.39888	0.6
147.04393	0.8
149.04509	1.3
151.00270	5.6
153.01949	1.1
155.03517	0.9
161.04538	3.8
161.05777	0.8
175.03926	5.5
177.01822	3.1
179.05580	1.9
189.05571	1.1
191.05547	4.3
193.12279	1.7
199.03964	1.7
201.01857	1.2
225.05437	1.1
227.03572	0.7
284.03354	0.9
285.04062	0.6
297.04114	2.5
298.04813	2.0
299.02097	0.7
300.02863	1.7
309.04047	5.0
311.05603	53.3
311.68155	0.7
312.05862	5.1
325.07248	2.7
353.06754	0.8
373.18747	2.2
390.43292	0.7
397.09305	5.9
415.10547	27.6
415.19925	24.4
416.10928	3.2
416.20090	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66195	0.3
55.43322	0.3
57.03321	0.8
59.01252	100.0
60.01583	1.4
63.73462	0.3
63.95311	0.3
65.00211	1.0
69.03337	1.7
70.52138	1.0
71.01256	3.1
72.99185	0.5
73.02828	0.6
79.95622	0.8
83.01270	1.3
85.02825	1.7
87.00785	0.3
89.02314	1.5
93.03305	0.3
95.01306	0.3
96.95895	7.0
97.02866	0.5
98.95466	0.6
99.00755	0.6
101.02325	2.1
107.01275	1.3
109.02853	0.5
113.02366	0.8
118.71127	0.3
119.03405	0.6
125.02303	2.1
133.02899	0.4
135.04494	0.5
151.00285	4.7
153.01907	1.3
157.01329	0.4
161.04601	0.5
161.06026	0.5
164.93460	0.3
164.98543	0.3
169.01401	0.7
178.99832	0.6
187.07593	0.3
189.05528	0.7
191.05574	1.8
197.00954	0.8
201.05504	0.4
243.02948	0.3
262.08490	0.5
271.02628	0.7
274.99988	0.3
299.01923	0.7
300.02899	1.3
301.03485	0.4
311.05621	0.4
326.07297	0.3
346.61032	0.3
397.09393	0.6
415.10599	1.0
415.16345	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1972
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01748	4.4
57.03335	5.3
57.03568	0.9
58.00453	3.1
59.01249	100.0
60.01586	1.5
69.03327	4.3
69.52963	5.7
69.53373	1.6
71.01250	85.5
72.01576	1.6
72.99175	3.5
73.02819	23.8
75.00767	2.0
79.95611	1.7
80.96382	0.9
81.19951	1.2
83.01251	10.2
83.07594	1.0
85.02823	41.7
87.00751	3.0
89.02308	29.3
93.03308	1.5
95.01266	13.6
96.01601	1.2
96.95885	61.0
97.02819	1.9
98.20681	0.9
99.00716	7.3
99.04485	0.9
101.02316	52.8
102.02660	1.2
103.83617	1.0
105.43444	1.0
106.14203	1.1
113.02326	75.6
114.02653	2.1
119.03387	13.7
125.02328	1.5
131.03358	4.3
141.01808	1.2
143.03403	5.6
149.04468	3.3
153.01772	1.2
161.04472	9.9
163.09616	1.1
177.01506	0.9
179.03381	2.1
181.03944	1.3
191.05527	8.5
193.08633	2.4
193.12268	16.0
202.97595	1.0
209.08087	1.3
211.13313	5.7
235.13248	1.1
241.00175	1.4
289.07709	1.0
355.17575	53.9
356.17947	6.0
373.18616	15.9
374.18979	1.7
415.15765	39.9
416.16599	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13412	1.6
59.01251	100.0
69.53906	11.9
75.91787	1.4
89.25433	1.6
98.19813	3.2
116.46114	1.7
131.03296	1.4
132.23703	1.6
144.95157	1.7
185.16855	1.5
190.61057	1.8
198.25850	1.6
209.08179	4.0
268.88123	1.6
327.64191	1.6
387.86545	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97907	0.6
57.03308	1.0
59.00954	0.9
59.01249	15.8
69.48380	2.6
69.48795	1.2
71.01249	1.9
71.70795	0.5
73.02807	1.2
74.98955	0.8
79.95602	5.1
80.96395	2.3
83.01244	0.6
85.02808	1.7
95.95123	0.5
96.95887	100.0
99.04390	0.7
101.02322	2.1
103.00249	8.8
112.01245	0.4
113.02337	0.9
113.08718	0.5
125.02258	1.0
147.01588	0.4
150.96968	0.7
151.00308	0.9
152.98438	0.8
163.03915	0.8
164.98534	1.8
179.00018	0.6
180.98001	2.4
191.05615	0.7
241.00159	3.2
249.13362	0.6
251.78430	0.5
281.11496	0.6
311.08090	2.4
329.09103	94.1
330.09421	7.3
371.10138	40.8
372.10559	3.2
397.08090	1.3
410.04074	0.5
415.09061	23.7
416.09232	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1037
Annotation	Isomolludistin
Peak:m/z	Relative Intensity
53.53336	0.4
54.52877	0.4
59.01160	24.7
65.00126	0.9
67.01685	0.9
69.03263	0.9
71.01159	7.2
72.99090	1.0
72.99467	0.4
73.02719	3.6
79.95547	0.8
80.36422	0.4
83.01147	2.1
85.02726	2.0
87.00683	0.8
89.02221	5.0
89.03742	0.8
91.01665	0.6
93.03267	0.5
95.01163	0.6
96.95889	13.2
96.96452	0.6
98.95410	0.6
99.00737	0.4
101.02322	5.5
103.05343	0.5
103.68630	0.4
107.01199	0.8
109.02822	3.7
113.02331	3.1
119.03273	1.7
119.75413	0.4
123.04315	0.5
125.02218	1.7
131.04805	1.2
133.02849	25.1
134.03090	1.1
135.04301	0.5
142.04262	0.4
143.03358	0.5
145.02779	0.4
147.04318	1.1
149.04311	0.4
151.00301	2.7
153.01761	0.9
161.02341	0.6
161.04344	0.8
163.00160	0.7
173.02223	0.6
174.02916	0.5
175.03920	9.7
176.04219	0.6
177.01859	7.6
187.03931	0.6
189.05423	0.8
191.03552	0.4
191.05493	2.0
193.12183	0.7
199.03940	2.5
201.01883	2.2
211.03749	0.6
215.03427	0.6
224.04741	1.1
225.05554	2.0
227.03259	0.6
237.05579	0.4
239.07054	1.2
241.00246	0.6
241.04997	0.8
243.02837	0.7
243.06525	1.0
249.05542	0.9
253.05055	0.5
265.04919	0.8
267.06628	2.1
269.04553	1.7
283.06100	0.7
284.03183	2.3
285.03949	0.7
293.04453	0.8
294.05466	0.5
296.74667	0.5
297.04114	3.4
298.04822	3.4
299.02084	0.4
299.05402	0.6
300.02768	0.8
309.04037	11.8
309.07166	0.4
310.04395	1.0
311.05603	100.0
312.05942	9.6
322.04352	0.5
323.05573	1.2
324.06485	0.6
325.07162	4.2
326.07556	0.7
353.06662	3.0
355.17740	1.2
373.18765	0.8
379.08331	0.8
397.09302	10.3
398.09732	1.2
415.10474	46.1
415.16440	7.3
416.10748	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19028	1.0
54.47161	0.9
55.01752	2.0
57.03323	2.3
58.00458	2.7
59.01252	96.0
65.58253	1.0
65.74657	1.0
69.03329	3.2
71.01256	75.0
72.99182	8.5
73.02810	9.5
75.00736	1.5
81.03320	2.8
83.01272	7.7
85.02823	14.3
87.00742	13.1
89.02319	77.4
90.02673	2.1
91.03890	1.3
95.01263	4.3
97.02835	7.9
99.00787	4.7
101.02321	64.3
101.72732	0.9
102.02632	1.4
109.02833	1.4
111.04418	1.4
113.02338	27.2
119.03384	28.8
119.45176	0.9
121.02824	1.8
125.02338	14.2
126.54152	0.9
131.03391	3.7
139.03859	1.2
143.03377	10.1
149.04448	2.7
161.04446	12.7
166.93791	1.1
167.03357	1.1
167.79224	1.2
179.05522	25.0
180.05869	1.5
185.02115	1.2
185.04482	2.3
221.06609	7.6
235.08211	11.8
236.08617	1.2
253.09238	7.9
263.07712	4.5
287.07675	2.7
305.08878	2.3
415.14569	100.0
416.14883	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01582	1.2
64.88950	0.4
71.01258	0.9
76.94613	0.4
79.95614	0.9
80.96397	0.5
85.02823	0.6
96.95886	26.4
98.19727	0.6
101.02335	0.8
149.09598	0.6
161.02367	0.4
162.05569	0.5
179.03406	2.6
180.97975	0.9
191.05453	0.5
194.05760	1.7
209.08124	4.5
241.00252	2.0
331.14676	0.4
413.09119	1.2
413.14783	18.8
414.15085	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.6
57.03322	0.9
59.01250	100.0
60.01579	1.2
69.03329	1.0
69.41882	1.2
71.01254	8.8
72.99172	0.4
73.02825	2.5
78.67615	0.2
83.01250	1.3
85.02821	4.2
87.00777	0.5
89.02312	1.7
93.03294	0.2
95.01285	0.8
96.95895	1.8
97.02837	0.4
97.06512	0.2
99.00769	1.1
101.02319	4.9
102.02684	0.2
113.02333	3.7
119.03406	0.5
125.02369	0.2
129.01836	0.2
135.04449	0.3
137.09641	0.3
143.03406	0.4
159.02930	0.7
161.02332	0.3
161.04454	3.1
179.03384	1.6
180.03761	0.2
191.05511	1.1
194.05772	1.0
203.01889	0.2
209.08144	2.1
209.15407	1.8
241.00407	0.3
353.19702	2.4
354.20001	0.2
371.20724	9.7
372.21228	1.1
413.09076	0.3
413.14731	0.9
413.22049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.7
55.05593	0.3
57.03328	1.2
58.00451	0.2
59.01250	100.0
60.01593	0.9
68.59105	0.3
69.03326	0.7
69.41602	1.3
71.01254	7.4
72.99171	0.3
73.02819	3.0
83.01260	1.1
85.02828	4.0
87.00757	0.3
89.02325	1.8
95.01250	0.3
96.95909	1.0
99.00745	1.1
101.02326	5.0
103.28857	0.3
113.02334	3.1
119.03394	0.5
125.02383	0.4
137.09607	0.3
156.71796	0.2
159.02928	0.3
161.02397	0.6
161.04468	2.7
179.03432	2.3
180.97844	0.2
191.05573	0.6
194.05768	2.3
209.08134	2.6
209.15364	1.4
298.84076	0.3
305.95682	0.3
353.19708	2.0
371.20743	8.2
372.21115	0.8
413.14798	0.4
413.21890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44508	1.2
59.01251	100.0
63.00305	1.3
67.95029	1.1
71.70218	1.1
72.19853	1.3
84.55116	1.1
102.69456	1.1
142.71928	1.3
163.77734	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08202	0.6
59.01234	2.4
71.02488	0.9
71.02840	1.4
75.81398	0.6
89.03855	1.5
93.03318	0.7
105.03342	2.3
123.04395	1.9
133.02841	1.8
151.03935	5.4
153.01877	1.0
161.02353	18.7
162.02718	0.9
179.03423	100.0
180.03789	4.9
193.04880	0.9
194.05777	66.7
195.06145	3.1
200.57892	0.7
209.08131	55.7
210.08499	2.7
217.58904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.6
65.00181	0.2
65.03838	0.7
67.01745	0.4
69.03345	0.3
71.01249	0.8
71.33298	0.4
79.05414	0.4
85.02836	0.6
88.12722	0.2
89.03846	0.7
93.03371	0.3
95.04900	0.5
96.95885	0.4
97.02838	1.5
105.03344	1.1
115.64902	0.3
123.04420	0.9
133.02834	1.1
135.04422	0.5
137.02298	0.2
151.03920	2.7
153.01852	0.6
161.02348	13.4
162.02682	0.6
176.04652	0.7
177.01837	1.3
177.05576	0.3
178.02640	1.8
179.03419	76.2
180.03751	4.1
192.04245	1.6
193.04999	2.5
194.05779	66.2
195.06139	3.6
204.04204	0.7
207.06563	1.6
207.64886	0.2
208.07330	1.3
209.08133	100.0
210.08476	7.1
210.10478	0.3
219.06502	0.5
221.08112	0.3
251.09195	1.7
275.09195	0.6
323.07898	0.4
353.12393	8.1
354.12650	0.9
371.13440	2.1
413.14603	2.4
414.14941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61890	0.3
55.01781	0.4
57.03319	0.3
59.01252	13.9
60.13826	0.3
69.03320	0.5
71.01245	2.1
72.99166	0.6
73.02813	0.7
79.95607	3.9
80.96384	1.3
83.01260	0.6
85.02815	0.7
87.00718	0.4
89.02325	0.6
90.54354	0.3
95.95110	1.2
96.95888	100.0
97.02827	0.5
98.95474	0.5
99.00782	0.4
101.02326	1.8
102.23624	0.3
106.75591	0.3
113.02297	0.6
122.97491	0.6
133.02875	1.3
138.96959	1.5
149.09702	0.3
150.96938	0.8
152.98550	1.7
154.01398	0.7
161.02353	0.5
163.00262	0.6
179.03435	2.2
180.98003	3.3
191.05550	0.8
194.05771	1.7
198.99091	0.4
209.08128	1.9
225.00542	0.3
241.00189	6.6
285.04123	1.9
286.04370	0.5
297.03967	2.7
308.51437	0.4
310.37296	0.3
311.05615	1.7
327.04938	0.4
351.05029	0.4
369.06158	1.0
383.52628	0.3
413.09131	5.1
413.14822	79.3
414.09390	0.6
414.15030	7.3
417.06750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.1
59.19765	0.2
63.85963	0.2
69.03350	0.3
69.28584	0.4
69.28979	1.7
71.01256	1.5
72.17738	0.2
72.99172	0.4
73.02815	0.4
76.56542	0.2
77.37102	0.2
79.95612	3.8
80.96388	1.8
83.01264	0.4
84.07819	0.2
84.74033	0.2
85.02812	0.4
85.90131	0.2
87.00742	0.2
89.02331	0.5
94.97977	0.5
95.95118	0.8
96.95887	100.0
97.02818	0.2
97.95826	0.4
98.20584	0.3
99.00729	0.3
101.02321	1.7
106.27280	0.2
107.19944	0.2
113.02345	0.4
122.97459	0.8
138.96983	1.1
142.97429	0.2
143.03413	0.3
150.97015	1.0
152.98520	1.7
154.01355	0.4
154.73138	0.2
161.02425	0.2
166.92876	0.2
179.03416	0.6
180.98055	2.5
191.05565	0.4
194.05794	0.5
198.99071	0.3
209.08116	0.6
225.00746	0.5
241.00195	6.3
242.00456	0.3
259.01123	0.5
277.06915	0.2
285.02863	0.2
391.46686	0.2
413.14847	82.7
414.15161	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	8.7
65.03825	0.6
67.01782	0.3
69.03323	0.3
71.01269	0.5
78.95776	2.3
79.05394	0.4
85.02829	0.8
87.00758	0.3
89.03868	0.9
90.60511	0.2
95.04914	0.6
96.61032	0.3
96.95901	2.3
97.02829	0.9
98.95489	1.1
98.96300	0.3
101.02301	0.4
105.03320	1.2
107.04935	0.5
123.04385	1.1
129.21512	0.3
133.02872	1.6
135.04463	0.4
149.09563	0.4
151.03922	3.6
151.15622	0.2
152.04295	0.4
152.99489	3.0
153.01837	0.8
161.02348	13.2
162.02702	0.8
176.04732	0.5
177.01901	1.4
178.02643	3.1
179.03416	75.8
180.03746	3.7
191.05557	0.5
192.04269	1.0
193.04985	3.0
194.05775	52.8
195.06079	3.0
204.04343	0.3
207.06541	1.1
208.07393	2.2
209.08133	100.0
210.08464	6.0
219.06612	0.3
251.09235	1.7
275.09296	0.7
299.01907	0.4
331.04599	0.7
353.12421	6.2
354.12622	0.7
371.13458	1.5
381.13297	0.9
413.14532	3.8
414.14844	0.6
435.30792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56109	0.2
58.22345	0.2
59.01247	2.4
64.49977	0.2
65.03838	0.5
71.01267	0.4
85.02826	0.3
87.00733	0.3
89.03799	0.9
93.03329	0.2
95.04930	0.6
96.95884	1.0
97.02834	0.4
105.03329	1.3
107.04913	0.3
112.98711	0.4
117.03390	0.2
123.04414	0.9
133.02831	1.3
135.04416	0.6
136.01550	0.2
151.00293	0.4
151.03911	3.4
153.01823	0.9
161.02350	13.2
162.02725	0.8
175.71014	0.2
176.04665	0.6
177.01862	0.6
177.05524	0.2
178.02596	1.3
179.03419	73.8
180.03763	3.4
192.04172	0.5
193.04970	1.4
194.05777	58.0
195.06097	2.8
207.06575	0.3
208.07411	0.4
209.08136	100.0
210.08475	6.2
251.09262	0.5
273.88419	0.2
275.09277	0.2
312.36139	0.2
316.02142	0.3
331.04538	1.2
333.05270	0.6
353.12396	1.8
371.13467	0.8
413.14697	2.2
414.14240	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.4
69.21567	3.1
69.21989	2.1
71.01264	2.4
73.02832	0.8
75.00746	0.6
76.58923	0.4
79.95606	6.0
80.96387	1.3
85.02817	3.1
89.02298	1.2
95.95108	1.8
96.21549	0.5
96.95889	98.1
99.00755	0.9
101.02322	1.1
115.03918	0.6
123.47889	0.5
129.01846	1.4
133.70886	0.5
136.01601	0.6
138.96947	1.5
150.96960	1.7
151.00288	1.8
152.98553	1.1
154.83182	0.6
156.78473	0.5
177.03970	3.6
178.99814	1.3
180.98067	1.7
184.79944	0.5
223.18661	0.5
241.00272	2.5
256.99689	16.9
258.00009	1.0
271.02435	1.2
303.17767	0.6
316.02249	2.0
331.04599	10.7
332.04895	1.4
411.13309	100.0
412.13574	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45750	1.1
59.01248	100.0
60.01553	1.1
70.82790	3.6
78.95798	1.2
80.10655	1.1
81.80766	1.0
104.21806	1.0
121.82883	1.0
122.64494	1.2
127.67336	1.1
135.97032	1.0
144.42555	1.1
198.70447	1.0
286.75137	1.1
309.23163	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
71.33540	5.3
78.95783	6.0
92.34034	2.6
103.57556	2.7
152.99490	5.5
157.15996	2.7
185.29140	3.1
194.12883	2.4
214.64532	2.5
215.04338	2.5
309.07498	2.6
313.62720	2.8
381.47876	2.7
413.52463	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88176	0.5
59.01251	15.4
68.49998	0.5
69.03342	0.5
69.98240	2.3
71.01255	1.8
72.99173	0.6
73.02818	1.2
79.95604	5.6
80.96396	2.3
85.02822	1.2
89.02329	0.8
95.01241	0.6
95.95106	1.0
96.95889	100.0
101.02317	1.8
103.00253	8.0
113.02368	0.7
121.67442	0.5
138.96997	0.8
150.96986	1.3
152.98521	0.8
153.68584	0.6
164.98535	2.0
180.98027	2.3
191.05653	0.7
241.00113	2.3
256.99683	3.8
261.11365	0.5
309.06601	1.7
320.64874	0.5
327.07535	78.0
328.07867	6.8
369.08612	26.9
369.12299	0.5
370.08997	1.9
395.06387	1.1
413.07571	14.6
413.12775	0.8
430.26599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	12.6
60.99157	3.7
63.16986	3.9
67.01745	3.9
69.03318	20.9
69.96422	10.8
69.96832	9.2
71.01256	48.3
73.02810	11.1
73.34514	4.1
79.01776	8.7
81.03333	34.5
83.01225	3.9
83.98468	3.4
85.02814	31.6
86.59560	3.8
89.02236	4.0
93.03327	5.9
95.01243	4.2
95.04881	8.6
97.02823	6.4
99.00752	6.1
99.04393	10.5
101.02339	21.6
105.03326	14.6
107.04892	15.7
109.06505	5.6
113.02335	19.6
121.02857	8.8
123.04409	100.0
123.90235	4.4
125.02303	4.7
135.04443	10.0
137.05963	28.3
138.06345	4.3
140.85840	3.5
143.03403	8.1
144.58006	4.4
147.04417	5.8
149.05930	5.1
161.04434	14.2
165.05547	5.6
187.07565	7.8
233.28815	5.1
267.08875	6.7
305.69550	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17825	0.7
52.92682	0.6
59.01256	3.3
67.91565	0.6
69.49576	3.8
71.01257	1.4
72.99179	1.0
73.02803	0.7
79.95605	3.2
80.96395	0.7
85.02798	0.8
96.95883	91.8
101.02298	2.0
108.75923	0.6
113.02332	0.7
138.27849	0.6
138.96960	1.6
151.00281	1.4
152.01019	1.5
152.98520	0.7
178.99756	2.3
180.98018	1.6
193.61452	0.7
198.99200	0.8
207.03032	0.7
208.00017	0.7
241.00192	6.5
302.12869	0.6
331.04541	1.8
410.47079	0.7
411.13290	100.0
412.13638	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
59.01240	2.7
60.38260	0.3
63.08420	0.3
65.00185	0.4
66.36068	0.3
67.12643	0.3
69.03319	0.4
69.20815	3.3
71.01263	2.6
72.99170	0.4
73.02818	0.5
75.00735	0.5
79.95608	6.9
80.96406	1.5
83.01239	0.5
85.02826	2.9
89.02333	0.8
95.95099	3.1
96.95889	100.0
99.00771	1.0
101.02362	1.5
107.01268	0.9
109.81812	0.3
113.02349	0.3
115.03864	0.4
122.97463	1.0
129.01845	1.7
138.96959	1.1
150.96999	1.0
151.00307	2.4
151.03920	0.4
152.01013	0.5
152.27127	0.3
152.98541	2.0
163.03893	0.5
168.98007	0.8
176.98560	0.5
177.03983	4.0
178.99739	1.5
180.98039	1.6
191.05606	0.4
194.99660	0.6
225.00581	0.4
241.00229	2.7
256.99713	19.7
258.00070	0.6
271.02460	1.7
287.02136	0.7
316.02185	2.8
331.04590	11.0
332.04974	1.2
411.13303	91.7
412.13593	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
68.01675	1.2
69.03327	2.1
69.44905	8.6
71.01254	20.9
73.02813	4.9
75.00750	7.4
83.01241	3.0
85.02824	10.0
85.06445	1.6
87.00753	3.0
89.02313	7.4
92.44383	1.3
93.03333	1.7
96.95894	5.1
97.02832	2.5
99.00753	3.8
101.02327	20.1
102.02680	1.4
113.02332	6.3
119.03374	10.8
133.46286	1.4
143.03423	1.6
149.09618	2.5
151.11191	3.9
161.04456	5.9
167.10670	2.6
169.12225	3.4
171.10181	33.2
179.03560	1.4
179.05476	1.5
191.05568	13.1
192.05949	1.8
203.01877	2.4
203.12801	2.6
209.11685	1.9
227.12796	2.9
253.09280	3.6
269.13947	6.7
273.05939	1.5
347.17133	14.4
348.17200	1.4
365.18066	11.5
366.18756	1.5
407.19092	21.0
408.19504	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2202
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.92916	0.3
78.95773	100.0
80.73074	0.3
82.45496	0.3
96.96840	8.4
98.19783	0.9
105.61148	0.3
150.97942	2.0
152.99486	86.4
153.99802	1.5
158.50346	0.3
168.67546	0.3
171.00549	68.1
172.00932	1.4
229.45003	0.3
387.34528	0.3
407.21957	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2359
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
56.52442	0.2
60.95185	0.2
62.96284	0.3
70.44700	0.4
78.95772	71.4
84.25666	0.2
89.22953	0.2
96.96838	5.8
140.27368	0.2
150.97920	1.7
152.99483	100.0
153.99832	1.4
171.00549	3.0
255.23262	1.9
318.44675	0.3
318.48633	0.2
409.23572	13.1
410.23840	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.4
65.20691	0.5
78.95774	3.1
98.96332	0.5
149.75685	0.5
152.99530	4.2
154.99979	0.5
165.12755	0.6
183.12172	0.8
183.13841	17.5
184.14143	1.1
192.91379	0.6
195.13838	24.9
196.14198	1.6
213.14908	100.0
214.15257	6.5
217.02121	0.5
232.08876	0.5
368.75519	0.6
409.29529	8.1
410.29980	1.1
423.99780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0023
Annotation	Quercetagetin 3-methyl ether 7-O-sulfate
Peak:m/z	Relative Intensity
50.41443	0.2
50.97195	0.2
57.01658	0.3
65.00192	0.6
67.90233	0.3
95.01250	1.6
96.95865	1.4
98.19800	1.0
98.71784	0.3
107.01276	2.3
108.02056	1.4
109.02834	0.3
109.99982	3.3
111.00768	1.5
123.00781	2.3
123.04407	1.7
124.01552	1.8
125.02334	1.0
135.00763	0.7
136.98674	0.4
137.99486	1.5
139.00262	3.3
147.76508	0.3
148.01543	0.4
151.00266	7.6
151.79097	0.3
152.01076	3.6
153.01854	1.1
157.02838	0.3
163.00240	2.3
164.01070	1.8
165.98962	5.3
166.99724	1.2
167.59949	0.2
169.01373	0.4
171.04401	0.5
174.03087	0.3
176.01091	0.4
178.99780	5.2
180.00455	0.7
181.01306	0.8
183.04448	0.3
186.03108	0.3
187.03947	0.3
188.04625	0.5
193.98462	0.4
196.19437	0.3
198.03090	0.7
199.03912	1.2
200.04678	0.8
202.02655	0.6
203.03522	0.4
206.99272	0.4
208.00078	0.5
211.03900	0.3
214.02602	1.0
215.03358	0.8
216.04109	1.4
217.04877	0.4
219.02957	0.4
226.02592	1.4
227.03459	1.7
228.04193	0.7
229.78873	0.5
230.02028	0.3
231.06590	0.4
232.03625	0.4
241.01277	0.3
242.02127	1.5
243.02901	3.0
244.03708	2.4
254.02177	0.5
255.02992	1.8
257.04700	0.5
258.01791	0.4
259.02454	0.4
259.06116	1.8
260.03104	0.4
263.05768	0.3
270.01685	2.0
271.02475	5.4
272.03171	2.0
275.05511	1.3
285.04047	2.2
287.01974	2.8
287.05579	3.3
288.02502	0.8
298.01080	0.7
299.01956	7.4
300.02518	1.5
301.03439	0.9
303.05118	1.9
313.03488	1.1
314.04279	0.4
315.05264	0.4
316.02222	16.4
317.02402	1.5
329.03009	2.7
330.03754	0.4
331.04572	100.0
332.04898	9.4
411.00278	3.0
411.13318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	100.0
60.14665	24.4
61.98699	65.4
71.33231	41.8
78.95780	49.3
100.60097	23.9
116.69274	30.1
152.99493	51.2
171.67027	24.4
180.69580	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	15.4
59.01244	4.3
64.68889	1.1
66.03332	1.9
70.02838	1.4
70.55077	3.7
72.00775	2.6
74.02344	31.0
77.03211	1.0
81.04449	1.9
82.02855	4.0
84.04436	1.1
85.03965	0.9
85.47353	1.0
86.02336	12.6
86.05994	2.4
87.02644	2.0
87.05508	5.7
88.03907	1.3
89.02342	1.3
91.78342	1.1
96.04392	1.2
97.03944	3.7
99.05522	28.1
101.02293	1.5
101.07067	5.4
102.05488	6.9
107.05996	1.6
109.03952	5.8
110.04336	1.2
111.05548	2.4
112.03954	2.4
121.19096	1.1
123.05540	1.8
124.03897	1.7
125.03439	4.1
127.05070	5.8
128.03426	77.8
129.03719	1.6
133.05925	1.6
133.06842	19.4
135.05533	9.7
136.01537	1.9
137.07100	2.0
141.06581	4.5
143.04526	100.0
144.04828	2.5
145.06087	4.7
146.04498	12.1
149.07132	1.6
151.03886	2.5
153.06615	6.6
155.08182	1.9
165.64365	1.0
166.09741	3.6
167.04520	4.0
167.08200	7.0
170.03212	3.3
171.03973	2.4
177.13715	1.2
179.04527	21.5
181.06108	2.6
184.10818	1.9
185.05617	3.7
188.52448	1.1
192.07645	3.6
197.05612	3.9
198.06064	1.2
199.68752	1.1
210.08780	21.4
211.09070	1.6
254.07780	38.3
255.08301	1.2
272.08878	41.8
273.09183	2.7
277.12366	7.1
308.07132	1.7
388.15448	7.0
399.41162	1.0
406.16483	46.3
407.16919	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89999	1.4
56.14442	1.4
58.02836	13.5
59.01230	5.1
60.05338	1.5
66.03324	1.5
70.44064	3.5
70.44425	3.5
71.01264	2.0
72.00796	1.7
74.02341	23.8
81.04461	2.1
82.02848	3.5
82.44330	1.6
82.58018	1.4
86.02332	13.3
86.06000	2.6
87.05516	5.1
88.03873	1.7
89.21998	1.6
91.41595	1.5
97.03968	2.6
99.05514	24.4
101.07071	4.1
102.05492	5.0
107.06061	2.1
109.03964	4.4
109.07560	2.4
111.05505	2.5
112.03921	3.6
125.03455	2.4
127.04989	5.7
128.03419	72.0
129.03792	2.6
133.06824	15.8
135.05489	7.6
137.07169	2.3
141.06589	4.1
143.04520	100.0
144.04884	2.3
145.06047	4.4
146.04474	8.7
153.06616	5.5
166.09705	3.6
167.04550	3.9
167.08192	4.7
170.03246	2.4
171.04036	1.7
179.04486	21.5
181.06064	2.7
185.05582	2.6
192.07697	2.5
197.05611	4.7
210.08769	21.7
215.86928	1.8
220.10071	1.6
228.09729	1.8
254.07785	52.9
254.10361	3.7
255.08044	2.2
272.08878	57.0
273.09186	3.5
277.12231	6.1
308.07266	2.0
388.15549	11.3
406.16498	63.5
407.16757	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01742	0.7
57.03317	1.1
58.00458	1.7
59.01252	54.5
60.01579	0.7
61.98698	1.3
69.03321	1.3
70.55309	1.7
71.01254	53.5
72.01596	0.7
72.99171	1.9
73.02805	1.6
80.09876	0.5
83.01244	1.9
85.02818	7.1
86.83978	0.5
87.00738	1.5
89.02318	28.8
95.01266	1.8
96.95876	1.0
97.06484	0.5
98.19827	0.6
99.00745	0.6
101.02323	20.4
113.02335	10.9
114.02625	0.5
119.02579	1.0
119.03388	14.0
127.11156	1.6
129.01836	0.8
131.03397	1.0
139.11188	1.2
143.03406	1.3
143.51266	0.4
149.04443	0.7
153.12769	2.4
161.04477	0.9
172.63641	0.5
179.05508	3.7
181.12329	1.1
191.05531	1.5
199.13364	6.3
199.15129	0.8
203.32887	0.5
207.13811	1.1
225.14937	2.0
243.15895	1.3
308.07956	1.2
387.20227	2.6
405.21286	100.0
406.21661	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01584	1.1
61.98700	1.4
69.18263	0.6
69.18665	3.3
71.01265	1.0
71.79559	0.3
73.02835	0.6
78.21748	0.3
79.95591	0.4
85.02833	1.0
96.95869	1.7
97.26969	0.4
101.02332	0.9
113.02345	0.4
128.76196	0.3
129.01817	2.4
134.03653	1.0
143.47704	0.3
147.02922	0.5
148.05225	0.6
161.05997	0.5
168.62321	0.4
178.02739	0.6
244.12122	0.3
275.09351	1.0
404.66254	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.9
57.03319	2.4
58.00462	1.0
59.01254	19.7
60.64416	0.8
61.98709	1.8
69.03320	1.5
71.01254	19.1
71.04881	2.2
71.52241	0.8
72.99178	1.1
73.02820	5.4
83.01260	3.0
85.02818	12.0
87.00755	1.8
89.02322	5.5
91.95868	0.8
93.03322	0.9
95.01246	2.3
96.95875	3.1
97.02830	2.4
97.06410	0.8
99.00745	7.0
101.02326	8.9
113.02340	5.8
119.03350	1.9
124.07569	0.7
125.09590	3.6
134.06041	6.9
150.05515	1.6
155.14294	2.6
161.04591	1.9
162.05511	12.1
163.11195	2.8
165.12820	1.0
178.05072	1.5
181.12259	7.2
183.10219	3.4
183.13831	5.2
191.05534	3.8
192.06589	2.6
193.03802	1.3
199.13338	100.0
200.13681	6.2
207.10196	10.5
208.06075	1.5
225.11284	25.9
226.11688	1.3
227.12785	1.4
243.12352	69.8
244.12726	5.3
247.95714	0.9
267.12125	1.1
285.13123	2.8
286.88583	0.9
361.14188	3.9
361.18604	25.2
362.14255	0.8
362.19025	2.7
405.12860	14.9
405.17636	50.2
406.13104	2.4
406.17987	7.0
425.27939	1.0
429.92569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01757	1.4
57.03319	1.0
58.00455	1.0
59.01252	25.8
61.98696	1.1
69.03312	0.7
71.01251	18.8
72.99194	1.9
73.02816	4.3
75.00745	0.4
83.01264	2.4
85.02823	7.2
85.06469	2.3
87.00728	1.5
89.01752	0.5
89.02312	11.0
95.01270	1.8
96.95877	1.4
97.06511	0.3
99.00764	3.2
101.02327	12.5
113.02328	6.6
113.09620	0.5
119.03394	4.4
120.99540	0.8
125.02287	0.4
129.01836	1.1
133.02873	0.4
135.04352	0.6
137.02315	0.3
143.03419	0.6
155.14325	6.1
161.04443	1.1
178.02618	0.3
179.05515	0.7
179.47621	0.3
181.12242	0.4
181.15862	3.3
191.05544	0.6
199.13324	14.6
200.13696	0.7
209.15303	0.3
225.14914	4.0
241.00217	0.5
253.14598	0.3
263.20624	0.3
268.51102	0.3
308.08145	0.7
361.60776	0.3
380.08798	0.3
387.20328	1.5
405.21280	100.0
406.21600	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01743	1.5
57.03321	8.4
58.00458	2.8
59.01250	66.8
60.01587	1.4
61.98697	1.4
69.03321	2.2
70.54804	1.3
70.55202	1.4
71.01251	50.7
72.01594	0.9
72.99172	2.8
73.02827	2.2
83.01264	2.3
85.02825	7.1
86.69554	0.7
87.00753	2.1
89.02317	36.5
93.03324	0.7
95.01260	3.0
96.95893	1.7
97.02833	1.2
99.00755	1.4
99.04387	5.4
101.02316	23.2
113.02332	14.1
114.02700	0.7
119.03392	16.7
122.96677	0.6
125.02354	2.0
127.11173	2.6
128.47533	0.6
131.03377	1.2
135.04390	0.7
139.11150	1.1
143.03392	2.3
149.04439	1.2
153.12752	7.4
156.56395	0.6
161.04465	2.3
178.54179	0.6
179.05511	4.4
181.12277	1.3
185.00870	0.7
191.05531	4.9
199.13354	4.6
225.14883	6.3
231.31862	0.6
243.16019	0.8
381.15552	0.7
384.74789	0.7
387.20206	1.5
400.33899	0.7
405.21295	100.0
406.21603	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85821	0.4
53.06808	0.4
53.72925	0.4
54.83403	0.3
55.80907	0.4
57.03311	0.5
58.00464	1.0
59.01251	26.0
60.01606	0.5
69.03326	0.6
70.06474	1.9
71.01250	14.1
72.01598	0.4
72.99173	1.4
73.02811	3.4
80.97206	0.4
83.01250	0.7
83.58538	0.4
85.02819	3.2
87.00755	0.8
89.02315	16.8
95.01246	1.2
95.04884	0.6
96.16966	0.4
96.95882	3.8
99.04408	1.1
101.02318	8.0
113.02325	5.4
119.03400	6.3
121.06454	0.4
131.03455	0.5
137.09644	1.0
143.03369	0.5
161.04471	0.9
163.11211	3.6
179.05463	0.8
181.12260	27.3
182.12570	1.6
191.05521	1.3
203.01863	0.5
203.72446	0.4
207.10117	1.0
225.11275	100.0
226.11580	7.0
239.10576	0.6
239.12785	3.0
243.12347	1.2
281.13968	0.9
314.44943	0.4
385.02191	0.4
405.17621	32.0
406.17856	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77911	0.8
57.03325	100.0
57.30463	1.0
58.00471	1.2
58.03657	1.9
59.01252	77.6
59.70097	0.9
69.03343	2.2
69.79951	2.0
69.80339	1.9
71.01257	20.0
72.99178	1.2
73.02825	11.5
78.79307	0.7
81.03353	1.7
83.01262	5.3
85.02811	3.8
89.02319	17.4
95.01272	0.9
97.02894	1.1
97.06439	0.8
99.04396	69.8
100.04766	2.5
101.02321	31.6
105.80802	0.7
113.02325	8.5
113.02980	0.8
113.05933	1.1
119.03387	6.6
123.04422	4.9
125.02338	20.1
131.03384	1.6
134.24733	0.7
135.80978	0.7
139.83554	0.8
141.05478	1.1
143.03429	3.2
149.04474	1.5
153.05502	1.1
161.04468	4.7
179.05540	4.9
191.05598	2.7
199.30392	0.8
261.13541	2.7
379.80185	0.8
405.17526	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1817
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01760	2.2
57.03320	3.9
58.00459	1.1
59.01251	26.7
69.03333	0.5
69.44552	2.5
69.44959	1.4
71.01254	21.4
72.99173	2.0
73.02512	0.4
73.02821	5.3
75.00774	0.6
75.07573	0.4
83.01260	4.2
85.02820	10.7
85.99947	0.8
87.00744	1.6
89.02318	10.1
93.03284	0.9
95.01247	2.2
96.68159	0.4
96.95898	2.6
97.02821	0.5
99.00751	2.6
101.02327	17.3
102.02723	0.5
109.06453	0.5
113.02327	8.1
119.03379	4.1
123.08042	2.4
137.09633	0.8
143.03419	0.6
160.08826	0.6
161.04497	2.0
161.09601	1.1
177.09186	0.5
177.12711	4.5
179.05495	0.6
184.40401	0.4
191.05510	4.8
192.05957	0.5
195.13817	1.7
203.10750	0.7
214.52765	0.6
221.11812	4.8
239.12840	1.0
300.53580	0.5
303.36087	0.6
315.07654	1.0
341.10886	0.8
401.18152	100.0
402.18463	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26862	1.1
55.01738	2.3
56.99643	1.2
57.03313	1.5
58.00443	3.3
59.01252	58.8
61.98701	19.0
64.16518	1.2
68.00239	1.5
69.03318	1.4
71.01251	37.3
72.99154	4.3
73.02812	2.0
78.95746	1.7
79.95601	2.9
80.96353	1.7
83.01239	1.7
85.02840	9.1
85.10866	1.3
87.00732	3.5
89.02318	43.8
95.01215	4.1
96.95885	50.2
99.04371	5.6
101.02325	20.5
111.04395	1.4
113.02335	15.1
119.03397	19.0
131.03357	2.3
135.11650	4.3
137.02257	1.3
139.00235	1.9
143.03416	2.7
149.04381	2.3
156.43674	1.4
161.04509	3.0
161.09612	2.5
177.10904	1.5
179.05452	5.7
179.09132	2.3
179.10687	39.1
180.10991	2.9
180.97989	1.4
187.07590	8.0
191.05482	2.8
193.04979	1.7
197.05930	4.7
202.06145	1.6
203.10617	1.3
213.09120	2.0
215.06917	3.0
223.09706	100.0
224.10027	7.0
231.10248	11.5
241.00192	1.8
241.10748	3.1
257.08072	2.5
272.33896	1.3
275.09238	12.6
343.11697	4.0
403.12503	46.3
403.61404	5.5
404.12720	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.7
59.39294	0.4
61.98701	6.5
63.85616	0.3
71.52962	0.5
78.95777	54.0
79.95617	0.5
89.67789	0.4
96.95908	0.4
96.96850	6.3
106.11347	0.4
123.75291	0.4
123.88410	0.4
124.38012	0.3
140.12024	0.4
140.31474	0.3
150.97893	1.2
152.99490	100.0
153.99887	1.7
171.00562	4.3
178.02681	0.4
230.10542	0.3
249.18524	0.7
278.81918	0.3
361.56314	0.4
403.18762	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58391	2.3
57.25080	1.9
58.02848	11.3
58.15063	2.0
59.01247	8.4
59.02833	2.1
61.98702	32.4
65.59573	2.2
66.03365	2.9
69.77744	1.9
70.44321	7.3
71.01245	4.1
72.00764	2.6
74.02344	31.6
75.04720	2.1
82.02858	4.5
84.04391	1.9
86.02333	13.1
86.98981	4.0
87.05518	8.7
90.00059	2.8
93.31132	2.1
97.03951	2.2
98.19849	2.2
99.05521	27.5
100.00269	2.3
101.07106	2.5
102.05474	5.2
109.03931	5.1
111.05537	2.4
112.03946	4.1
119.37242	1.9
123.05495	5.2
127.05032	4.5
128.02498	4.7
128.03427	78.3
131.04578	3.2
135.05550	7.8
141.06587	8.3
143.04521	92.3
144.04933	2.3
145.06061	3.0
146.04520	7.9
153.06604	4.4
160.00639	26.6
166.09781	3.2
167.04530	8.1
171.07828	2.4
177.03337	11.8
177.52637	2.2
179.04520	20.4
185.05588	4.5
197.05597	4.7
198.08789	2.9
210.08781	15.7
254.07800	25.9
272.08881	36.2
288.06488	13.7
306.07639	100.0
307.07944	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	10.2
60.01617	0.5
64.92004	0.4
71.01244	0.7
71.02096	1.1
71.18797	0.4
79.95607	2.7
80.96387	1.0
85.02821	0.7
91.09096	0.4
96.95889	54.3
101.02328	1.4
103.00249	6.8
119.94611	0.5
136.73717	0.4
138.06735	0.5
138.80275	0.4
138.96928	0.5
164.98523	1.8
180.98029	1.3
186.14758	0.4
191.05550	0.8
241.00249	1.9
297.06656	2.1
315.07541	100.0
316.07822	6.9
317.96182	0.5
335.67282	0.5
342.64163	0.5
357.08585	38.3
358.08817	3.8
383.06375	2.0
401.07541	21.1
402.07867	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	53.7
69.32579	72.9
69.33002	32.7
71.01242	55.5
71.87355	14.3
74.57433	11.0
83.73490	9.9
85.02821	16.8
87.00752	10.1
89.02319	61.9
94.95580	100.0
101.02329	21.6
113.02285	26.7
118.95592	20.9
119.03406	14.4
128.77670	10.6
178.97690	36.0
179.05609	22.3
191.05557	39.8
219.73811	11.2
341.10916	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1451
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01748	4.0
55.47582	1.0
55.51580	1.0
57.03310	4.5
57.06139	0.9
58.00454	2.5
59.01249	70.9
64.29608	1.0
69.03300	2.1
70.09722	4.7
71.01253	74.0
72.99173	4.1
73.02819	21.9
73.42108	1.3
75.00744	1.9
79.95607	6.2
80.23438	1.0
80.96377	2.0
83.01259	13.6
84.40450	1.0
85.02821	30.1
87.00744	3.7
89.02316	33.0
91.96062	1.1
95.01261	3.0
96.95889	100.0
97.02835	2.9
99.00756	7.9
101.02320	52.6
103.00251	8.6
104.21951	1.1
111.00764	7.4
113.02319	20.1
115.03905	2.0
119.03368	2.8
124.56211	0.9
125.02308	5.8
129.01802	1.5
131.03404	19.0
135.53999	1.0
137.02275	1.2
143.03375	4.8
149.04440	9.3
159.02893	2.9
161.04465	23.1
161.05821	1.7
164.01033	3.5
164.98553	3.2
165.01862	5.7
177.09224	1.3
177.28343	1.0
179.03403	2.4
180.04163	4.4
180.98015	2.6
191.05498	3.8
192.05705	1.2
195.06520	5.9
221.08067	2.0
233.06583	6.4
241.00172	4.2
251.09392	1.4
269.10287	41.2
270.10602	4.1
293.08829	1.7
315.07541	92.5
316.07861	6.1
357.08560	31.6
358.08755	3.7
401.07538	18.4
401.14450	35.9
402.08075	1.9
402.14822	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.9
57.03317	3.8
58.00466	1.2
59.01248	45.8
59.07789	0.9
59.53315	0.9
66.96043	0.9
69.03331	2.4
71.01250	45.1
71.32246	1.7
72.99172	3.2
73.02797	10.7
75.00751	1.4
79.95617	6.3
80.96398	1.5
83.01252	5.7
85.02822	21.5
87.00749	4.3
89.02319	23.9
95.01263	2.2
96.95885	85.0
97.02843	2.7
99.00742	5.0
99.77840	1.0
101.02320	33.4
103.00257	7.6
111.00768	5.7
113.02324	13.5
115.03875	1.4
119.03358	2.0
125.02328	4.0
131.03392	11.8
131.09941	1.2
137.02336	1.5
143.03409	3.2
149.02350	1.1
149.04456	4.5
159.02905	2.7
161.04445	12.8
162.06805	1.2
164.01060	2.5
164.98500	3.5
165.01785	4.6
179.03412	3.5
179.07037	1.7
180.04164	5.0
180.98091	2.5
181.04347	1.3
191.05617	5.2
195.06534	9.7
203.10799	1.1
221.08151	2.4
233.06607	3.1
239.09303	2.5
241.00209	2.8
269.10272	26.7
270.10687	2.5
293.08948	1.3
297.06488	1.5
315.07541	100.0
316.07831	7.8
327.07278	2.7
341.10883	1.6
342.09421	1.5
357.08606	32.0
357.12943	1.7
358.08844	3.1
401.07526	17.6
401.14490	23.2
402.07397	1.5
402.14816	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27256	0.2
59.01246	3.0
61.25163	0.2
65.85544	0.2
71.01250	1.6
71.24892	0.4
72.99170	0.3
73.02837	0.2
79.95608	27.4
80.95604	0.2
80.96392	1.4
85.02818	0.6
89.02306	0.4
95.95108	12.8
96.95889	96.2
97.02809	0.3
97.95840	0.4
101.02319	1.3
122.97459	0.9
123.90022	0.2
131.41798	0.2
138.96999	0.9
150.96967	5.6
151.00258	0.3
152.98544	3.1
163.00304	0.3
164.98630	0.2
177.03967	0.6
180.98051	1.9
200.48224	0.2
227.03560	0.3
238.32671	0.2
241.00174	4.8
243.02879	1.1
244.03568	0.3
245.06831	0.2
255.02934	2.6
256.99704	4.8
258.00140	0.3
271.02457	4.5
272.02985	1.1
287.05838	0.2
300.02728	6.6
301.02985	1.0
315.05109	14.8
316.05447	1.6
395.13776	100.0
396.14105	11.7
404.68408	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	4.5
58.00463	4.4
59.01248	100.0
60.01622	2.4
61.98688	2.4
69.03329	6.7
71.01253	83.5
72.01605	2.5
72.99178	5.9
73.02814	18.9
75.00742	2.3
81.03339	3.9
83.01255	11.0
85.02827	18.1
86.97464	2.1
87.00739	17.1
89.02311	61.2
89.02834	4.0
91.03862	2.3
95.01263	4.7
95.80573	2.2
97.02825	20.7
99.00750	5.6
101.02323	64.7
111.00764	3.3
111.04409	4.6
113.02323	27.8
119.03383	26.2
121.02845	2.4
125.02343	18.0
131.03387	3.3
133.04929	4.3
139.03909	4.0
141.01828	2.3
143.03384	10.8
158.17473	2.0
160.72922	2.3
161.04486	12.6
162.72134	1.9
164.54698	1.8
169.04930	2.1
179.05505	5.9
217.07024	2.5
221.06566	4.3
235.08177	16.0
253.09062	3.4
296.86978	2.1
315.05106	2.7
347.25888	2.1
361.11542	2.4
364.26437	2.1
397.13492	61.2
397.18634	4.6
398.13956	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1867
Annotation	Cinncassiol E
Peak:m/z	Relative Intensity
57.03310	0.5
58.00455	2.2
59.01236	1.6
63.82382	0.4
69.42934	3.3
71.01241	0.8
87.04382	4.4
95.04881	1.1
96.95880	0.6
113.05987	6.7
134.03632	0.9
137.09615	4.5
165.04276	0.5
165.05414	2.6
173.80324	0.6
175.11108	0.5
189.12758	2.0
191.14299	1.9
193.04979	1.0
233.19043	0.9
239.14349	0.6
243.17538	1.9
253.49432	0.6
255.13925	0.7
257.15457	17.0
258.15900	1.5
261.11285	9.4
261.18652	0.7
271.16992	1.3
273.18622	9.6
274.19186	0.8
275.16528	4.2
289.18173	1.2
291.19711	2.6
309.20697	3.8
335.18628	34.2
336.18906	4.3
353.19766	3.6
354.19867	0.6
361.16583	1.2
379.17615	13.7
380.17941	2.1
397.18655	100.0
398.19040	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99475	15.5
59.01251	21.3
65.98302	0.9
69.03317	1.6
69.39870	2.7
69.40276	4.7
71.01252	3.1
73.65440	0.9
74.98956	2.6
79.95616	1.1
84.39359	0.8
85.02814	1.7
87.00741	2.0
89.02284	1.2
93.03324	5.3
96.95898	11.3
102.98476	100.0
103.98811	1.4
111.04408	1.0
120.99538	2.1
121.02778	1.1
133.02873	1.6
134.03603	1.0
135.04411	3.4
135.08034	2.6
151.00212	1.0
161.02370	1.5
163.00647	3.0
167.33263	0.9
173.04471	2.8
177.02010	1.0
179.03435	1.7
191.05531	15.7
193.26877	0.9
241.00052	1.2
357.12256	2.4
399.13513	4.7
400.10748	2.1
419.09644	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97910	50.1
57.03313	8.9
59.01251	12.6
60.13830	2.0
61.98693	3.5
69.03317	2.9
69.63438	2.3
71.01254	52.3
71.53542	3.2
72.00275	2.7
72.99185	3.5
73.01027	7.9
73.02806	3.2
74.98958	4.1
77.09778	2.3
79.02099	2.4
81.03318	3.0
85.02848	3.2
85.79222	2.4
90.98462	6.0
93.06996	3.5
93.20396	2.5
95.01266	20.5
96.95894	7.7
97.02840	4.8
97.06459	7.9
111.04396	3.3
115.02120	4.0
120.99537	23.3
121.02832	2.5
123.04391	2.9
125.82654	2.7
125.85487	2.2
134.03622	4.1
135.04388	4.2
135.68346	2.7
143.08884	4.1
148.05162	3.4
151.07521	19.3
153.04231	2.4
153.05466	3.3
157.10474	100.0
158.10732	5.0
163.02122	4.1
163.07529	5.4
169.10429	3.9
177.12755	8.5
178.04439	4.2
178.99820	3.4
183.11981	8.1
191.05551	5.6
191.14388	5.6
193.15900	4.7
195.08394	7.3
195.12048	7.6
195.13739	2.7
211.11626	4.3
219.13855	60.1
220.14153	4.8
221.09892	2.9
225.13158	5.7
231.17473	3.1
235.11612	4.6
249.13162	7.9
253.12660	75.2
254.12943	7.5
259.17047	23.4
260.17148	3.1
277.18048	7.6
283.17151	3.5
293.15823	34.2
311.16693	12.3
399.10526	4.2
399.18552	26.0
400.18729	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20828	1.2
55.01750	1.5
57.03332	3.2
58.00446	1.2
59.01253	27.8
59.70871	1.5
65.03823	5.9
65.67301	1.3
67.01768	2.0
69.03331	8.0
70.39854	4.6
71.01255	26.1
71.01656	1.4
72.99175	1.5
73.02816	4.4
81.03328	18.2
83.01263	2.0
83.04897	100.0
84.05227	2.8
85.02834	12.8
87.00752	1.3
89.02316	11.0
89.03848	5.6
91.05412	1.5
93.03344	8.6
95.04907	10.3
96.95901	5.5
97.02834	8.6
99.00771	2.7
101.02308	9.5
105.03345	5.5
107.04909	18.9
108.02068	3.5
109.02831	3.5
109.06488	1.5
113.02349	9.4
119.03372	2.7
119.04924	3.0
121.02853	12.5
122.03643	6.8
123.04408	67.3
124.04719	1.6
125.05952	7.1
127.03902	28.4
128.04230	1.3
129.70789	1.4
131.03436	1.6
131.04912	1.6
132.05646	1.8
133.02838	1.4
133.06461	7.1
134.03647	6.8
135.04387	4.8
137.05974	5.5
139.03891	3.1
143.04872	2.2
143.07027	2.3
145.02910	1.6
145.06404	2.9
147.04416	6.1
147.08043	6.0
149.02354	7.5
149.04477	2.0
150.03113	2.4
154.02757	1.3
159.04413	4.2
160.05156	2.2
161.04504	3.5
161.05954	1.6
161.09596	2.1
162.03122	4.5
169.06505	2.6
171.08075	10.6
172.05240	1.6
173.05940	2.2
174.06812	1.6
177.05551	2.6
185.00850	2.0
187.07539	13.7
188.08279	4.7
189.09134	38.6
190.09489	1.9
191.05492	2.5
203.01959	1.7
205.08611	4.9
215.07079	1.8
231.10141	2.6
233.08163	17.6
249.07866	1.5
251.09222	9.0
293.10327	1.6
300.02713	1.7
315.04980	6.4
395.13547	18.6
396.14014	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.3
59.01255	2.0
64.86627	0.2
69.47758	1.6
71.01254	0.8
72.99165	0.3
73.02814	0.5
79.95605	3.4
80.96390	1.7
85.02816	0.5
94.97961	0.3
95.95122	0.4
96.95889	95.5
97.95837	0.4
101.02312	1.2
113.02360	0.6
122.97469	0.8
138.95981	0.4
138.96974	4.3
143.03340	0.2
150.96954	1.2
152.98546	3.0
180.98022	2.7
183.32913	0.2
192.58879	0.2
198.99110	3.4
240.97743	0.5
241.00206	9.4
242.00565	0.4
255.02986	0.5
259.01242	1.9
271.02487	0.8
300.02682	0.9
315.05109	2.2
337.72430	0.2
366.78897	0.2
395.13788	100.0
396.14127	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.7
59.01247	5.9
64.87286	0.3
69.44901	2.9
71.01248	3.3
72.99165	0.6
73.02810	0.7
75.00727	0.5
79.95604	8.7
80.96409	2.0
85.02819	3.3
87.00782	0.4
87.04351	0.5
89.02317	0.5
90.33643	0.3
95.95115	3.9
96.95888	100.0
97.02795	0.4
99.00755	1.5
101.02310	1.3
103.00266	0.4
113.02369	0.5
115.03896	0.7
122.97445	0.5
129.01813	2.0
138.96939	1.4
143.58594	0.4
150.96997	1.8
152.98523	1.6
159.02887	0.4
164.98566	0.5
168.98010	0.7
176.98643	0.5
177.03957	6.5
180.98032	1.3
194.99626	0.9
197.82295	0.3
213.00371	0.4
241.00194	3.2
243.02747	0.5
255.02950	1.1
256.99701	26.9
257.99960	0.9
262.11667	0.3
271.02533	1.8
285.11780	1.2
300.02756	2.6
306.63861	0.4
312.64099	0.6
315.05026	6.6
327.07486	1.3
351.67218	0.7
372.67825	1.5
395.13770	92.3
396.14114	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54447	55.2
63.36378	56.0
70.60456	100.0
108.74530	48.8
287.35361	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95452	0.3
56.57975	0.3
62.50806	0.3
64.44244	0.3
69.67032	1.3
69.67448	0.9
87.44767	0.4
97.25780	0.4
105.70816	0.3
105.92974	0.3
108.02023	0.5
135.00702	0.4
151.00288	0.4
163.00253	0.6
167.83577	0.4
216.04256	0.4
226.02597	0.5
227.03358	1.0
228.04286	0.5
243.02936	4.5
244.03586	1.5
254.02222	0.8
255.02962	9.6
256.03479	0.5
259.06378	0.4
271.02466	19.2
272.03094	4.0
287.05554	0.8
299.01941	0.8
300.02734	25.8
301.03024	2.2
315.05103	100.0
316.05447	8.5
395.00751	10.4
396.01025	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0076
Annotation	Tamarixetin 3-O-sulfate
Peak:m/z	Relative Intensity
63.02243	0.3
65.00225	0.3
69.36130	2.1
78.44878	0.3
98.20583	0.5
98.43913	0.4
103.46851	0.3
104.51843	0.3
106.90108	0.3
107.01267	1.2
108.02035	1.9
124.01491	0.5
135.00761	1.1
139.86670	0.3
148.01537	1.9
151.00273	1.6
163.00246	1.8
164.01089	1.6
174.03012	0.5
183.04399	0.3
188.04707	0.3
192.00543	0.7
198.03200	0.3
199.03966	1.0
200.04736	0.6
211.03961	0.7
215.03494	0.7
216.04169	1.2
217.04994	0.5
219.06615	0.4
226.02614	1.8
227.03441	3.6
228.04149	0.4
242.02127	0.4
243.02956	19.0
244.03667	3.1
254.02118	2.4
255.02963	30.0
256.03473	1.9
259.06049	0.8
271.02466	64.7
272.03061	6.5
287.05524	1.2
299.01923	1.3
300.02737	38.6
301.03149	2.4
315.05096	100.0
316.05417	9.9
337.05884	0.3
395.00763	10.2
396.00964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.1
70.40081	2.6
78.95773	3.5
93.31841	0.7
96.96838	0.8
98.04723	0.6
98.20412	0.8
112.15900	0.7
152.99484	18.2
255.23254	100.0
256.23599	8.7
391.22418	7.4
392.22983	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40953	2.5
59.01254	18.2
61.98703	100.0
66.47358	2.6
69.73308	15.8
81.60741	2.4
90.90404	2.7
96.95869	6.4
118.83743	3.1
145.75426	2.7
152.96518	2.9
228.99382	2.7
396.34692	2.8
405.53891	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.2
56.99696	0.4
57.03324	1.5
58.00472	3.6
59.01252	77.7
60.01590	0.9
60.45147	0.4
69.03332	1.6
69.74632	0.4
71.01254	66.4
71.08321	0.8
72.01595	0.9
72.99187	4.5
73.02822	9.6
75.00737	0.8
78.52769	0.4
83.00769	0.5
83.01251	3.2
85.02825	9.4
85.99976	1.7
86.08427	0.4
87.00748	8.0
89.02319	100.0
90.02656	1.2
95.01255	1.3
96.95872	0.6
97.02813	1.0
99.00748	1.2
101.02326	41.9
102.02666	1.1
106.67085	0.4
111.00821	1.0
111.70930	0.4
113.02332	13.8
119.03384	7.9
120.03759	0.5
125.02344	2.1
131.03397	42.8
132.03758	1.3
138.16722	0.4
143.03400	1.3
149.04465	61.5
149.10583	0.5
150.04808	1.6
161.04443	1.7
179.05527	1.8
191.05536	22.7
192.05952	0.8
233.06633	0.4
251.07710	0.5
261.13425	1.0
314.04248	0.5
376.07339	0.4
393.17670	5.5
394.18045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.0
55.12595	0.5
57.03323	1.6
58.00469	4.0
59.01250	100.0
60.01595	1.2
66.17466	0.6
69.03333	0.9
69.40205	3.5
69.40625	1.0
71.01252	75.1
72.01595	1.2
72.99184	5.2
73.02816	9.0
75.00704	0.8
78.95717	0.5
83.01268	3.8
85.02821	14.5
87.00742	5.0
89.02316	90.6
90.02644	1.7
95.01260	2.8
96.95879	1.6
97.02813	1.5
99.00741	2.5
101.02318	37.9
102.02690	1.1
111.00773	0.6
113.02330	22.7
114.02637	0.5
119.03387	23.1
120.03754	0.6
125.02338	3.5
131.03397	17.8
132.03711	0.5
143.03371	5.5
149.04460	26.6
149.81779	0.5
150.04919	0.6
161.04474	6.7
179.05527	13.4
191.04015	0.7
191.05560	7.6
196.62308	0.5
213.11238	0.5
252.96661	0.5
261.13391	5.5
271.02298	0.5
302.97174	0.5
314.04227	0.9
333.15332	1.0
333.18948	0.5
351.05551	0.6
393.17273	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.5
57.03325	80.9
58.03648	2.0
58.50799	1.3
59.01252	100.0
62.85817	1.1
65.00211	1.7
71.01247	10.3
71.33012	2.7
73.02811	5.4
78.67952	1.1
81.03316	1.7
83.01247	4.0
85.02802	8.1
89.02290	2.0
96.95889	2.5
99.00769	2.2
99.04397	74.9
100.04718	2.1
101.02322	33.2
102.02651	1.3
107.01272	1.8
113.02316	6.6
121.62334	1.4
125.02328	20.1
145.02895	1.9
151.00272	4.3
159.02844	1.9
160.26320	1.3
161.04462	5.1
171.04419	2.0
183.04393	1.3
191.05559	3.1
199.03900	5.7
203.13867	1.3
215.03508	2.5
227.03438	3.9
239.65131	1.2
243.03032	12.8
249.13411	32.7
250.13721	1.3
255.02965	4.6
268.15533	1.3
270.01749	1.9
271.02493	16.0
277.09247	1.4
299.01993	32.5
314.04321	72.8
333.19162	3.7
393.16913	2.0
401.39517	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06037	0.7
57.03310	4.3
59.01249	25.8
61.98698	1.3
69.03336	0.8
69.79922	4.2
72.42078	0.8
83.73630	0.8
96.83630	0.8
96.99239	0.6
99.92448	1.4
121.02825	1.8
121.10114	1.8
123.08054	1.5
125.09608	5.2
127.11185	4.2
137.09674	1.1
139.11179	40.2
140.11543	1.5
151.11148	1.1
153.09143	1.3
155.10677	2.8
165.08934	2.0
167.10669	1.0
171.10175	52.5
172.10519	3.0
183.10161	4.2
185.11743	13.2
191.06859	0.9
193.08386	80.1
194.08684	3.4
201.11296	7.2
205.64561	0.7
207.10019	1.8
208.01283	0.9
209.07933	2.1
225.09843	1.1
247.20660	1.6
253.09357	5.8
254.09470	0.9
267.10931	1.5
275.20047	2.8
293.21207	15.1
294.21573	1.9
311.22256	100.0
312.22620	10.3
313.84402	0.8
315.19388	11.8
316.19827	1.7
333.20459	8.4
377.19070	1.7
393.22455	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	10.6
59.01253	70.5
69.03327	7.4
70.92545	3.9
71.53300	4.3
74.95480	3.8
86.32431	3.2
99.92470	10.9
119.08553	20.8
125.09605	8.1
127.11172	7.1
137.09633	47.4
139.11136	9.6
155.10646	4.7
167.10753	6.0
171.10179	100.0
183.10226	4.4
185.11710	23.4
193.08325	17.6
197.11783	3.9
201.11259	8.7
207.09961	98.2
208.10268	8.2
213.11339	8.1
245.19075	7.5
253.09357	6.4
273.18695	7.9
291.19595	26.7
309.20721	87.6
310.21039	12.7
313.17856	98.2
314.18250	9.7
391.20773	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01584	1.4
66.97182	0.3
69.62485	0.3
70.29325	0.7
71.01252	3.9
72.50340	0.3
73.02830	0.4
74.29288	0.3
82.76834	0.3
85.02818	1.1
89.02312	3.9
96.95884	0.9
98.99400	0.3
101.02331	3.1
103.38475	0.3
113.02358	1.3
119.03365	1.8
131.03426	0.5
161.04501	1.4
179.05606	1.3
191.05486	0.4
265.74802	0.3
331.17780	1.3
391.07065	0.6
391.19620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10075	0.3
59.01252	100.0
60.01588	1.5
69.38072	1.4
69.38500	1.1
71.01275	0.4
85.02846	0.4
88.69268	0.3
96.95877	3.1
124.14824	0.3
126.93697	0.3
275.09186	0.5
380.80969	0.4
391.10782	1.1
392.20383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87735	2.5
57.03315	2.6
57.17475	2.3
59.01251	53.3
63.68427	2.0
64.35669	1.9
69.03358	2.8
71.42375	2.8
73.02792	2.0
97.06459	2.6
99.77661	2.2
99.92456	2.7
111.08046	18.1
111.90549	2.0
119.08546	2.4
124.38816	2.3
147.11685	7.2
153.12804	2.5
165.12761	5.6
169.12225	5.9
171.10201	2.6
197.11757	70.2
198.12073	4.1
209.15387	4.0
211.13380	7.0
215.10475	8.7
219.09967	7.4
233.11551	100.0
234.11871	11.3
251.16457	4.1
272.72287	2.6
291.19635	16.3
293.12390	9.9
309.17258	4.6
309.20700	56.3
310.21173	6.3
313.17792	10.0
331.18781	8.5
380.08859	2.6
391.20746	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.2
57.03321	0.2
59.01251	3.1
69.37488	0.8
69.37933	1.1
71.01251	1.4
72.99150	0.3
73.02813	0.6
79.95609	4.1
80.96397	1.5
85.02819	0.7
87.00764	0.3
94.97960	0.3
95.95114	0.5
96.95889	100.0
97.95812	0.3
98.20495	0.5
99.00707	0.2
101.02343	1.9
113.02291	0.4
122.97463	0.9
138.96947	0.6
150.97018	1.1
152.98537	1.0
180.98047	3.7
181.81779	0.3
184.58221	0.2
195.71436	0.3
241.00177	3.9
275.09177	0.4
316.48822	0.3
391.10672	85.9
392.10995	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40826	0.6
57.03328	8.3
59.01249	100.0
60.01595	1.1
69.33632	3.8
69.34042	1.8
71.01258	11.5
73.02827	2.3
83.01264	1.2
85.02840	2.7
87.00751	1.2
87.04411	0.9
89.02317	12.0
93.96017	0.7
95.01270	1.0
96.95893	2.3
99.00829	0.8
99.04386	5.6
100.79488	0.6
101.02321	10.1
107.69121	0.9
111.08015	1.1
113.02319	5.6
118.36949	0.6
119.03384	5.6
122.26221	0.6
125.02343	2.3
131.03468	0.7
137.09634	2.6
143.03375	1.1
155.10669	13.2
156.11028	0.7
161.04416	2.9
169.12321	1.2
173.08093	0.6
179.03687	0.6
179.05569	2.7
191.05603	1.3
199.09686	13.6
211.13441	0.8
220.07164	0.7
224.17834	0.6
229.14525	2.2
241.10794	4.3
301.12994	1.9
331.17554	4.2
391.15497	1.1
391.19781	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38249	0.6
59.01249	100.0
60.01595	1.4
71.01260	3.4
71.02322	1.8
73.02808	0.7
73.95319	0.7
85.02822	1.4
89.02310	3.6
96.95899	2.9
101.02328	2.0
109.24543	0.7
113.02340	1.7
116.78087	0.7
119.03397	1.6
179.05661	1.1
314.62463	0.7
349.05984	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01582	1.0
69.03336	1.3
69.18572	3.2
69.19002	1.3
71.01239	2.0
73.02843	0.5
79.95625	1.4
80.96410	0.5
85.02841	0.7
87.00748	0.5
89.02318	0.7
93.03321	0.6
96.95886	13.2
98.44978	0.5
101.02341	1.7
113.02340	0.9
126.43427	0.4
132.29710	0.5
135.04425	0.6
161.04422	0.6
179.03435	0.7
191.05536	1.1
241.00204	3.4
391.10657	6.9
391.19879	0.4
392.11072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73607	0.4
56.67436	0.4
59.01250	100.0
60.01586	1.0
71.01250	1.4
71.25089	0.7
73.65516	0.4
76.66686	0.5
79.95632	1.3
85.02806	0.5
96.95890	16.5
98.95477	0.6
101.02327	0.6
113.02299	0.8
134.03687	0.9
149.02449	0.5
161.02341	0.6
172.48769	0.5
191.05685	0.6
241.00270	2.3
275.09372	0.6
276.72601	0.4
299.05029	0.5
301.52356	0.5
345.74960	0.5
391.10669	7.4
392.10831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10810	0.5
59.01249	100.0
60.01575	1.0
61.77023	0.5
71.01250	0.7
71.02673	1.2
96.95885	7.0
109.44566	0.5
169.99130	0.5
241.00232	1.7
253.42087	0.5
279.58856	0.5
391.10632	3.5
392.10757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	32.4
60.02423	21.8
71.08393	53.3
80.96399	100.0
94.97991	37.5
95.82754	23.0
115.11034	19.9
164.98576	29.1
197.11813	85.8
199.84439	23.2
225.00626	28.1
255.23444	22.8
299.04413	34.6
389.19034	42.8
390.19885	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02409	6.0
59.01253	100.0
71.29779	14.4
134.52495	6.1
143.23462	5.7
168.64375	6.3
196.80658	6.5
279.83057	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	5.1
61.98698	7.9
63.69731	0.4
64.33738	0.4
71.01244	1.6
72.99166	0.5
73.02816	1.1
79.95603	3.8
80.96378	2.4
85.02785	0.7
87.00728	0.9
94.97939	0.6
95.95142	0.5
96.95885	100.0
97.02821	0.5
98.19776	0.8
101.02322	1.7
113.02299	0.7
119.31237	0.5
120.84563	0.4
122.97462	1.1
138.96951	1.1
149.09610	1.8
150.97014	0.5
152.98532	5.4
155.06424	0.4
161.04434	0.6
180.98029	1.6
215.06604	0.4
241.00191	24.5
242.95021	0.4
390.09171	0.7
391.10660	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.9
69.45876	3.1
71.01243	0.4
73.02814	0.7
73.76899	0.4
79.95602	3.7
80.96384	2.0
95.95119	0.6
96.95890	100.0
101.02331	1.2
113.02315	0.4
122.97462	0.9
124.12685	0.4
128.82372	0.4
138.96965	1.0
149.09622	1.7
150.96965	0.6
152.98528	6.1
180.98021	2.4
238.82608	0.4
241.00204	26.9
242.00435	0.5
284.67206	0.4
325.27240	0.5
391.10690	68.0
392.11072	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59967	0.2
55.01750	0.5
59.01254	1.8
71.01253	0.5
71.03388	0.5
73.02823	0.6
79.95606	3.8
79.96042	0.3
80.70860	0.2
80.96401	1.7
83.01258	0.4
85.02824	0.6
85.68228	0.2
87.00741	0.8
94.97961	0.3
95.95128	0.5
96.95890	100.0
98.99333	0.2
101.02299	1.3
108.55015	0.2
113.02381	0.5
115.03899	0.2
115.36934	0.2
122.97457	1.1
138.96941	0.9
149.09608	2.1
150.96964	0.6
152.97279	0.3
152.98532	5.4
166.96492	0.5
180.98051	2.3
213.00798	0.3
223.13377	0.4
241.00204	22.1
242.00500	0.7
391.10681	51.4
392.10995	5.1
393.12869	0.2
399.72885	0.2
412.90271	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.92955	1.3
55.01767	3.2
58.00481	2.0
59.01250	100.0
61.27597	1.4
67.01765	4.3
69.03339	2.1
70.71223	2.5
70.71579	2.8
71.01253	56.0
71.04910	2.2
72.99178	2.3
73.02821	68.5
74.03193	1.6
81.03325	2.8
83.01260	20.4
83.07463	1.3
85.02829	6.3
87.00775	1.7
89.02316	7.6
95.01263	1.9
96.95890	3.2
97.02838	3.9
99.00845	1.9
101.02325	44.7
101.90555	1.3
113.02335	10.7
119.03386	2.9
121.10081	7.1
125.02311	2.3
125.09653	1.3
131.03398	3.1
139.11189	22.3
143.03365	2.6
149.04489	1.9
151.00233	2.2
161.04457	4.8
163.11259	7.7
165.09123	24.9
166.09494	1.4
167.03413	1.6
168.37405	1.3
181.12254	30.6
181.13730	2.3
183.10179	14.1
191.05469	2.5
195.02956	3.3
207.10213	4.5
210.05200	1.6
216.80942	1.4
225.07567	3.9
225.11249	19.6
226.11609	2.3
267.12344	7.3
268.12674	1.7
327.14441	3.7
364.98413	1.3
387.23972	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01758	0.5
57.03309	0.5
58.00457	0.7
59.01252	51.1
60.01577	0.8
68.38252	0.5
70.44878	0.5
71.01255	12.4
71.10209	1.1
72.99126	0.4
83.01260	0.6
85.02804	2.5
87.00778	0.7
89.02317	13.1
95.01267	1.2
101.02319	8.4
113.02325	5.0
115.38608	0.5
119.03383	5.4
163.11227	5.3
177.12567	0.5
194.47397	0.5
207.08340	1.0
207.10210	13.3
223.05994	0.5
225.06523	0.9
225.11263	0.7
332.44122	0.5
387.16599	100.0
388.16904	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65966	0.6
57.03318	1.2
58.00469	1.7
59.01252	93.8
60.01600	0.6
67.01734	0.7
69.97589	3.3
71.01253	23.7
72.99171	3.7
73.02809	1.2
81.54674	0.6
83.01270	2.0
85.02818	7.3
87.00764	2.3
89.02319	23.8
93.03338	4.2
95.01276	1.3
96.09235	0.6
96.95911	1.7
99.00748	0.8
101.02319	16.4
107.31985	0.6
108.02059	0.8
113.02327	9.0
119.03385	10.2
121.02845	1.2
123.04389	1.2
131.03401	0.8
133.02841	0.6
151.03917	2.2
161.04478	2.1
163.11189	17.3
173.04437	2.0
179.05516	2.4
189.12762	1.3
191.05534	17.1
192.05931	1.2
195.02980	1.1
207.10187	5.2
225.07700	1.7
225.11223	1.1
283.76767	0.6
314.96399	0.6
387.16608	100.0
388.16949	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37039	1.5
53.19880	1.6
59.01237	4.8
61.98701	100.0
69.36052	13.0
72.78039	1.8
72.99172	3.2
96.95863	3.0
98.19799	2.8
116.44385	1.6
122.63631	1.4
149.80336	1.5
187.07481	1.9
191.34300	1.6
198.98999	1.9
205.29492	1.7
239.00865	1.7
389.19284	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1817
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01746	0.6
58.00455	0.6
59.01251	55.1
60.01581	0.7
69.83029	2.8
71.01252	9.1
73.02811	3.2
79.62779	0.6
79.95573	0.5
83.01273	1.1
85.02815	3.5
87.00766	1.1
89.02326	3.4
95.01279	1.2
96.95892	1.4
99.00728	0.7
101.02322	6.5
102.64966	0.6
113.02348	3.5
119.03345	1.4
135.36668	0.6
161.04407	1.7
191.05489	1.2
193.05034	0.9
227.12883	0.6
261.79138	0.6
329.15884	1.4
371.17148	1.5
374.08200	0.6
389.18161	100.0
390.18484	9.3
390.23193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1297
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
50.82282	0.9
59.01243	13.3
64.05884	1.1
71.32687	2.5
72.19614	1.1
85.02821	2.1
89.02229	1.4
106.97879	1.1
109.02838	2.1
114.19990	1.2
117.67953	1.6
120.90265	1.2
121.02842	32.1
122.03710	2.7
123.04395	1.1
127.54123	1.1
143.66501	1.1
163.07582	7.5
165.05481	100.0
166.05870	5.2
167.45164	1.0
180.14725	1.3
225.07652	90.5
226.07896	3.5
236.89987	1.1
387.12997	33.2
388.13171	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1297
Annotation	Syringoxide
Peak:m/z	Relative Intensity
55.88388	0.4
55.99557	0.4
57.03288	0.4
59.01256	2.8
65.00182	0.4
69.95952	0.3
71.01249	2.1
71.53216	0.5
73.02811	0.5
79.95611	1.4
80.96384	0.5
85.02816	1.2
87.00745	0.9
89.02309	1.0
96.95879	2.6
101.02298	1.0
102.98471	0.5
111.04344	0.4
112.74665	0.4
113.02322	1.2
119.03396	0.5
120.99554	0.9
136.01698	0.6
138.03157	0.9
139.03912	1.3
151.00247	0.7
151.03920	0.8
152.01105	0.8
161.04483	0.9
165.01816	0.6
166.02568	0.8
167.03412	7.0
168.03748	0.5
180.00554	1.4
181.01369	1.8
181.05003	1.8
182.02049	0.4
191.03400	0.4
191.05478	0.7
192.04210	0.8
194.02116	5.5
195.02917	57.8
196.03311	3.2
209.04480	10.4
210.05269	62.2
211.05650	3.7
224.06816	0.7
225.07635	100.0
226.07974	6.6
239.03854	1.1
257.04803	1.4
259.21527	0.4
270.13333	0.5
301.02719	0.4
307.03442	2.5
307.53690	1.0
327.05630	0.6
344.47189	0.4
347.01355	1.5
347.51636	0.5
387.12979	20.4
388.13327	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40396	0.5
52.50154	0.5
55.42297	0.6
59.01252	100.0
60.01588	1.0
62.06573	0.6
66.54391	0.6
68.71030	0.5
69.03343	0.8
70.86435	0.6
70.86750	0.9
71.01251	6.6
71.01614	0.7
73.02821	3.0
75.39726	0.6
79.95616	0.8
82.82559	0.5
83.01285	0.9
85.02808	3.5
85.53793	0.5
87.00735	0.8
89.02319	0.9
95.01279	0.9
96.95907	2.2
97.02831	1.3
99.00753	0.6
101.02313	2.7
113.02316	1.8
119.08549	3.6
121.06477	13.3
125.71934	0.5
137.09561	3.3
148.05182	3.8
161.04504	2.0
163.07573	2.8
165.09242	0.8
179.10724	2.6
181.08641	4.0
191.05591	1.8
222.08391	0.7
223.09769	1.5
255.31073	0.6
282.77792	0.6
299.14944	0.6
337.00183	0.5
343.14084	1.2
346.16489	0.5
361.19901	0.6
362.19632	0.5
385.11588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
70.36406	1.4
71.01251	3.9
71.08319	3.5
73.02779	2.0
89.02316	4.2
101.02347	3.6
113.02327	2.8
119.03419	1.7
134.68150	1.6
161.04436	2.0
179.05528	2.9
183.84962	1.6
259.16513	1.8
321.46182	1.7
323.09702	2.1
341.10739	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92372	10.8
56.18566	12.9
59.01237	53.5
61.11683	11.4
64.44637	10.6
68.95387	11.3
69.38431	10.2
71.01248	22.8
71.52311	23.7
85.02773	16.7
87.00683	13.4
88.68545	10.6
89.02314	26.8
89.64169	12.5
101.02308	17.4
113.02335	19.0
129.34590	14.5
134.42862	11.5
138.11115	12.0
142.95100	13.4
157.84770	12.1
179.05347	14.5
191.05528	100.0
323.09683	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.0
61.98702	0.2
69.03319	0.2
70.91772	0.5
71.01243	0.9
72.28391	0.2
73.02811	0.3
85.02812	0.5
87.00737	0.2
89.02318	0.5
93.03335	2.9
96.95888	0.6
101.02327	0.4
113.02337	0.4
119.03315	0.2
135.04425	0.3
135.08061	0.3
137.02345	4.1
137.03334	0.3
145.02861	0.3
158.33395	0.2
159.04494	0.2
161.04475	0.2
163.03934	2.2
164.04698	100.0
165.05042	5.7
179.07054	90.9
180.07381	5.5
190.96457	0.2
191.05536	0.4
232.74094	0.2
323.09772	0.3
341.11377	0.3
383.13525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81537	0.2
57.32246	0.2
59.01254	1.7
59.06493	0.2
68.66067	0.2
69.03323	0.2
69.29891	1.7
71.01262	0.3
73.30808	0.2
87.00774	0.2
96.95888	0.4
102.55367	0.2
109.02801	0.2
110.74812	0.2
137.02353	1.0
140.42406	0.2
163.03903	2.4
164.04698	100.0
165.05026	4.6
177.05475	0.5
178.06303	0.3
179.07054	71.3
180.07382	3.9
221.08043	0.2
242.42305	0.2
323.11038	0.4
341.12482	0.3
383.13525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
70.10231	9.7
71.01255	15.7
73.02808	4.8
73.44753	2.5
74.42668	2.9
74.76510	2.7
81.25622	2.7
85.02816	8.0
87.00748	3.9
89.02304	15.3
89.64102	2.5
101.02319	7.7
113.02322	8.0
119.03378	3.5
127.17195	2.7
134.18163	3.5
167.82582	2.6
203.32257	3.5
288.52316	3.1
309.65738	2.7
310.96344	2.9
323.09753	8.7
341.10818	11.9
347.01251	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28939	0.7
59.01241	3.9
59.83257	0.7
65.11999	0.8
69.24288	1.8
69.24699	7.0
69.29453	0.7
71.01258	1.6
73.09683	0.8
81.10674	0.9
89.02343	1.0
96.95868	4.7
101.02341	0.9
103.49238	0.8
136.07578	100.0
137.07927	4.7
137.08786	0.9
177.16145	0.8
178.08646	80.2
179.08992	5.1
180.07384	0.9
191.05571	1.8
253.67537	0.8
385.11682	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72349	0.5
58.99471	20.3
59.01244	5.7
60.57885	0.4
61.43301	0.4
62.56059	0.4
69.03318	0.5
71.01244	0.8
71.53321	0.5
73.02826	0.7
74.98965	3.9
80.33833	0.4
83.01291	0.5
83.91376	0.4
89.02303	0.5
89.46887	0.4
96.95886	5.8
102.98474	100.0
103.98828	1.3
109.06450	0.4
113.02367	0.6
120.99526	2.4
123.21175	0.4
149.05965	0.7
163.00600	2.5
179.10651	0.8
188.41049	0.4
191.05508	1.5
197.65439	0.5
202.40190	0.4
209.08174	0.7
288.70349	0.5
343.10645	2.6
343.21164	0.9
382.38385	0.4
385.11526	1.1
408.97495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88067	0.2
55.41311	0.2
59.01254	1.4
63.06770	0.2
69.51650	1.2
71.01263	0.8
72.99190	0.2
79.95609	3.2
80.96387	0.3
83.04900	0.5
85.02824	0.3
87.00735	0.2
87.02284	0.4
89.02309	0.5
95.01207	0.2
95.04953	0.2
96.95888	100.0
97.95824	0.5
101.02308	0.6
105.03344	0.7
113.02334	0.4
131.82286	0.2
133.02870	0.2
135.04463	0.2
135.11673	0.2
161.09592	0.5
179.10681	2.8
181.08597	0.4
191.05568	0.5
203.10603	0.2
222.14474	0.2
223.09833	1.3
229.89862	0.2
265.10809	0.6
295.11978	0.2
325.12979	0.4
381.98654	0.2
385.09592	12.6
386.09897	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.9921
Annotation	Quercetin 7-O-sulfate
Peak:m/z	Relative Intensity
51.99856	0.9
59.01252	4.1
59.08910	0.7
62.99794	0.7
63.02262	4.1
65.00191	8.1
69.31436	5.4
69.31851	2.3
83.01260	5.2
83.61244	0.9
93.03326	2.0
107.01266	15.1
108.01591	1.0
109.02850	2.8
115.71152	0.8
119.01183	1.0
121.02845	12.8
139.03809	0.8
149.02318	1.4
151.00272	48.6
152.00644	2.3
161.02333	1.1
163.00266	2.8
164.00946	1.2
169.01302	2.1
178.99780	21.5
201.05511	1.6
211.03975	1.3
227.03362	1.1
229.04883	1.2
245.04546	2.5
255.02995	1.9
257.04410	1.5
271.02484	1.3
273.04077	2.9
283.02594	1.1
284.30295	0.8
301.03525	100.0
302.03909	7.5
357.98087	0.9
380.99240	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81579	0.7
56.02217	0.9
59.01241	4.2
62.28085	0.7
69.03320	0.8
69.24479	7.1
71.01246	2.0
79.95594	1.9
82.97493	0.7
84.96188	0.8
85.02853	0.8
86.71310	0.9
93.03339	1.4
96.95882	5.9
101.02303	0.9
105.06939	1.0
107.01236	1.0
107.04910	2.9
108.02061	12.1
111.00711	0.9
119.04919	2.3
123.00775	1.1
133.06476	1.1
136.01564	21.6
147.04402	1.9
147.93318	0.8
148.05206	10.2
149.05998	16.1
151.00238	1.2
173.39322	0.8
177.05498	100.0
178.05836	5.4
179.03386	0.9
191.05519	0.9
215.20650	1.0
271.02527	1.6
301.03635	3.8
306.57022	0.9
315.05066	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52291	0.6
59.01251	100.0
60.01590	1.3
65.00198	1.5
67.63434	0.6
69.03319	3.8
70.99232	0.6
71.01286	0.7
83.01272	1.6
85.02840	1.0
96.95908	1.1
97.02823	1.6
98.19766	1.7
99.00784	0.9
101.02354	0.7
107.01305	3.0
109.02838	1.1
121.02886	2.5
123.04459	0.9
127.00317	0.7
151.00284	13.6
151.03914	1.8
152.99599	0.9
169.01222	0.7
178.99773	6.9
185.00891	1.7
195.03043	0.7
203.01917	3.7
250.08266	0.8
259.16928	0.7
301.03513	27.3
302.03870	3.5
319.19196	1.1
380.99292	1.8
381.19507	1.9
393.80569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	5.1
55.05301	0.7
57.03317	5.8
58.00469	4.9
59.01251	72.5
61.98698	1.0
66.67028	0.7
69.03316	2.8
69.40720	3.8
69.41139	2.5
71.01254	82.9
72.01588	1.0
72.99180	5.8
73.02817	25.2
73.94238	0.8
74.31943	0.8
74.96465	0.7
75.00737	3.6
82.89469	0.7
83.00803	1.4
83.01263	18.2
85.02825	35.2
85.99937	2.3
86.03150	1.5
87.00740	4.9
89.02317	37.9
95.01274	4.4
97.02806	3.2
98.19820	1.3
99.00759	10.3
101.02322	82.0
102.02657	2.2
111.00759	8.3
113.02333	29.5
115.03918	1.7
117.29174	0.8
119.03381	1.9
125.02346	3.9
129.01855	2.2
131.02475	1.4
131.03398	25.0
131.07045	6.1
137.09602	2.0
139.03847	0.8
139.36923	0.8
143.03389	4.4
149.04445	9.8
157.08557	0.9
159.02827	2.3
159.41354	1.1
161.04459	17.8
191.05450	2.0
194.00372	0.9
195.73174	0.9
205.03465	1.5
215.05568	1.1
231.12303	1.1
233.06711	6.2
245.19139	0.8
249.06100	3.3
249.13406	97.8
250.13741	7.1
255.17470	0.9
273.18469	1.4
275.20071	0.9
293.08502	0.8
293.12369	1.3
326.48932	0.9
337.20197	22.3
338.20523	2.4
346.87396	0.9
381.18234	100.0
382.18509	9.9
392.82422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	3.6
57.03328	3.2
58.00455	1.7
59.01249	35.4
69.03316	1.8
69.71762	1.8
69.72179	0.7
71.01254	46.9
72.01581	0.7
72.99184	3.2
73.02820	17.8
75.00737	0.9
83.01255	11.3
85.02823	25.6
85.06454	0.7
85.99954	1.0
87.00732	2.3
89.02317	13.0
95.01264	2.7
97.02822	1.9
99.00761	8.3
101.02322	50.8
102.02671	1.3
111.00761	3.0
113.02332	18.4
115.03890	0.5
119.03411	0.5
125.02345	2.1
129.01814	1.2
131.02467	0.8
131.03392	9.5
143.03435	2.4
149.04462	2.6
159.02859	2.7
161.04465	16.1
162.04799	0.6
166.41473	0.4
185.00865	0.6
191.05524	2.0
205.03493	0.7
215.05455	0.5
228.74406	0.5
233.06612	1.2
249.13405	100.0
250.13774	6.6
293.12363	1.2
381.17657	26.7
382.18051	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.8
59.01241	0.9
66.93291	0.4
67.01772	0.6
69.03325	100.0
69.46929	3.5
69.50667	0.5
70.03667	2.1
71.01254	1.0
72.99178	1.8
79.01786	2.2
81.64989	0.5
85.02831	1.4
88.21984	0.5
95.01258	2.2
97.02830	19.7
99.00757	23.4
113.02341	0.9
123.00763	1.4
134.03632	5.2
141.01839	8.6
149.05997	0.8
158.41492	0.6
162.15791	0.5
178.02588	0.9
185.00850	37.2
186.01201	1.3
191.08754	0.6
193.05037	4.1
203.01942	0.7
259.92520	0.6
329.84012	0.6
343.53958	0.6
379.06802	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1609
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.06526	1.0
53.09747	1.3
55.01743	1.7
57.03325	2.9
58.00464	5.2
59.01248	88.2
69.03318	3.3
71.01250	74.1
71.32169	2.4
72.01585	1.4
72.99169	5.2
73.02831	5.9
83.01253	3.6
84.33950	1.2
85.02823	16.0
87.00748	3.2
88.35920	1.0
89.02315	100.0
90.02616	1.7
95.01260	3.4
96.95885	13.8
97.02846	1.8
99.00757	3.1
101.02319	42.7
113.02335	24.4
119.03381	30.6
125.02328	2.0
126.68346	1.3
131.03372	12.5
134.70811	1.3
137.09634	2.0
138.01848	2.9
143.03415	6.0
149.04454	20.2
155.10666	4.4
161.04442	6.4
179.05521	21.8
185.00861	1.2
191.05496	3.9
199.09676	7.9
241.00166	5.7
247.11954	7.6
253.22198	1.3
379.06989	2.8
379.16022	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.1
57.03323	100.0
58.03666	1.8
59.01249	77.7
65.46391	0.9
65.68050	0.9
69.02956	1.6
69.03324	23.5
70.86266	2.2
70.86626	1.0
71.01257	11.4
72.99193	1.3
73.02807	5.8
75.00754	1.4
81.03332	1.7
83.01260	4.8
85.02824	7.8
87.00755	1.2
88.67755	0.9
89.02320	1.3
95.01264	1.5
96.95877	1.2
97.02805	4.9
99.00781	6.6
99.04395	74.3
100.04717	2.8
101.02319	32.8
101.38958	0.8
113.02340	6.2
125.02337	20.3
141.01813	2.1
143.03371	1.4
159.02907	1.1
161.04463	3.8
185.00862	9.8
235.11829	32.1
236.12125	2.1
277.12888	1.5
297.65366	0.9
317.15912	0.9
374.18628	1.1
379.15985	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65296	1.6
55.01747	4.4
57.03327	100.0
58.03632	1.4
59.01251	89.0
65.38886	1.5
67.78104	1.6
69.03326	56.3
70.40269	4.8
71.01258	21.8
72.99200	2.4
73.02807	6.4
81.03319	1.9
83.01253	4.5
85.02824	12.2
89.02316	5.9
95.01255	4.7
96.40540	1.5
96.95892	5.1
97.02823	12.2
99.00759	16.9
99.04393	72.3
100.04707	2.0
101.02322	33.3
103.76399	1.6
113.02316	9.1
125.02334	18.6
129.01794	2.0
131.59679	1.5
139.22676	1.7
141.01836	3.5
143.03380	2.5
150.56389	1.5
159.02840	2.1
161.04451	6.8
178.67296	2.0
185.00832	18.8
191.05559	1.9
203.01912	3.0
217.14284	3.1
235.11867	33.4
236.12270	2.3
307.13058	1.4
347.30399	1.8
379.07120	3.0
379.15842	6.5
379.20178	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1454
Annotation	Lamiol
Peak:m/z	Relative Intensity
59.01255	83.7
70.01955	16.1
71.01254	37.6
72.99177	4.2
73.02810	6.0
75.75336	3.3
85.02818	5.6
89.02322	28.1
96.95885	3.9
101.02316	16.5
113.02341	11.2
119.03384	13.6
135.04413	34.1
135.08069	4.2
141.05460	4.7
148.05215	3.0
153.09131	100.0
159.23268	3.3
179.05537	4.7
197.08113	29.1
198.08344	4.6
215.09213	9.5
225.43166	3.5
262.79129	3.3
288.13406	3.6
377.14551	95.3
378.14911	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50335	0.3
51.02272	0.4
55.01759	3.4
59.01250	2.4
66.16841	0.3
66.24322	0.3
67.01769	0.5
69.03327	100.0
69.25125	2.5
69.25531	0.6
70.03653	2.3
71.01250	1.4
72.99183	1.8
73.02806	0.3
79.01753	1.9
79.95576	0.3
85.02834	2.0
85.84872	0.3
87.00788	0.4
95.01271	2.8
96.95902	2.1
97.02832	17.0
98.03145	0.5
99.00758	23.6
100.01079	0.4
101.02345	0.4
111.00792	0.5
113.02326	1.0
117.03377	0.5
120.99543	2.4
123.00780	1.1
134.03648	6.0
141.01860	6.8
149.06009	0.6
159.01414	0.3
165.14578	0.3
178.02643	0.6
185.00847	34.8
186.01250	1.5
190.15311	0.4
193.04987	3.6
203.01917	0.9
299.01868	0.3
341.10742	0.4
378.29431	0.5
379.06644	2.9
379.14169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01751	1.8
57.03329	1.3
58.00465	3.1
59.01249	100.0
60.01580	1.1
61.03960	0.7
64.68662	0.8
70.86570	1.2
70.86942	2.1
71.01251	52.1
72.99183	4.5
73.02822	2.4
83.01274	4.1
85.02821	12.8
87.00766	1.7
89.02316	61.0
95.01265	3.3
96.95865	4.0
101.02322	38.6
113.02327	21.7
119.03385	29.1
120.03738	0.9
131.03410	2.1
143.03423	3.3
149.04459	1.3
161.04489	2.1
168.04224	0.9
176.05017	0.7
179.03458	0.8
179.05524	3.2
193.12242	7.9
211.08662	0.9
223.08667	0.9
229.17969	1.0
267.65433	0.8
337.09534	0.9
343.12961	1.2
363.92917	0.7
373.14108	2.0
373.18607	34.7
373.23309	1.7
374.18881	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.6
61.98700	0.3
62.58687	0.2
71.62280	0.2
72.92644	0.3
80.81670	0.2
96.95812	0.2
101.05947	1.1
124.07576	0.7
124.78965	0.2
127.49741	0.2
165.10208	0.2
189.10246	0.4
217.00310	0.2
232.10863	9.5
233.11215	0.9
260.10483	0.3
272.17487	0.3
289.17969	1.7
290.18735	2.7
291.19168	0.3
316.16516	1.2
318.18362	0.3
358.21603	1.0
374.24460	100.0
375.24774	12.9
375.28394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23010	0.6
61.56296	0.7
63.57846	0.5
71.00341	1.4
74.98935	2.6
76.54861	0.6
93.00014	1.9
127.91898	0.6
149.00887	1.2
159.08377	12.4
161.06302	3.2
190.54884	0.6
192.98027	1.2
209.01193	2.4
217.07028	1.0
229.48816	0.6
275.05884	1.2
277.07584	3.8
282.81271	0.7
289.07605	2.1
291.09100	94.3
292.09219	12.1
309.10156	1.9
320.55948	0.7
357.13739	2.2
359.15341	100.0
360.15460	17.0
375.18393	5.9
376.18741	1.5
377.16183	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87885	1.3
58.37746	1.5
59.01249	25.1
60.26505	1.3
69.60404	1.5
69.86990	6.9
93.03329	1.8
95.04894	35.6
98.19921	2.1
99.92438	2.6
130.68948	1.4
150.02832	2.0
179.14314	1.6
189.05219	2.8
195.13838	9.8
223.13347	8.8
246.12303	14.4
256.13126	2.2
275.20084	6.5
278.11328	90.8
279.11700	4.4
293.21219	100.0
294.21655	10.3
315.19406	18.5
316.19815	3.3
336.50330	1.7
338.12106	9.0
375.21274	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61156	1.9
59.01250	45.8
69.87296	13.1
95.04923	3.7
109.06478	2.3
121.10106	22.2
152.75380	2.2
171.10187	57.5
172.10541	3.6
183.13844	5.5
200.62511	2.6
231.21159	5.3
275.20151	100.0
276.20459	10.0
278.11353	10.1
293.21207	92.2
293.24500	4.2
294.21555	9.2
297.18503	2.3
315.19409	47.8
316.19638	5.4
345.46140	2.5
359.18326	9.9
375.21298	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41951	3.8
52.41718	3.3
55.11789	4.0
59.01251	26.2
64.65868	3.7
70.63764	4.2
71.01263	27.9
71.35857	3.5
71.36195	6.5
85.20896	4.1
89.02320	45.7
101.02330	22.1
113.02335	14.5
119.03376	18.9
132.68341	5.3
147.49330	4.2
175.18077	4.0
179.05534	22.3
194.95969	4.2
215.03241	24.4
341.10852	100.0
342.11404	4.1
377.08545	54.3
401.37125	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.7
60.84499	0.6
63.02264	3.1
65.00197	3.1
69.03290	0.7
70.31553	0.5
71.01218	1.3
71.53829	0.9
73.02796	0.7
78.95711	0.6
79.95606	3.0
83.01251	2.9
85.02801	0.6
86.60721	0.5
89.02300	0.8
90.19797	0.7
95.95057	1.8
96.95895	4.8
101.02267	0.6
107.01261	6.5
109.02893	0.5
111.00687	0.7
123.00675	0.7
123.04401	0.6
124.01510	1.1
125.02319	1.0
132.01984	1.0
133.02753	0.8
134.03600	1.2
151.00275	25.1
152.01051	6.4
158.03624	0.6
160.01572	4.3
161.01941	0.8
163.00281	1.0
167.03374	1.5
169.01260	1.8
175.03926	4.2
176.04221	2.1
177.01860	1.2
178.98436	0.8
178.99779	10.3
183.04420	0.8
184.49496	0.6
192.00471	0.6
193.04929	1.2
195.02925	1.2
203.03506	1.1
226.02628	0.8
227.03410	2.1
241.05080	0.9
242.02148	20.1
243.02986	5.7
255.02975	1.4
257.08609	0.7
269.04578	0.7
270.01654	10.3
271.02472	31.9
272.02814	2.7
282.01706	3.6
283.02350	1.1
284.03271	4.1
285.04034	38.0
286.04617	6.7
298.01050	0.7
299.01971	35.1
300.02661	6.0
301.07147	0.7
309.03964	1.5
310.04370	2.8
311.05579	2.2
312.05826	1.9
313.03522	24.4
314.04276	20.7
315.05008	7.0
337.09244	1.9
337.38120	0.7
338.09610	1.6
341.10934	1.3
345.06131	100.0
345.58017	1.2
346.06470	9.5
353.06494	1.4
354.06918	1.1
376.59906	1.0
377.08780	21.1
378.09085	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01595	0.8
70.97405	0.5
71.01252	9.5
71.95103	0.6
73.02832	1.8
79.95599	0.8
80.96405	0.7
83.01279	0.7
85.02827	3.6
87.00776	1.5
95.01280	0.7
96.95895	12.3
98.95473	1.1
99.00768	1.4
101.02318	5.9
113.02317	5.2
114.29102	0.5
125.02364	0.9
129.11302	0.5
138.96965	0.6
149.09622	46.9
150.10005	1.9
159.02930	1.3
161.04474	12.4
166.75302	0.5
176.04129	0.9
179.03481	0.8
183.72534	0.6
191.05530	1.5
209.08189	0.6
243.52510	0.6
283.13416	1.4
327.16245	0.8
343.15668	1.0
371.13861	10.8
371.24387	1.1
372.14478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43280	0.4
59.01252	100.0
60.01589	0.9
69.03333	0.5
69.36360	3.3
71.01253	9.9
73.02824	2.7
83.01276	0.9
85.02810	3.5
89.02332	0.8
96.95913	1.1
98.19801	0.9
99.00792	1.3
101.02320	5.1
113.02341	4.8
143.03427	0.6
149.09625	44.9
150.09909	2.2
159.02954	1.3
161.04475	12.8
179.03532	0.8
191.05615	0.6
205.03508	0.7
206.89717	0.4
233.27357	0.5
283.13513	1.9
311.15109	0.5
327.15918	0.7
371.14209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.7
55.01996	0.7
57.03315	3.3
58.00457	1.5
59.01254	36.2
65.03117	0.6
69.03308	1.2
69.42825	5.5
71.01256	31.1
72.99196	3.5
73.02818	10.0
75.00742	1.5
83.01260	9.2
83.04875	1.3
85.02824	15.9
85.99963	1.4
87.00764	1.9
89.02320	12.3
95.01244	2.6
96.95881	1.4
97.02819	0.9
98.19835	1.6
99.00764	4.2
101.02325	30.4
102.02675	0.9
111.00748	1.4
113.02336	11.3
119.03390	7.7
124.98692	1.9
125.02314	1.2
127.03908	0.9
133.63849	0.8
134.17668	0.7
139.00284	0.7
147.04384	1.6
152.98244	3.9
152.99379	0.7
153.98926	3.2
154.02603	0.8
159.02870	1.3
161.04483	3.8
161.05743	0.8
168.00551	1.3
169.01376	6.5
175.07590	0.8
176.15050	0.8
179.03471	1.3
191.05585	0.9
193.12215	0.9
249.92842	0.7
278.54489	0.8
313.16510	2.7
329.13809	4.3
329.19635	1.1
331.17603	2.8
373.08105	3.2
373.18665	100.0
373.25357	5.2
374.14417	1.1
374.18964	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01768	2.2
57.03321	1.9
58.00451	0.7
59.01249	23.3
69.03310	0.6
69.31631	1.6
69.32053	2.1
71.01249	16.0
72.99182	1.9
73.02823	6.0
75.00758	0.5
81.91380	0.4
83.01249	4.8
85.02824	9.4
85.03316	0.3
85.99950	1.6
87.00751	1.4
89.02313	5.2
95.01258	1.8
96.95898	2.7
97.02815	0.5
98.20507	0.7
99.00759	2.0
101.02316	15.2
111.00758	0.9
113.02328	5.7
115.20992	0.4
119.03381	1.9
120.02105	0.4
131.07700	0.4
152.01059	0.6
159.02844	0.5
161.04495	1.0
176.04034	0.4
179.34570	0.5
191.05566	1.2
193.12201	0.7
208.60533	0.4
211.13422	0.6
225.11349	0.6
299.18866	0.5
373.18652	100.0
374.18951	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1346
Annotation	Multifidol glucoside
Peak:m/z	Relative Intensity
52.61630	0.2
58.69135	0.2
58.95175	0.2
59.01258	1.2
65.03842	0.6
71.01271	0.2
72.68080	0.2
79.05434	0.3
79.95616	0.4
87.20566	0.2
89.03851	0.8
93.03381	0.4
95.04915	0.5
96.95895	2.6
102.23222	0.2
105.03348	1.0
107.04929	0.3
123.04412	0.9
133.02814	1.1
135.04401	0.5
137.02298	0.2
151.00305	0.4
151.03909	3.5
152.04323	0.2
153.01807	0.5
161.02353	13.5
162.02742	0.5
167.03415	0.3
176.04626	0.2
178.02597	0.5
178.13744	0.2
179.03421	70.2
180.03760	3.3
185.63736	0.2
193.04947	1.2
194.05774	45.9
194.98500	0.2
195.06084	2.2
209.08134	100.0
210.08464	5.4
231.66942	0.2
329.09106	1.6
371.09814	0.6
371.13724	3.4
372.13937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1349
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
51.24122	0.4
55.56235	0.5
58.00470	0.8
59.01252	100.0
60.01593	1.3
69.31420	3.7
71.01260	6.3
72.97415	0.7
72.99208	0.8
83.01300	0.5
85.02847	1.5
87.00757	0.6
89.02316	6.1
96.95918	1.5
101.02306	3.3
113.02351	2.1
119.03374	2.5
130.07799	0.4
130.08607	2.6
175.69902	0.5
194.05801	0.6
209.08131	0.7
209.11752	1.0
212.47093	0.4
220.92537	0.4
371.13483	7.8
371.23361	1.1
372.13754	0.5
372.21136	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99480	1.2
59.01246	2.6
61.23694	0.3
63.30099	0.3
65.03856	0.5
70.76358	0.9
85.02827	0.3
88.26454	0.4
89.03828	0.9
93.03339	0.3
96.95901	1.1
102.98474	5.4
105.03355	0.9
107.04904	0.4
118.64822	0.3
122.95107	0.3
123.04401	1.0
125.02303	0.5
133.02856	0.9
135.04396	0.3
151.03932	3.1
153.01830	0.8
156.05420	0.3
161.02341	13.0
162.02695	0.7
166.02620	1.3
167.03227	0.4
178.02608	0.7
179.03416	72.3
180.03719	4.3
193.04985	1.6
194.05774	60.5
195.06108	2.8
209.08130	100.0
210.08490	5.6
287.07959	0.3
308.20532	0.3
371.13672	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1345
Annotation	Multifidol glucoside
Peak:m/z	Relative Intensity
56.44359	0.3
59.01247	0.7
65.03840	0.5
71.33745	0.7
89.03857	0.6
93.03320	0.6
95.04930	0.6
99.98164	0.4
105.03347	1.8
107.04916	0.3
116.58460	0.3
123.04427	1.2
133.02859	1.5
135.04504	0.4
135.13580	0.4
138.77808	0.3
151.03925	4.9
153.01750	0.4
161.02353	17.6
162.02724	0.6
176.04726	0.4
178.02707	0.8
179.03423	100.0
180.03755	5.3
193.04990	2.1
194.05783	81.5
195.06143	4.9
209.08136	66.8
210.08426	3.5
314.86966	0.4
335.76642	0.3
371.13480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Multifidol glucoside
Peak:m/z	Relative Intensity
53.64470	0.3
55.00775	0.3
59.01249	2.4
69.24097	2.1
69.24519	0.8
71.01250	1.4
73.02837	0.5
75.63147	0.3
79.05391	0.4
82.99882	0.3
85.02841	0.7
89.02328	0.6
89.03816	0.7
92.35133	0.3
93.03346	0.7
95.04915	0.7
96.95895	3.4
101.02343	1.2
105.03344	1.4
107.04900	0.4
113.02342	0.5
117.03372	0.5
123.04428	1.0
133.02835	1.7
135.04456	0.6
151.03900	3.6
153.01825	0.5
161.02345	16.2
161.04504	0.8
162.02679	0.4
165.05476	0.3
178.02649	1.2
179.03415	84.7
180.03754	4.6
193.04973	1.1
194.05774	62.5
195.06149	2.8
208.07402	0.4
209.08130	100.0
210.08459	6.4
214.75513	0.4
241.00250	0.4
371.13449	3.5
372.13824	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.3
59.01253	4.0
59.49911	0.2
63.96092	0.2
67.77790	0.2
71.01241	1.4
72.99164	0.5
73.02819	0.5
74.71873	0.3
79.21495	0.2
79.95611	2.8
80.96397	1.5
83.01254	0.7
85.02814	1.0
87.00745	0.6
95.95116	0.4
96.95886	100.0
97.95811	0.3
101.02328	1.7
112.05584	0.3
113.02305	0.4
122.97440	0.9
135.04443	0.4
135.98166	0.5
138.96944	0.6
143.03531	0.3
150.96971	0.9
152.98512	0.8
173.04506	0.3
176.03928	0.6
179.03406	1.0
180.98062	2.9
186.06819	0.3
187.07452	0.4
191.05547	1.4
194.05844	0.5
209.08150	0.7
211.07515	0.4
212.23540	0.2
229.08611	0.4
241.00174	4.2
251.16484	0.2
274.08521	0.3
285.11472	0.2
311.22253	0.8
327.16013	0.4
329.23291	2.9
343.15338	0.6
371.13800	93.0
372.14151	7.3
372.98151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0771
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
52.90795	0.4
55.35772	0.4
59.01251	12.7
69.32280	3.1
69.32685	0.9
87.00739	2.1
91.75442	0.4
96.95892	0.6
108.78442	0.5
121.02844	100.0
122.03173	4.1
135.04451	0.4
158.03638	0.8
159.04372	0.7
161.02292	0.5
172.05197	0.6
177.01872	0.5
179.03415	12.0
179.04936	0.7
180.03726	0.9
181.06602	0.5
182.03625	0.7
186.06805	0.9
187.07594	1.5
194.05711	0.7
200.04883	0.5
201.05455	1.4
201.08986	0.6
209.08200	1.1
211.07533	1.2
214.06404	1.6
215.07076	1.8
225.05511	0.7
229.08641	1.6
230.09470	0.8
239.07137	0.6
251.03477	0.5
274.08539	1.7
283.06122	0.4
371.07693	12.8
372.08188	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59719	0.7
55.01756	1.0
57.03320	2.5
58.00452	0.7
59.01251	16.8
67.01741	1.2
68.99696	2.2
69.03333	1.3
69.48664	1.9
69.49068	4.3
71.01256	17.3
72.99171	5.9
73.02808	2.5
75.00743	20.3
78.41938	0.8
81.03344	0.8
83.01250	1.4
85.02824	19.8
87.00755	7.6
89.02309	5.7
93.03342	1.7
95.01270	6.8
96.95901	2.4
98.20566	1.4
99.00750	10.0
103.00251	2.3
111.00759	1.2
113.02327	26.3
115.00232	2.2
117.01828	3.2
121.02842	100.0
122.03165	3.0
129.01833	1.2
157.01346	1.5
166.06117	0.7
175.02356	2.1
189.03963	1.4
191.05479	1.0
206.44911	0.8
209.08147	1.3
231.05049	7.2
249.06128	67.9
250.06459	3.5
353.08548	0.9
371.09799	45.8
371.23178	1.2
372.10156	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1344
Annotation	Multifidol glucoside
Peak:m/z	Relative Intensity
59.01250	16.5
77.50169	0.4
89.03839	0.7
93.03300	0.7
98.20647	1.1
102.98466	1.2
105.03345	1.0
107.04899	3.0
114.59562	0.4
120.89841	0.4
123.04417	1.5
125.02390	0.6
133.02841	1.1
135.04411	0.6
137.02339	1.0
151.00215	0.7
151.03915	3.8
161.02348	14.7
162.02728	0.8
163.00363	0.7
164.03445	1.7
177.01816	1.2
178.02621	1.0
179.03419	80.0
180.03732	4.3
193.04965	1.4
194.05783	50.2
194.61472	0.5
195.02974	0.4
195.06128	2.5
209.08141	100.0
210.08482	6.1
216.61804	0.5
220.02307	0.5
313.03189	0.6
314.04196	0.5
331.04614	0.9
371.13507	4.0
372.07077	1.6
372.13791	0.8
374.40558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16645	2.2
57.03307	7.0
58.00445	3.3
59.01250	40.3
63.84619	2.3
71.01251	31.1
71.52527	3.0
71.52879	2.7
71.79541	2.4
72.99168	3.2
77.60846	2.2
83.01246	3.6
85.02819	7.4
87.00722	3.5
89.02312	39.2
93.03337	5.8
95.01241	3.3
97.02814	8.8
101.02323	100.0
107.04895	8.3
108.97607	2.4
109.79048	2.4
113.02333	14.4
119.03387	18.4
121.06411	2.7
123.04415	3.9
151.03825	2.4
161.04442	2.8
163.00249	2.6
163.07538	6.3
173.04491	4.0
189.05493	3.4
190.99748	7.7
191.05521	10.7
192.00584	17.7
196.09354	2.5
206.02202	2.3
207.02930	22.8
242.23289	2.6
314.46573	2.4
369.08176	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49189	0.2
59.01003	0.2
59.01253	1.5
66.56559	0.2
68.26597	0.2
71.01253	0.7
71.53809	0.3
73.02770	0.2
78.49861	0.2
79.95613	0.3
80.96393	0.2
85.02832	0.2
88.41139	0.2
88.79366	0.2
92.04095	0.2
93.03326	0.5
96.95890	4.9
97.02821	0.3
101.02332	0.3
102.41341	0.2
123.04402	0.9
127.76167	0.2
135.04448	0.3
138.03079	0.3
150.06775	0.5
163.07574	0.6
164.04758	0.3
165.09125	100.0
166.09457	6.3
173.04488	0.5
178.02539	0.2
179.03357	0.2
190.44225	0.2
191.05643	0.3
194.26718	0.2
241.00237	0.2
256.99789	0.2
294.63354	0.2
298.07663	0.2
309.13586	0.3
362.55765	0.2
369.08160	0.4
369.12027	3.1
370.12280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.9
57.03312	2.3
58.00461	2.8
59.01250	100.0
60.01582	0.9
69.03311	3.3
71.01253	45.5
71.52906	1.5
72.99171	3.2
73.02817	34.9
75.00751	1.0
79.95595	1.9
81.03337	1.0
83.00802	1.2
83.01257	13.0
85.02823	13.6
87.00746	7.4
89.02314	13.0
93.03323	1.3
94.42398	0.8
95.01260	2.2
96.95885	2.1
97.02823	2.9
99.00777	4.5
101.02320	34.9
102.02644	0.8
111.00751	1.4
111.04382	0.8
112.01564	0.9
113.02337	17.5
117.01820	0.7
119.03404	4.9
121.02834	6.5
122.03607	2.4
125.02306	2.1
128.37146	0.9
129.01836	2.4
131.03392	2.0
133.06442	2.8
135.08057	1.6
141.01810	1.0
143.03383	2.6
147.08034	6.8
149.02443	0.9
149.04504	1.7
149.06001	3.2
149.09625	59.7
150.09979	3.9
155.03391	2.1
161.04456	4.4
161.09595	2.5
163.07565	2.4
163.11188	1.7
164.08322	13.0
165.09122	73.8
166.09425	3.6
173.09668	1.3
177.09106	1.4
179.06953	0.9
179.10643	0.8
185.00647	0.8
189.09134	8.4
191.05524	1.8
191.10718	5.6
195.81119	0.8
201.09103	1.4
203.10681	1.4
207.10205	17.2
207.13754	1.4
215.10645	2.2
219.10175	2.7
231.10324	1.1
249.11261	1.9
267.12460	1.0
291.12326	2.5
309.10083	1.3
309.13452	24.9
310.13687	2.8
315.05109	1.3
327.14459	52.0
328.14822	4.1
369.15503	21.8
369.19284	1.0
370.15857	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09903	0.4
55.01758	4.1
56.17593	0.3
57.03324	3.5
58.00465	1.3
59.01248	28.1
68.99701	0.4
69.03307	0.9
71.01253	37.2
71.04879	0.8
71.07677	0.7
71.08008	0.5
72.99175	2.9
73.02816	16.5
73.06451	0.7
73.44406	0.4
74.47101	0.4
75.00735	0.9
75.88654	0.3
83.01255	10.4
85.02821	23.2
85.99968	1.1
87.00758	1.8
89.02321	5.4
90.46992	0.4
93.03333	0.4
93.97726	0.4
95.01258	2.5
97.02838	1.4
99.00755	7.6
101.02321	43.1
102.02653	0.9
111.00751	1.5
113.02333	14.4
114.02623	0.4
125.02339	1.8
125.38203	0.4
129.01819	1.0
131.03387	0.7
143.03400	1.6
149.04446	0.5
159.02902	3.1
161.04460	14.6
162.04668	0.4
180.51997	0.3
191.05544	1.5
205.03450	0.6
235.11832	100.0
236.12181	4.0
279.10843	1.4
307.10312	0.4
307.41013	0.4
367.16028	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2641
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.01238	1.3
69.35299	1.1
72.77219	1.0
103.32728	1.1
133.06470	9.0
149.09619	80.2
150.09979	3.9
205.15901	47.8
206.16309	4.2
229.29591	1.4
295.16998	2.4
328.16827	1.9
362.46545	1.2
367.26404	100.0
368.26767	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90429	0.7
55.29285	0.8
55.40304	0.9
57.03337	1.2
59.01250	35.2
60.99181	6.8
67.01765	13.8
67.16923	0.7
69.03316	4.7
70.74698	2.1
71.01257	6.7
72.99165	1.0
73.02803	1.8
78.36655	0.8
81.03322	2.4
83.04904	2.4
84.74316	0.8
85.02835	2.9
87.00754	23.7
87.31087	0.8
90.54430	0.8
93.03336	100.0
94.03670	2.5
99.00746	2.4
99.04390	1.4
101.02296	2.7
107.01044	0.9
109.02836	1.2
111.00769	3.2
111.04397	14.7
113.02317	4.4
121.02825	1.2
129.01826	3.4
134.03636	28.4
134.04652	1.5
135.03940	1.4
137.02330	1.5
143.03365	1.9
149.02444	0.9
149.06027	1.9
155.03421	2.9
161.04480	1.1
161.11269	0.9
173.04472	71.2
174.04782	2.5
191.05565	7.5
193.04984	11.6
297.20001	0.8
307.17648	2.4
367.10333	40.8
367.17923	1.8
368.10663	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38914	0.7
55.01757	6.5
57.03318	5.1
58.00461	3.5
59.01250	70.9
60.14594	0.7
69.03325	2.0
69.93003	3.9
70.06950	0.8
71.01254	73.8
72.01560	1.2
72.99177	5.6
73.02821	21.0
77.05457	0.7
80.27171	0.8
83.01257	14.9
85.02823	29.3
86.13422	0.8
87.00759	4.0
89.02316	33.9
95.01273	2.4
97.02823	2.2
98.19832	1.0
99.00748	8.6
101.02322	64.6
102.02675	0.9
111.00778	4.9
113.02328	18.9
115.03919	1.6
119.03333	0.9
125.02317	3.0
129.01875	2.0
131.03400	23.5
131.04388	1.1
134.03636	4.5
143.03427	3.6
149.04488	8.7
159.02943	3.7
161.04463	17.6
173.04475	1.4
187.06128	1.0
191.05585	3.3
192.91075	0.9
193.05013	3.3
193.98985	0.8
205.03452	1.7
215.05612	1.0
217.10904	1.2
233.06534	4.1
235.11835	100.0
236.12241	5.9
240.56873	0.8
279.10910	1.0
316.95511	0.8
367.16074	63.1
368.16583	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1035
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
52.57348	0.6
55.77568	0.6
57.03330	0.8
59.01240	2.4
60.99169	2.4
67.01759	8.0
69.03319	2.1
70.80511	0.7
70.80870	1.5
71.01257	3.1
73.44086	0.5
78.98106	0.5
81.03333	1.4
83.04894	0.6
85.02818	7.8
86.60117	0.6
87.00757	11.0
93.03336	46.2
94.03674	1.4
99.04403	1.0
105.97351	0.7
109.02800	1.2
111.04411	6.0
113.02363	0.7
117.03338	1.5
124.99044	0.5
127.03891	2.3
129.01834	1.8
134.03635	19.7
135.03958	0.7
137.02348	0.8
149.06001	1.9
155.03407	1.4
160.01660	0.7
160.45795	0.6
173.04480	9.4
174.04922	0.7
175.03949	1.0
179.82706	0.6
187.25302	0.6
191.05544	100.0
192.05899	3.6
193.05013	8.0
367.10437	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81630	0.4
55.01753	1.0
57.03313	0.9
57.39784	0.4
58.00450	1.1
59.01251	32.1
59.66127	0.3
60.01571	0.5
69.03327	5.9
71.01253	16.3
71.37063	0.5
72.95616	0.4
72.99184	1.9
73.02804	1.4
83.01242	1.6
85.02815	4.3
86.00008	0.4
87.00738	1.5
89.02318	13.8
95.01245	1.6
96.95899	2.2
97.02843	2.3
99.00729	1.5
101.02321	11.4
113.02329	5.1
119.03387	4.8
127.11198	2.9
135.03529	0.4
135.04379	2.2
139.11205	0.5
145.07622	1.2
155.10661	1.2
157.10942	0.9
157.12244	16.6
158.12527	0.6
160.06325	2.7
161.04442	0.7
161.07130	3.9
171.13779	1.1
175.08684	0.9
179.03415	1.7
179.05539	0.7
181.08620	0.7
185.00854	2.5
185.11845	1.8
187.08751	0.9
187.13327	2.1
189.06631	5.4
191.05507	1.0
199.13298	1.5
201.10257	1.2
203.01909	5.6
203.12845	40.1
204.13191	2.2
229.09753	2.4
245.13908	1.1
277.11835	0.4
305.11432	5.6
306.11804	0.6
365.18124	100.0
366.18463	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28918	16.0
59.01244	62.6
64.76884	19.3
69.94791	100.0
82.47351	16.7
104.67817	18.3
106.80415	21.4
108.82862	16.5
128.59807	17.5
132.01688	18.5
139.04965	20.4
182.95908	17.3
192.88614	18.8
196.36928	17.2
315.60162	18.8
317.22821	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36103	0.5
55.01750	1.0
57.87662	0.5
58.00454	0.5
59.01251	48.2
59.22073	0.5
60.01588	0.6
61.22772	0.5
61.98699	0.8
69.03326	6.1
70.94804	0.5
71.01249	11.2
72.99182	1.2
73.02820	5.6
77.96055	0.5
83.01258	1.5
85.02824	1.6
89.02328	1.0
91.50075	0.5
95.01239	0.6
96.95876	1.9
97.02834	3.7
98.95509	0.6
99.00782	1.4
101.02321	3.4
113.02344	2.3
114.76901	0.5
115.07528	1.3
117.72108	0.5
122.92765	0.5
125.02385	0.7
135.04414	2.7
135.09213	1.1
145.07602	9.8
146.04778	1.1
159.05605	0.8
159.09178	2.0
160.06332	29.0
161.07117	59.1
162.07414	2.1
171.09212	1.0
173.07118	0.7
173.10738	2.7
175.08688	37.6
176.09015	2.3
179.03397	1.7
185.00821	1.9
185.10773	1.9
186.08017	0.6
187.08725	7.2
188.09007	0.9
189.06622	68.9
190.07005	3.9
199.08759	0.8
201.10274	12.6
202.10602	0.9
203.01918	8.2
203.08199	30.0
203.11797	17.7
204.08527	1.6
204.12177	1.5
211.08635	0.8
217.09714	1.3
227.08162	0.8
229.09795	30.0
230.10007	2.2
245.09341	1.3
246.09811	0.6
277.11948	7.5
278.12314	0.7
287.10434	1.3
305.11438	100.0
306.11731	10.8
323.12408	2.1
365.13831	3.0
365.18161	6.8
366.18481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66497	0.8
51.95801	0.8
59.01250	100.0
60.01588	1.7
69.03319	1.7
71.53148	1.0
96.95899	0.9
161.02364	3.1
162.15236	0.8
179.03429	1.0
203.01930	2.2
285.04282	1.3
291.02405	0.8
308.69742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61119	1.3
54.01472	1.4
55.01754	4.0
57.03312	1.7
58.00448	2.2
59.01254	81.5
62.74824	1.4
63.45362	1.4
69.03327	64.1
71.01254	46.5
72.99184	8.2
73.02817	3.9
75.00764	2.5
82.53512	1.4
83.01240	3.6
85.02824	12.2
87.00767	5.2
89.02319	43.9
95.01265	4.2
97.02830	29.9
98.03104	1.8
99.00766	12.9
99.04430	1.7
101.02319	31.7
102.02655	1.7
113.02328	18.8
115.00256	3.7
119.03391	22.8
119.07230	1.4
123.89903	1.4
129.01817	2.0
131.03421	1.8
135.04411	21.1
141.01833	6.6
143.03387	2.2
149.04436	1.9
161.04446	3.0
165.56668	1.5
168.23549	1.4
179.03419	17.7
179.04828	1.8
179.05632	2.2
185.00856	19.5
185.11729	5.1
203.01920	100.0
203.12845	3.5
204.02251	5.4
347.17163	3.9
365.18146	90.1
366.18497	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01602	1.0
64.17145	0.3
70.71912	0.4
70.93940	0.8
71.01250	0.5
71.84794	0.4
73.02826	0.8
79.95615	0.5
85.02830	0.5
96.95886	5.8
96.96436	0.6
101.02326	1.2
151.00247	0.5
363.07486	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76004	0.4
59.01250	100.0
60.01587	1.2
69.03342	0.8
71.01262	1.2
71.52546	0.6
73.02798	0.7
73.60530	0.4
79.95611	0.5
80.96362	0.4
85.02865	0.5
85.70238	0.4
87.07382	0.4
89.02325	1.0
96.70625	0.3
96.95882	7.8
98.53703	0.3
101.02334	1.2
111.00724	0.3
112.19927	0.3
119.03402	0.5
140.83138	0.4
191.05667	0.4
214.67146	0.4
229.68874	0.4
241.00298	0.4
306.61096	0.4
363.07492	6.9
363.11636	0.5
363.16367	1.6
364.08020	0.5
389.84326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.9971
Annotation	Kaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
59.01241	1.3
65.65727	0.3
69.03305	0.8
69.42673	2.3
69.49301	0.3
71.01253	0.7
71.30760	0.3
79.95596	0.7
83.01260	0.6
89.02338	0.4
91.01762	0.6
93.03339	2.5
95.01234	0.4
97.70012	0.3
99.00694	0.4
107.01266	1.6
108.02035	0.4
109.02840	0.9
110.50335	0.4
115.07535	0.9
117.03356	0.5
131.04921	0.6
135.00766	1.3
143.04950	1.5
145.02859	0.5
153.01865	0.3
154.04134	0.7
155.04919	0.3
156.05669	0.5
157.06458	0.9
159.04407	1.8
163.00308	2.1
167.04942	0.8
168.05707	0.4
169.06441	1.0
171.04385	1.0
173.02304	0.5
183.04483	0.6
185.06021	2.9
187.03929	4.0
189.05499	1.2
195.04333	0.6
195.74170	0.3
196.05183	0.3
197.05960	1.1
199.03964	0.8
201.05527	0.8
203.01884	1.1
211.03906	2.3
213.05548	1.6
214.02585	0.5
215.03337	0.6
227.03448	2.9
228.04094	0.3
229.05009	12.7
229.07288	0.7
230.05298	1.0
239.03435	1.2
240.04211	1.1
241.05045	1.5
255.02795	0.9
256.03720	1.0
257.04517	6.1
258.04926	0.6
267.02911	1.0
285.04031	100.0
286.04422	7.8
364.99704	4.9
365.14279	0.5
365.18362	0.5
365.99747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45192	1.2
53.85220	1.5
55.01759	2.2
59.01245	16.9
69.03323	55.2
70.27813	5.1
71.01248	9.9
72.99187	4.2
76.91241	1.3
78.82599	1.3
79.01746	1.7
85.02832	2.9
87.00771	2.9
89.02320	5.1
89.38976	1.4
95.01270	2.7
97.02837	25.0
99.00751	13.3
101.02319	5.0
113.02308	3.5
115.00233	2.1
119.03397	2.3
129.01834	1.4
130.76746	1.3
135.04408	15.3
141.01852	5.7
145.34009	1.4
147.68938	1.5
179.03407	19.7
185.00845	23.1
191.05444	2.6
203.01903	100.0
204.02176	2.6
215.55527	1.4
276.52484	1.4
331.34128	1.6
365.04459	1.7
365.18140	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.9
57.03317	0.5
59.01250	3.0
62.36869	0.3
62.55965	0.3
67.01746	0.8
69.03327	60.8
69.70412	2.1
70.03661	1.2
71.01249	7.3
72.99192	2.5
73.02803	0.4
75.00752	1.4
79.01775	1.9
83.01269	0.5
85.02818	2.4
87.00758	2.8
89.02316	0.4
95.01275	2.7
96.95895	2.4
97.02829	27.3
98.03134	0.5
98.20519	0.7
98.95464	0.3
99.00758	14.0
103.87189	0.3
105.17598	0.4
111.00780	1.1
113.02328	1.6
115.00248	2.5
115.07520	2.3
119.31149	0.3
123.00776	1.5
129.01849	1.0
134.03665	1.0
135.04417	19.6
136.04744	1.0
141.00731	0.4
141.01826	7.1
145.74770	0.3
152.52063	0.3
159.02901	0.7
161.02415	0.3
179.03427	16.2
180.03772	0.7
185.00839	21.5
186.01176	0.6
191.05365	0.4
195.82796	0.3
203.01909	100.0
204.02255	3.5
250.07130	0.4
282.96255	0.3
365.04852	0.6
365.14401	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12799	0.9
55.01756	1.7
57.03319	1.9
58.00460	1.5
59.00949	2.0
59.01248	30.5
69.26866	5.7
69.27291	3.2
71.01254	16.4
72.99178	1.0
73.02821	7.9
83.01269	3.8
85.02831	9.0
87.04385	2.6
89.02329	3.9
93.03342	1.1
93.66470	0.9
99.00771	2.4
101.02306	10.5
101.02793	0.9
113.02322	4.8
121.02871	4.2
122.03675	2.2
124.01649	0.9
137.09637	4.4
147.04462	1.5
155.10687	28.2
156.11032	1.9
161.04477	1.1
165.05489	5.5
173.47850	1.0
179.07050	1.1
181.12309	1.2
183.13876	1.9
183.81207	0.9
199.09680	31.2
199.13327	37.0
200.10016	2.3
200.13744	2.6
209.11781	14.7
210.12143	1.8
213.11281	1.0
241.10802	5.9
242.11206	1.1
301.13080	2.8
302.21854	0.9
330.54764	1.0
343.17493	2.3
346.14349	1.9
361.18796	100.0
362.19257	8.8
376.32251	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61393	0.5
56.46002	0.4
57.16637	0.5
59.01249	13.2
63.02272	2.9
65.00191	3.0
65.34515	0.4
69.03338	0.4
70.86713	0.6
70.87059	1.0
71.01252	1.5
83.01263	2.6
85.02818	0.8
89.02311	1.6
95.01231	0.6
96.09129	0.4
100.70123	0.5
101.02338	1.5
101.39944	0.4
107.01270	6.1
108.02056	0.7
111.87839	0.4
113.02314	0.8
119.03367	1.0
123.00763	0.9
123.04393	1.2
124.01553	0.7
135.00742	0.5
139.11137	0.6
146.17213	0.4
151.00275	24.5
152.01097	5.2
163.00241	0.8
164.01071	0.6
165.01785	0.8
167.03380	1.8
169.01332	2.0
170.03654	0.8
178.02646	0.5
178.99783	9.7
180.00066	0.4
186.03191	0.6
189.99025	0.5
195.02945	0.8
198.03198	1.1
199.03835	0.8
213.05568	0.8
214.02719	0.5
215.03531	0.6
221.01016	0.5
226.02728	0.7
227.03461	1.9
242.02165	18.1
243.02844	5.8
255.03003	1.0
256.03540	0.5
257.04547	1.2
259.05939	0.5
269.04575	0.6
270.01703	10.9
271.02463	29.2
272.02896	3.7
282.01657	4.9
283.02350	1.3
284.03281	3.8
285.04044	39.4
286.04654	5.9
287.05573	0.6
298.01309	0.7
299.01956	35.3
300.02521	5.7
313.03549	25.8
314.04248	19.4
315.04993	6.2
345.06137	100.0
346.06482	9.6
363.07251	12.4
363.16751	0.7
364.07321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0759
Annotation	Sulfometuron methyl
Peak:m/z	Relative Intensity
55.01743	1.0
59.01251	12.9
61.42122	0.7
69.03315	3.3
69.30296	2.1
69.30716	4.8
71.01260	4.7
72.99173	0.9
73.02812	1.2
79.95168	1.2
79.95608	10.5
80.96399	5.6
82.02856	0.7
83.01268	1.7
85.02823	3.0
87.00758	2.0
89.00513	0.7
89.02332	1.6
91.09863	0.7
92.85171	0.7
96.95891	100.0
98.20620	1.2
99.00701	1.1
101.02319	5.3
113.02331	3.0
113.05856	0.8
133.02927	0.8
137.96194	1.7
138.96977	5.1
150.96954	1.7
157.34421	0.7
164.03445	0.8
166.96396	0.8
180.98053	1.0
183.10222	2.3
185.00945	1.0
201.11182	0.8
232.21611	0.7
240.98006	1.2
241.00185	10.8
243.03499	0.9
287.10306	2.1
331.09302	1.6
363.07550	94.6
363.16864	4.4
364.07822	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1349
Annotation	Semperoside
Peak:m/z	Relative Intensity
51.82637	1.0
55.01739	1.0
58.00466	1.0
59.01254	18.8
59.68887	1.0
60.66379	1.1
69.03322	1.5
71.01260	11.9
71.53320	1.0
72.99165	1.8
73.02810	2.0
79.95609	2.8
80.96373	1.3
85.02828	5.7
87.00744	2.5
89.02320	9.0
93.03332	3.5
96.95889	100.0
97.02780	1.6
101.02337	6.5
107.08546	2.2
109.06458	1.3
111.04445	1.5
113.02340	6.7
115.09846	1.1
119.03397	2.8
119.98980	1.0
130.19232	1.0
133.10123	2.5
135.04425	1.5
135.08035	5.8
150.97018	1.9
152.98512	1.1
153.09114	87.7
154.09453	3.8
158.73326	0.9
173.04509	1.9
179.07072	1.4
180.98068	2.7
191.05540	5.1
195.10248	2.0
197.08122	77.6
198.08452	5.5
239.09181	2.2
241.00279	4.0
317.19730	2.2
359.10153	92.0
359.13855	3.8
360.10468	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1349
Annotation	Semperoside
Peak:m/z	Relative Intensity
55.01760	4.0
56.10177	3.4
57.03320	4.1
59.01250	42.2
70.35133	3.5
70.67418	10.4
71.01249	55.5
73.02815	12.3
83.01257	5.3
83.56032	4.3
85.02815	20.9
87.00746	7.2
89.02335	21.7
99.00766	4.9
101.02326	30.1
113.02312	19.5
119.03391	6.5
122.03629	22.5
123.04463	4.8
137.02374	8.0
137.05927	5.0
155.19505	4.4
161.04495	4.7
164.04564	4.5
179.07115	8.3
182.05788	49.1
197.08133	100.0
198.08687	3.7
198.99663	3.9
359.13568	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1505
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
57.03323	1.0
59.01254	12.1
64.08006	0.5
65.11327	0.5
69.03337	1.0
71.01254	8.9
71.06266	1.4
72.99202	0.6
73.02791	0.7
74.54977	0.4
80.02526	0.6
83.01239	1.2
83.04875	0.6
85.02831	1.9
85.06468	0.5
87.00751	6.8
88.16720	0.5
89.02316	7.4
95.01289	0.8
97.02830	100.0
98.03168	3.3
99.00751	0.8
101.02329	5.4
110.03629	1.8
111.04417	0.9
113.02347	3.5
115.03886	1.5
119.03377	3.0
119.08556	0.6
125.05954	0.6
125.42219	0.5
129.01837	1.6
130.08534	0.5
131.03461	0.6
135.08066	0.6
137.02328	1.2
137.09619	7.5
138.03140	8.7
142.02676	2.3
143.03363	0.6
149.04443	0.5
155.10794	0.6
161.04561	0.5
162.05504	0.8
165.05492	1.4
180.07828	6.0
181.08623	30.0
182.08997	1.3
183.10188	2.2
193.01564	0.5
199.09753	3.3
223.09688	0.6
235.09769	0.8
305.17505	0.5
317.15106	0.6
329.11490	0.6
343.13980	4.6
344.14294	0.6
358.28564	0.6
361.15021	21.7
362.15375	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.8
69.53638	0.6
70.41392	1.6
71.01254	1.9
73.02808	0.7
79.95609	3.0
80.96384	1.7
83.01252	0.6
85.02861	0.9
96.95886	99.3
101.02332	2.0
104.98101	0.6
113.02340	0.9
150.97052	0.7
152.98517	0.7
162.81165	0.6
180.98093	2.9
191.05560	1.9
203.13127	0.7
219.41406	0.7
241.00246	3.9
253.08937	0.6
321.89508	0.7
330.74667	0.6
348.31827	0.8
351.16058	0.7
359.10190	100.0
360.10571	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1345
Annotation	Semperoside
Peak:m/z	Relative Intensity
57.03311	1.3
58.00468	1.2
58.57732	1.1
59.01248	19.0
69.03329	1.0
69.46493	6.4
71.01252	11.7
75.30251	0.9
75.56152	1.0
85.02348	1.0
85.02798	4.8
87.00745	1.2
89.02324	9.1
96.95881	1.7
101.02316	5.5
107.08505	1.5
111.04431	1.9
113.02354	6.6
119.03365	2.1
133.10114	2.2
135.08051	4.8
136.62366	0.9
153.09113	100.0
154.09441	4.0
167.10640	1.7
179.06964	1.9
191.05496	2.7
197.08131	85.6
198.08461	4.6
208.67996	1.1
239.09210	1.9
261.72760	1.1
317.19730	3.1
359.08472	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50028	6.8
59.01236	20.8
61.98700	100.0
70.10717	8.3
71.52957	8.6
87.96043	6.5
101.47018	7.6
110.58105	7.7
121.02847	27.2
135.04385	11.2
162.40834	7.7
164.61696	7.7
176.71989	9.6
240.18756	7.7
272.37204	7.5
357.06070	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1193
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
59.01250	16.4
61.21439	0.4
65.18417	0.5
65.24928	0.5
65.74058	0.5
70.10271	1.9
71.01241	1.5
79.65738	0.6
98.19841	0.6
108.02036	1.1
119.04909	1.6
121.02836	1.5
123.04403	2.3
124.01505	0.7
135.04411	7.2
136.05215	9.3
145.27786	0.5
150.03108	0.8
151.03914	3.0
151.07516	2.3
179.03354	0.8
195.06558	100.0
196.06921	5.1
209.11920	0.5
258.13855	0.6
325.76669	0.5
333.70804	0.6
357.11978	1.7
357.21451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.4
57.03317	0.5
59.01250	100.0
60.01586	1.1
69.70370	1.4
69.70771	0.9
71.01246	6.0
72.01598	0.4
73.02817	2.0
83.01264	0.7
85.02823	2.2
89.02326	1.1
95.01261	0.4
99.00755	1.0
100.83017	0.3
101.02345	3.0
112.98705	0.5
113.02342	2.2
119.03403	0.5
120.99540	2.1
121.02859	1.0
159.02859	0.6
161.04471	3.7
179.31401	0.4
205.19885	0.5
210.89627	0.3
315.18317	1.0
357.26736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25997	1.4
55.60665	1.7
59.01246	6.0
61.79026	1.6
71.01232	3.4
76.80361	1.6
81.03343	4.3
81.96184	1.5
83.04870	12.5
93.03354	2.5
95.04929	1.6
97.06477	5.1
98.13823	1.5
101.72182	1.6
106.04115	2.2
107.04900	1.7
109.06474	4.5
119.04900	2.6
120.66189	1.6
121.06500	3.5
123.08038	4.2
133.06503	1.7
135.08069	2.7
145.06471	3.3
146.03645	5.3
147.04398	5.6
151.11148	2.2
157.06479	1.7
159.04327	1.9
159.08099	1.6
160.05266	3.0
161.09627	6.3
163.07487	2.0
163.11214	3.7
165.09073	3.7
165.12651	2.1
167.14330	5.7
171.04457	2.0
172.05194	2.9
173.06033	7.6
173.09619	3.2
175.07574	1.7
175.11220	6.5
177.12714	3.2
179.10770	2.2
185.09665	3.9
187.07631	8.5
188.08221	1.8
191.10773	2.3
191.14333	3.8
193.15871	3.2
199.07550	1.9
201.09042	2.8
203.10672	28.9
204.00964	1.6
245.15460	3.2
271.17117	7.5
273.18634	6.9
300.17328	5.6
311.24011	2.5
325.18042	4.3
327.23343	6.6
337.21652	5.3
340.20349	2.8
355.22781	100.0
356.22971	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2279
Annotation	1-Formylneogrifolin
Peak:m/z	Relative Intensity
59.01252	7.4
59.82947	2.7
62.23953	2.9
67.01757	3.0
69.03319	10.0
70.68297	9.6
79.92603	3.9
93.67501	2.8
95.04899	5.5
97.06465	9.5
123.08031	6.1
128.43333	4.0
133.10098	3.3
135.08025	9.5
143.08531	3.4
147.08070	10.4
151.11180	5.1
153.12724	10.3
161.09654	7.1
167.14357	17.2
171.04541	3.8
173.06047	8.4
174.06714	3.2
175.07590	6.6
175.11206	9.8
184.08908	5.5
185.09697	5.7
187.07503	8.4
191.14314	4.9
192.75351	3.2
193.15904	13.3
201.09123	8.2
203.10738	45.0
221.15424	13.9
229.21269	3.6
233.15475	3.0
311.20132	7.3
326.18854	25.4
327.23370	4.8
337.21649	8.5
355.19592	7.3
355.22855	100.0
356.23221	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.2
71.01250	1.4
71.53044	2.2
73.11792	1.1
73.88527	1.0
84.89646	1.1
85.02807	3.0
87.67620	1.0
98.24519	1.1
105.27740	1.2
107.04902	1.2
109.02831	3.5
122.03627	9.3
124.53449	1.2
127.07520	1.9
135.04417	24.4
136.01552	2.7
147.08115	1.4
149.09608	6.4
151.07520	2.4
161.09616	8.1
163.07523	2.7
163.11191	49.7
164.08351	15.4
164.11523	2.9
165.09140	9.8
177.09122	66.3
178.09904	19.3
179.10693	78.8
179.97137	1.0
180.11006	3.9
183.10149	2.4
187.11244	1.7
191.10710	11.2
193.08655	8.4
194.08955	1.3
203.14249	1.2
280.14673	3.6
298.15759	50.0
299.16031	5.6
307.16992	2.1
309.22305	1.7
331.59857	1.1
337.18469	0.8
337.21713	47.2
338.22208	5.6
340.20413	77.4
341.20676	8.6
355.22791	100.0
356.23114	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10115	0.2
59.01250	13.3
69.49483	1.6
71.01263	1.5
72.99191	0.4
73.02812	0.2
80.01407	0.2
85.02824	0.7
88.39297	0.2
93.03336	0.3
108.02070	0.4
109.02834	0.4
113.02357	0.3
121.02847	0.6
122.03642	0.3
124.01545	0.8
125.01840	0.2
125.02397	0.2
133.02867	0.5
133.06497	0.3
134.03683	1.1
135.04419	14.0
136.04750	12.4
137.02315	0.6
137.04895	0.3
138.02679	0.4
140.19644	0.2
149.09622	100.0
150.03110	0.7
150.09961	5.2
151.03928	2.1
152.04285	1.1
161.02362	0.6
161.04486	0.3
162.02745	0.8
173.04503	0.3
179.03421	3.0
180.03755	3.3
181.03868	0.3
187.07574	1.4
191.05539	5.4
192.05812	0.5
192.43858	0.2
193.15448	0.2
194.02296	0.2
215.07091	0.4
231.10210	0.4
257.08325	0.6
275.09244	0.4
285.42447	0.2
331.46429	0.2
335.07919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.212
Annotation	Guayulin B
Peak:m/z	Relative Intensity
51.93909	0.2
56.90644	0.2
59.01255	0.5
70.10930	0.9
79.95589	0.7
96.95882	4.1
101.02332	0.2
103.33711	0.2
133.68132	0.2
147.08020	0.3
161.04486	0.3
163.11191	91.0
164.11522	5.7
164.12906	0.3
168.69102	0.2
177.09120	67.7
178.09460	3.6
194.05727	0.4
222.08893	0.4
279.13733	0.3
353.21176	100.0
354.21524	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
59.01258	2.7
69.09596	1.0
70.86160	2.5
71.01254	1.4
82.41866	1.1
90.95835	1.1
93.03358	1.6
96.95898	1.1
121.02834	2.2
133.02856	2.7
134.03629	67.0
135.03981	1.3
137.02330	9.5
139.03879	3.9
149.05991	14.4
173.38354	1.2
178.02638	33.0
179.02937	2.4
191.05440	1.8
193.04980	100.0
194.05338	4.3
212.62305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01771	0.6
57.03300	1.0
58.00455	1.6
59.01251	38.2
60.01584	0.6
69.49873	4.2
71.01256	20.6
72.01584	0.6
72.99181	3.5
73.02818	1.4
73.12167	0.5
83.01250	1.6
85.02822	4.7
87.00751	1.5
89.02319	15.5
92.59963	0.5
95.01275	1.7
99.00778	0.6
101.01699	1.0
101.02319	12.2
113.02333	7.0
119.03397	6.0
119.04871	0.7
127.12127	0.5
139.11208	1.4
141.12753	32.8
142.13037	1.2
145.02835	0.6
161.04555	0.7
169.12260	6.2
170.12514	0.5
171.13824	2.1
179.05452	0.6
183.13809	2.9
187.13322	60.1
188.13611	2.4
229.14432	1.8
258.24158	0.5
349.18671	100.0
350.19022	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.1
59.01255	14.0
70.69547	1.2
71.00750	2.9
71.01246	12.7
72.99163	3.7
75.00745	15.3
82.18948	1.2
85.02821	16.3
87.00754	5.1
89.02309	3.0
95.01254	3.0
99.00757	9.0
101.05959	100.0
102.06295	1.9
103.00251	1.5
110.12643	1.2
113.01621	1.8
113.02328	19.2
115.00259	1.7
117.01816	2.2
175.02393	2.0
213.94589	1.4
231.05151	2.0
249.06079	17.7
267.07162	2.2
333.11917	2.6
351.12933	67.1
352.13345	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63519	1.4
58.05521	1.5
59.01250	100.0
61.98692	2.0
66.84528	1.6
71.01234	1.8
85.46854	1.8
93.03291	1.6
96.95890	2.6
115.07536	1.9
133.02892	4.4
135.04401	2.7
161.02380	1.6
191.05528	6.3
204.86618	1.6
222.38293	2.0
278.60947	1.7
280.35004	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
54.17422	0.7
58.47750	0.6
59.01250	4.2
59.38739	0.6
60.99174	1.2
61.98688	0.6
65.77865	0.7
67.01756	1.4
68.84940	0.7
69.03331	0.7
71.01243	3.0
71.52544	0.7
71.53305	0.8
80.76526	0.6
85.02821	6.3
87.00751	2.5
89.02325	0.8
93.03335	10.1
106.04078	0.9
107.04903	1.7
109.02831	1.2
111.04408	1.8
113.02299	0.9
121.02832	0.8
127.03931	1.5
135.04439	1.4
137.02399	1.0
161.02327	1.6
161.04460	1.6
173.04457	11.0
179.03421	7.2
183.18222	0.6
191.05540	100.0
192.05907	4.3
353.08871	6.0
376.46362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
53.76599	0.5
59.01243	2.2
69.03323	0.5
70.03942	1.2
70.04332	1.2
71.01259	0.7
83.04868	0.5
85.02819	7.2
87.00755	0.8
93.03345	2.7
98.19871	0.8
109.02837	0.9
127.03890	1.9
133.02853	0.6
135.04454	0.7
161.02356	1.4
171.02945	0.5
173.04463	1.3
179.03416	1.0
191.05533	100.0
192.05876	4.7
315.56329	0.5
315.67792	0.6
353.08719	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.61825	0.6
50.80742	0.5
59.01257	3.3
60.92826	0.6
62.25080	0.6
67.01772	0.7
69.03314	1.3
69.40125	0.8
69.40520	4.4
69.43635	0.6
70.77484	0.7
71.01255	1.2
83.04939	0.7
85.02823	6.6
87.00742	2.3
93.03340	7.5
109.02818	0.8
111.04387	1.0
112.15209	0.6
118.68000	0.6
127.03909	1.7
135.04408	1.0
161.02339	2.6
161.04433	1.0
173.04483	5.5
179.03456	3.3
191.05534	100.0
192.05847	4.6
192.86664	0.6
353.08643	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1709
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01741	2.0
57.03327	2.8
58.00463	3.0
59.01251	69.6
61.54545	1.2
63.02259	1.8
63.24063	1.3
65.00188	3.0
68.99676	1.4
69.00846	1.4
69.37762	2.2
69.38171	8.4
71.01251	41.6
72.99180	4.0
73.02814	3.2
79.95560	1.9
83.01248	6.3
85.02830	9.4
89.02318	33.2
89.02846	2.6
95.01262	5.5
96.95884	100.0
99.00761	4.0
101.02321	27.0
107.01264	5.5
108.02039	1.4
111.00760	3.7
113.02325	14.5
119.03386	13.1
123.00745	4.2
123.04410	2.5
124.01526	1.5
125.02317	3.6
135.00740	2.4
139.00255	5.3
141.01773	2.2
143.03337	1.8
151.00264	13.1
152.01027	4.4
153.01842	2.2
161.02362	1.8
161.04494	2.5
165.98981	1.2
166.99721	5.4
167.03389	2.0
167.10680	15.7
173.02367	1.6
175.03993	1.4
178.98445	1.3
178.99792	9.5
185.11783	2.5
186.03027	1.3
187.03850	1.9
189.01889	2.4
190.02638	1.6
193.01358	3.5
194.99243	2.3
199.03888	1.9
202.02647	1.7
203.03365	2.9
214.02611	2.2
215.03444	4.6
231.03101	1.6
232.03592	1.6
243.02943	6.4
244.03578	1.5
245.00873	1.7
245.04520	1.4
258.01715	1.4
259.02390	2.8
261.04019	2.3
271.02423	11.2
272.03088	1.8
273.04004	2.4
275.05560	1.7
287.01822	5.0
301.03555	3.5
303.05087	8.0
304.05884	4.2
315.01385	4.3
319.04572	9.8
329.03076	2.4
332.01620	3.3
347.04034	15.3
347.17090	88.1
348.04410	3.2
348.17566	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02924	0.9
55.01742	4.5
59.00964	1.5
59.01246	17.4
69.03324	100.0
70.03651	2.0
71.01248	2.5
71.39898	1.8
72.99178	2.3
79.01763	2.2
84.75768	1.0
85.02807	1.2
95.01246	2.7
97.02830	21.9
99.00751	25.6
101.02306	1.2
119.04919	6.5
123.00771	1.5
141.01831	7.5
163.03952	4.6
185.00829	47.6
186.01109	2.0
203.01889	27.1
204.02190	1.7
296.62381	1.1
349.05630	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.9
59.01238	4.1
66.00124	0.9
69.03323	100.0
69.86983	0.8
70.03663	2.0
71.01266	1.0
71.40109	1.6
72.99191	1.7
79.01769	2.6
95.01234	1.1
97.02829	20.2
99.00755	29.3
119.04891	7.4
123.00769	1.8
141.01833	8.2
142.69594	0.8
145.20143	0.9
163.03899	4.9
182.55414	0.9
185.00835	41.5
203.01961	3.6
349.05649	3.3
357.61136	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0599
Annotation	CHEBI:75389
Peak:m/z	Relative Intensity
51.41099	0.4
59.01259	3.5
61.88677	0.5
69.03333	0.7
70.69153	1.1
70.69495	0.6
71.01247	2.2
73.02818	0.6
79.95611	3.7
80.96398	1.9
85.02846	1.1
89.02337	0.9
96.95889	100.0
101.02321	3.1
112.83437	0.5
113.02306	0.8
121.35875	0.5
138.96965	0.8
140.36067	0.5
150.96959	1.5
152.98511	1.1
158.71973	0.5
180.98033	3.6
241.00169	5.8
295.97845	0.5
349.05972	90.3
350.06339	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0402
Annotation	aflatoxin B1 dialdehyde
Peak:m/z	Relative Intensity
57.03307	1.9
58.35260	1.5
59.01255	10.6
63.02275	12.9
65.00191	19.5
67.01767	4.6
68.99682	7.9
69.03325	3.7
71.01240	5.7
71.52770	2.1
72.99186	2.9
73.02798	2.6
75.00730	1.4
79.01751	3.7
79.95624	1.7
81.03331	2.0
83.01266	20.2
89.02310	1.9
91.01766	7.1
93.03331	1.9
95.01270	19.0
96.95889	100.0
97.02814	3.5
99.00766	19.3
101.02321	6.4
102.31146	1.6
102.98479	1.7
107.01273	29.9
108.02056	12.3
109.02832	6.3
109.99977	7.5
111.00774	25.6
113.02351	2.5
115.05396	2.8
117.03368	2.7
117.22260	1.7
119.03394	2.3
119.04915	2.7
121.02853	2.2
123.00768	28.9
123.04421	15.7
124.01563	17.9
124.98713	3.8
125.02338	17.6
127.00278	3.5
131.04892	2.2
132.02039	3.7
133.02811	3.8
135.00761	8.9
135.04414	1.9
136.01566	2.3
136.98695	6.3
137.02335	3.5
137.05901	1.8
137.99500	3.8
139.00267	34.1
139.03928	2.4
140.01013	5.5
141.01823	9.9
143.04916	9.4
145.02855	4.3
146.03612	4.2
147.04416	8.7
148.01537	5.7
149.02333	3.5
149.99489	4.9
151.00278	77.1
151.03906	1.9
152.01068	26.5
153.01843	12.5
153.98965	3.4
154.99792	8.3
155.04932	4.3
155.10692	2.1
157.02824	1.9
158.03610	4.8
159.04419	9.1
160.21497	1.7
161.02373	9.9
163.00266	7.4
163.03926	2.3
164.01085	10.3
165.99013	6.1
166.99771	19.0
167.03416	9.6
168.00542	11.1
169.01414	11.6
169.02721	2.9
170.03645	2.3
171.04414	10.4
173.02356	6.9
174.03116	6.5
175.03908	9.1
176.01071	5.1
177.01796	5.0
177.99011	3.8
178.98198	2.9
178.99785	56.3
179.03433	4.8
180.00400	5.4
181.98499	4.0
185.02350	4.4
186.03143	5.8
187.03952	15.8
188.04669	6.5
189.01892	9.9
189.05449	1.6
190.02638	5.4
190.99731	2.9
191.03471	9.6
192.00516	7.5
193.01326	16.8
194.99284	15.0
195.99835	2.7
197.00893	2.1
198.03178	2.2
199.03961	9.6
201.01881	8.0
201.05392	1.8
202.02655	11.3
203.03441	16.9
204.04178	7.8
205.01544	3.4
208.00185	1.6
213.01913	2.1
214.02673	9.5
215.03415	36.1
216.04085	9.4
217.01399	6.1
217.04933	5.0
217.34692	1.9
218.02107	2.6
219.02945	6.2
222.98897	1.8
227.03435	4.6
229.01396	5.9
230.02303	8.4
231.03053	10.1
231.06641	2.2
232.03755	7.9
233.04488	6.2
234.01636	2.0
241.01411	3.9
242.02139	6.7
243.02980	31.6
244.03618	8.0
245.00919	7.8
245.04602	8.2
247.02422	4.3
247.06056	10.7
249.04042	2.1
257.04453	4.8
258.01752	9.7
259.02478	23.5
259.06036	6.2
260.03073	6.9
261.04010	6.8
270.01749	3.5
271.02469	74.8
272.02975	12.6
273.04007	10.8
274.04596	1.7
275.05591	10.4
285.03943	2.6
286.01230	11.1
287.01901	18.6
288.02695	9.3
289.03558	2.5
291.05072	4.6
299.01901	2.4
301.03479	15.7
302.03851	2.3
303.01981	1.5
303.05078	43.0
304.02353	3.1
304.05829	15.1
307.03592	2.3
314.00598	1.8
315.01492	20.0
316.02075	4.5
319.04568	46.6
319.08398	2.4
320.04822	4.8
329.03027	14.4
330.03537	1.8
332.01691	14.6
347.04068	99.6
347.07788	6.9
347.17123	10.3
348.04431	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.171
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01757	1.3
57.03314	2.3
58.00474	4.2
59.01249	88.6
60.01575	0.8
60.99178	1.2
65.63122	0.6
67.01765	2.0
67.99382	0.7
69.03323	2.7
71.01254	53.9
71.01904	1.5
72.99171	5.0
73.02821	2.2
79.95619	1.6
81.03317	1.0
83.01260	3.5
85.02820	14.2
87.00746	6.0
87.04402	1.8
89.02316	47.2
93.03332	12.1
95.01263	4.9
96.95885	100.0
97.02811	2.0
99.00765	1.3
101.02322	33.6
102.02673	1.2
109.02853	1.8
111.04402	2.1
113.02332	19.2
115.03888	0.7
119.03389	23.8
127.03896	1.2
129.01868	1.6
130.75156	0.6
131.03371	2.0
133.02858	2.4
134.03548	0.8
135.04417	23.0
135.08109	0.8
137.02417	0.6
137.09650	2.1
139.07463	0.7
141.01877	1.0
143.03415	2.6
149.04498	1.5
151.00377	0.6
155.10674	10.8
155.11880	1.1
161.02348	6.4
161.04480	1.9
167.10690	36.6
168.11028	1.3
173.04475	2.8
175.07619	0.8
176.03940	24.4
179.03424	20.1
179.05478	2.4
181.08534	1.1
185.11800	2.3
191.05533	51.3
195.10159	1.0
199.09692	9.1
213.11342	0.7
223.13304	0.8
241.10796	1.1
283.11902	3.7
322.33066	0.7
343.14056	0.9
347.08209	6.5
347.17078	44.0
348.11432	5.8
348.17484	4.1
353.08698	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47842	1.0
57.30463	1.0
59.01265	6.3
67.01769	1.0
69.03327	96.0
69.72613	6.2
70.03657	1.3
71.01236	2.5
72.99183	14.8
79.37125	0.9
85.02834	4.7
89.02314	2.3
93.03321	2.1
95.01273	7.7
97.02832	27.7
98.19895	2.0
101.02322	2.4
102.04246	1.1
107.04905	2.4
109.02831	13.4
113.02326	7.0
121.02854	1.9
123.00776	8.7
132.02054	1.2
133.02846	16.7
134.03639	13.7
135.04419	100.0
136.04739	5.3
137.02354	6.7
139.00243	3.9
139.03882	2.1
141.00797	2.0
141.01843	25.0
145.02826	1.5
159.04443	2.5
161.02357	38.5
162.02675	1.1
163.03963	1.3
164.52548	1.0
166.99730	3.2
172.05194	1.4
174.03160	1.1
178.02661	6.0
179.03430	81.3
180.03720	3.4
185.00806	1.2
185.05984	2.2
187.07506	2.7
211.03917	1.3
213.05495	2.5
215.07079	12.9
231.06746	1.7
241.04999	1.4
259.06067	4.2
271.02472	1.6
286.82962	1.0
347.16913	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03812	1.1
53.16679	1.0
55.35147	0.9
58.05357	0.9
59.01256	7.0
67.01752	1.4
69.03325	87.9
69.27352	11.1
70.03651	1.5
71.01247	4.0
72.99183	11.4
79.01770	1.6
85.02818	4.2
88.74961	1.3
89.02301	3.0
92.68967	1.3
93.03320	1.2
95.01272	8.0
96.95874	2.9
97.02823	24.9
99.30933	1.3
101.02306	2.8
107.04897	2.3
107.25188	1.1
108.02029	1.5
109.02151	1.2
109.02837	12.5
111.00723	1.1
113.02319	7.1
123.00752	7.1
128.94292	1.1
133.02853	17.2
134.03647	12.6
135.04413	100.0
136.04732	3.2
137.02309	6.9
139.00272	1.9
139.03914	1.9
141.01817	16.9
145.02846	1.2
146.03638	1.4
147.04250	1.5
161.02353	33.0
162.02728	1.8
163.03912	1.4
166.99773	2.4
176.29808	1.1
178.02603	4.5
179.03418	78.2
180.03705	3.4
185.00877	2.4
185.05948	2.4
187.07512	2.0
213.05402	2.3
215.07089	8.7
219.02954	1.2
259.06143	3.3
347.16974	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.9
58.35260	1.5
59.01255	10.6
63.02275	12.9
65.00191	19.5
67.01767	4.6
68.99682	7.9
69.03325	3.7
71.01240	5.7
71.52770	2.1
72.99186	2.9
73.02798	2.6
75.00730	1.4
79.01751	3.7
79.95624	1.7
81.03331	2.0
83.01266	20.2
89.02310	1.9
91.01766	7.1
93.03331	1.9
95.01270	19.0
96.95889	100.0
97.02814	3.5
99.00766	19.3
101.02321	6.4
102.31146	1.6
102.98479	1.7
107.01273	29.9
108.02056	12.3
109.02832	6.3
109.99977	7.5
111.00774	25.6
113.02351	2.5
115.05396	2.8
117.03368	2.7
117.22260	1.7
119.03394	2.3
119.04915	2.7
121.02853	2.2
123.00768	28.9
123.04421	15.7
124.01563	17.9
124.98713	3.8
125.02338	17.6
127.00278	3.5
131.04892	2.2
132.02039	3.7
133.02811	3.8
135.00761	8.9
135.04414	1.9
136.01566	2.3
136.98695	6.3
137.02335	3.5
137.05901	1.8
137.99500	3.8
139.00267	34.1
139.03928	2.4
140.01013	5.5
141.01823	9.9
143.04916	9.4
145.02855	4.3
146.03612	4.2
147.04416	8.7
148.01537	5.7
149.02333	3.5
149.99489	4.9
151.00278	77.1
151.03906	1.9
152.01068	26.5
153.01843	12.5
153.98965	3.4
154.99792	8.3
155.04932	4.3
155.10692	2.1
157.02824	1.9
158.03610	4.8
159.04419	9.1
160.21497	1.7
161.02373	9.9
163.00266	7.4
163.03926	2.3
164.01085	10.3
165.99013	6.1
166.99771	19.0
167.03416	9.6
168.00542	11.1
169.01414	11.6
169.02721	2.9
170.03645	2.3
171.04414	10.4
173.02356	6.9
174.03116	6.5
175.03908	9.1
176.01071	5.1
177.01796	5.0
177.99011	3.8
178.98198	2.9
178.99785	56.3
179.03433	4.8
180.00400	5.4
181.98499	4.0
185.02350	4.4
186.03143	5.8
187.03952	15.8
188.04669	6.5
189.01892	9.9
189.05449	1.6
190.02638	5.4
190.99731	2.9
191.03471	9.6
192.00516	7.5
193.01326	16.8
194.99284	15.0
195.99835	2.7
197.00893	2.1
198.03178	2.2
199.03961	9.6
201.01881	8.0
201.05392	1.8
202.02655	11.3
203.03441	16.9
204.04178	7.8
205.01544	3.4
208.00185	1.6
213.01913	2.1
214.02673	9.5
215.03415	36.1
216.04085	9.4
217.01399	6.1
217.04933	5.0
217.34692	1.9
218.02107	2.6
219.02945	6.2
222.98897	1.8
227.03435	4.6
229.01396	5.9
230.02303	8.4
231.03053	10.1
231.06641	2.2
232.03755	7.9
233.04488	6.2
234.01636	2.0
241.01411	3.9
242.02139	6.7
243.02980	31.6
244.03618	8.0
245.00919	7.8
245.04602	8.2
247.02422	4.3
247.06056	10.7
249.04042	2.1
257.04453	4.8
258.01752	9.7
259.02478	23.5
259.06036	6.2
260.03073	6.9
261.04010	6.8
270.01749	3.5
271.02469	74.8
272.02975	12.6
273.04007	10.8
274.04596	1.7
275.05591	10.4
285.03943	2.6
286.01230	11.1
287.01901	18.6
288.02695	9.3
289.03558	2.5
291.05072	4.6
299.01901	2.4
301.03479	15.7
302.03851	2.3
303.01981	1.5
303.05078	43.0
304.02353	3.1
304.05829	15.1
307.03592	2.3
314.00598	1.8
315.01492	20.0
316.02075	4.5
319.04568	46.6
319.08398	2.4
320.04822	4.8
329.03027	14.4
330.03537	1.8
332.01691	14.6
347.04068	99.6
347.07788	6.9
347.17123	10.3
348.04431	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.5
63.01973	2.0
63.02254	11.2
65.00199	27.6
67.01758	7.4
68.99676	6.6
69.03320	3.1
69.39034	3.5
69.39439	15.5
71.01225	1.8
71.27567	1.7
72.99171	1.9
79.01750	4.4
83.01256	16.9
91.01765	10.5
93.03353	2.2
95.01257	19.0
96.95895	33.5
96.99172	2.7
97.02806	3.1
98.20467	3.7
99.00748	18.4
101.03860	2.1
107.01267	38.7
108.02073	14.3
108.86648	2.1
109.02838	6.6
109.99935	4.8
111.00761	26.0
115.05408	2.9
115.92419	1.9
117.03370	3.4
119.01310	2.2
119.04905	2.0
121.02860	2.7
123.00770	31.4
123.04404	18.6
124.01581	13.9
124.98708	3.0
125.02328	20.7
127.00255	3.9
131.04886	2.2
133.02844	6.2
135.00766	12.6
135.04391	2.0
136.01532	2.1
136.98715	4.8
137.02379	4.4
137.99481	4.2
139.00262	39.3
139.03928	2.7
140.01004	4.4
140.15417	1.8
141.01830	11.3
143.04916	7.7
145.02831	7.0
146.03616	3.9
147.04408	12.1
148.01527	4.7
149.02380	4.2
149.99435	6.0
151.00272	96.9
151.03825	3.0
152.01064	33.8
153.01843	12.1
153.98967	4.9
154.99757	9.2
155.04942	2.1
157.02824	3.4
158.03668	3.3
159.04417	10.5
161.02347	11.5
163.00264	9.6
163.03883	2.7
164.01065	10.2
165.98976	4.3
166.02588	2.3
166.99762	24.5
167.03377	6.8
168.00571	14.0
169.01393	11.1
169.02663	2.6
170.03687	3.1
171.04417	14.2
173.02374	5.4
174.03110	8.2
175.03893	9.2
176.01073	7.1
177.01854	7.1
177.99020	3.9
178.99785	70.4
179.03223	4.0
180.00470	8.5
181.98441	3.3
183.04445	2.9
185.02463	2.8
186.03154	7.4
187.03949	17.5
188.01137	2.9
188.04675	8.4
189.01874	10.1
189.05429	2.5
190.02690	3.8
191.03432	8.8
192.00583	8.0
193.01350	20.9
194.99226	17.4
198.03096	3.5
199.03928	9.3
200.04686	2.6
201.01866	7.3
202.02681	11.9
203.03429	17.2
204.04195	8.7
204.97699	2.3
205.01367	3.6
206.01984	2.4
206.99301	2.5
214.02643	7.7
215.03410	35.4
216.04166	9.2
217.01370	6.5
217.04932	4.2
218.02020	5.5
219.02931	4.2
221.00940	2.5
226.02747	2.4
227.03453	4.2
229.01413	7.5
230.02126	7.6
231.02940	10.0
231.06654	4.5
232.03711	11.3
233.04472	6.2
241.01219	2.6
242.02184	11.1
243.02939	39.2
244.03618	4.8
245.00877	11.7
245.04465	7.7
247.02489	5.0
247.06058	8.5
257.04562	4.5
258.01648	8.5
259.02457	20.7
259.06097	6.9
260.03159	6.6
261.04050	7.4
269.00986	3.4
270.01746	3.4
271.02472	77.0
272.02887	11.4
273.04025	13.1
274.01236	2.3
275.05530	7.3
285.04047	3.1
286.01227	10.8
287.01910	20.5
288.02643	10.1
291.05167	3.3
301.03531	19.5
303.01776	2.4
303.05060	40.2
304.05826	14.6
314.00745	2.8
315.01508	23.4
316.02118	5.8
319.04596	46.1
320.04858	3.2
329.02997	15.3
330.03400	3.1
332.01721	18.0
334.29462	1.9
347.04074	100.0
347.16934	2.2
348.04510	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54611	0.4
55.74875	0.4
57.03275	0.9
59.01178	29.1
59.01508	3.5
59.01673	1.3
69.03274	0.6
71.01191	0.6
71.53333	0.6
74.93811	0.5
79.95564	0.7
83.04800	0.5
93.03310	0.5
95.04832	0.5
96.95905	2.8
97.06373	1.1
99.08029	5.3
109.06375	0.8
111.08013	0.9
113.09617	2.5
117.21676	0.4
121.09624	0.4
123.08026	0.4
125.09550	0.9
127.07487	0.7
127.11115	1.4
129.09114	10.9
137.09515	0.5
139.11052	1.7
141.09004	0.9
143.10683	6.6
155.10657	2.1
157.12158	0.8
169.12201	0.5
209.19087	1.0
221.18948	0.7
227.20108	1.6
235.16882	0.9
237.18568	3.9
239.20100	2.0
255.19626	2.4
257.21191	9.8
258.21494	0.7
259.01291	1.0
285.20709	20.8
286.21109	1.9
301.02466	0.5
303.21762	100.0
304.22107	8.7
327.16101	0.6
345.22845	20.4
346.23102	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	27.4
69.21094	1.5
69.21488	8.1
73.02800	1.1
76.18140	0.8
79.95612	1.8
96.95901	2.3
104.24541	0.8
123.04360	1.1
124.84197	0.8
155.14343	4.0
159.04413	1.5
164.69974	0.8
171.76978	1.0
183.13799	4.2
185.15399	22.4
186.15692	2.0
199.16985	5.0
225.18504	1.8
227.20108	3.4
237.18690	1.2
239.20125	4.1
257.21204	12.3
258.21436	1.3
259.01468	0.9
285.20709	55.6
286.21231	4.9
303.21765	100.0
304.22147	8.4
318.98178	0.9
345.22906	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1553
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
57.03305	1.8
58.00453	4.3
59.01252	100.0
69.11199	1.1
70.93254	2.9
71.01253	60.7
72.99172	3.1
73.02809	2.5
80.36215	1.1
83.01236	2.6
85.02828	10.5
87.00759	2.6
89.02318	65.3
95.01252	5.7
99.00732	2.0
101.02323	35.5
111.94806	1.2
111.95583	1.2
113.02332	22.5
119.03390	26.4
121.09290	1.8
121.10124	25.3
131.03384	3.3
143.03407	2.9
161.04503	3.7
165.09143	9.1
179.05531	4.7
183.10236	2.3
201.16817	1.1
241.57455	1.2
292.25363	1.2
333.05206	1.2
345.15540	47.0
346.15710	5.6
348.19659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1553
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
51.00412	1.0
55.01738	3.2
55.41935	1.1
57.03315	1.6
58.00456	3.9
59.01248	100.0
60.01580	1.3
69.03315	1.2
69.47488	8.2
71.01250	73.7
72.89950	1.0
72.99174	5.3
73.02812	7.8
75.00759	1.4
83.01257	6.2
83.98684	0.9
85.02818	21.4
85.41207	0.9
87.00737	1.9
89.02313	55.9
95.01259	4.3
96.95900	8.4
98.68198	1.0
99.00759	2.9
101.02319	41.4
102.98461	1.6
113.02325	25.6
119.03386	22.5
121.10114	60.7
122.10439	2.9
125.02314	1.2
131.03363	2.4
143.03391	2.5
149.04431	2.1
161.04454	4.1
179.05536	3.2
183.10165	2.3
286.45645	0.9
331.49927	1.1
345.15533	65.4
346.15915	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54335	1.3
58.99474	100.0
59.01232	1.6
59.99813	1.3
63.96111	1.5
68.87363	1.1
71.19375	3.1
72.61378	1.3
72.99189	5.9
73.98183	1.7
74.98969	24.5
87.00741	7.0
90.91736	1.5
123.04392	1.6
135.98296	2.0
136.99039	14.9
147.01178	1.7
175.85060	1.3
257.04770	4.2
322.57425	1.3
327.05209	1.9
345.06454	20.6
346.06616	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79361	0.6
55.01763	0.9
59.01248	9.1
70.00069	1.5
70.00483	2.5
71.01249	5.6
73.02805	0.8
75.93166	0.7
77.52911	0.8
84.04417	0.9
85.02825	1.3
89.02296	4.6
95.03660	2.2
96.08056	1.1
96.95881	1.9
101.02338	4.0
104.04935	1.8
106.06498	5.6
113.02341	2.0
119.03407	2.4
120.04434	1.1
121.10120	2.8
122.05996	3.2
123.03142	1.0
124.07567	4.5
132.04454	34.7
133.05237	15.9
134.06033	4.9
148.03932	1.3
150.05496	1.2
165.04233	24.4
166.04593	1.5
176.03461	1.0
177.04301	3.7
178.04909	1.8
184.07671	0.9
184.95862	0.8
186.09172	5.9
198.09181	1.6
209.03217	6.0
213.06619	3.4
214.12318	5.6
214.28947	1.0
215.11842	6.6
218.70801	1.0
225.06688	0.8
226.07317	0.9
227.08168	1.0
229.09799	3.9
240.10313	1.9
241.09772	3.7
255.97577	0.8
257.12912	23.6
258.13269	2.1
259.01230	1.1
261.36545	0.9
268.08728	0.7
283.10776	7.2
284.11041	1.4
301.11929	19.9
302.12262	2.0
327.09836	2.0
345.10910	100.0
346.11234	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1091
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
59.01249	9.8
69.30761	7.1
71.01250	6.5
72.99153	1.0
85.02843	1.2
89.02320	6.0
93.48013	0.8
95.03635	2.3
96.08092	1.6
96.95901	2.9
101.02329	3.2
104.04948	1.9
106.06512	5.1
110.74898	1.0
113.02336	2.9
118.47323	0.8
119.03397	2.4
121.10109	3.3
121.23708	0.8
122.06007	2.6
124.07574	5.1
132.04451	34.5
133.05231	19.9
134.06064	5.7
148.03966	1.4
150.05513	1.6
161.04462	1.0
165.04228	23.9
176.03419	1.4
177.04213	3.1
178.05009	1.0
186.09190	4.8
209.03207	5.6
213.06662	3.4
214.12341	8.4
215.11736	6.1
226.07384	1.3
227.08162	1.5
229.09740	3.3
240.10332	1.7
241.09776	4.4
257.12924	24.2
258.13242	1.9
259.01120	1.1
283.10907	8.0
301.02350	1.2
301.11917	20.7
302.12234	2.1
327.09717	2.0
345.10913	100.0
346.11185	9.4
352.32382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1554
Annotation	Eucalmaidin A
Peak:m/z	Relative Intensity
50.47684	1.2
57.03334	2.0
58.00458	6.1
59.01250	100.0
60.01577	1.6
63.13523	1.2
67.01761	3.9
70.66666	2.3
70.67003	1.9
71.01253	73.3
71.04872	2.4
71.42634	1.6
72.99191	5.6
73.02803	2.3
81.03323	3.0
83.01264	3.0
85.02834	13.8
87.00748	3.9
89.02313	72.2
95.01253	5.2
96.95903	4.7
97.02795	1.6
101.02324	40.9
104.73442	1.4
106.25965	1.4
113.02327	26.5
119.03384	27.5
121.10095	7.8
131.03410	1.6
131.47237	1.3
139.11177	23.3
143.03403	2.8
149.04459	2.9
161.04503	3.0
163.11211	3.9
165.09131	30.0
166.09535	1.6
179.05562	2.7
181.12320	2.7
183.10161	16.6
194.99211	1.7
207.10170	5.1
301.02954	1.7
345.01855	1.9
345.15335	2.1
345.23157	1.3
346.02539	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1554
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01752	4.6
57.03316	5.7
58.00466	3.5
59.01251	78.0
69.03307	2.7
71.01253	100.0
71.44650	2.5
72.01581	1.8
72.81257	1.5
72.99194	5.3
73.02821	25.1
73.03206	2.6
75.00757	2.2
77.00138	1.6
83.01260	10.8
85.02820	35.8
87.00745	3.9
89.02319	42.3
93.03329	2.6
95.01273	7.1
96.95895	4.8
97.06470	1.9
99.00764	11.8
101.02324	67.3
113.02328	44.3
119.03386	20.1
125.02343	2.9
131.03325	2.3
143.03401	5.8
159.02873	8.1
161.04465	41.9
165.09135	11.5
179.05539	6.6
183.10191	5.2
207.02396	1.5
257.12857	2.1
259.01312	2.4
301.16589	11.7
336.57455	1.8
345.15536	43.0
346.15973	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1554
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
50.57373	0.6
55.01756	3.6
57.03327	4.0
58.00459	4.6
59.01251	100.0
60.01585	0.7
67.34193	0.6
68.63798	0.6
70.92610	1.5
71.01253	88.9
72.01588	1.0
72.99171	6.4
73.02815	13.2
75.00745	1.2
77.96375	0.6
82.77473	0.6
83.01261	7.5
85.02821	31.5
87.00761	2.8
89.02316	48.0
90.02673	0.8
95.01264	7.9
96.95874	1.3
97.02837	1.8
99.00757	8.6
101.02323	53.8
102.02705	1.2
112.57094	0.6
113.02332	33.6
114.02633	0.7
119.03385	19.3
121.10118	17.8
125.02393	1.4
129.01831	0.7
131.03395	1.1
143.03381	3.5
159.02901	2.9
161.02415	0.7
161.04465	16.3
164.97617	0.6
165.09154	6.3
166.93929	0.6
167.10622	1.0
179.05507	1.7
200.12758	0.6
270.98886	0.7
301.16623	1.6
345.15518	49.4
346.15756	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11903	0.4
52.78501	0.5
57.03328	0.6
59.01239	2.4
61.06617	0.4
69.03319	1.1
71.01234	0.7
71.24250	0.6
76.07551	0.5
81.03347	0.5
83.04900	1.1
89.02309	0.6
97.06453	0.6
99.08043	7.3
121.02859	0.5
121.10119	5.0
123.79060	0.4
125.09607	1.1
125.88577	0.4
127.11151	1.1
137.09625	1.3
139.11154	0.8
145.71942	0.4
156.31288	0.4
163.11124	0.5
171.10179	27.2
172.10518	1.4
175.11163	1.0
193.12271	11.8
194.12653	0.6
197.15523	0.7
211.13289	2.6
225.14915	14.5
225.17133	0.7
226.15228	0.9
242.05771	0.4
243.16013	6.1
246.05229	0.5
289.18152	0.8
293.21161	2.5
311.22058	0.7
313.03619	0.6
325.21280	0.6
343.24881	100.0
344.25201	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.5
71.01248	1.1
74.29401	0.5
89.02319	0.5
94.03304	0.5
99.08044	0.6
101.02281	0.5
110.47928	0.4
121.10117	9.8
125.09553	0.7
127.11143	2.2
137.09627	1.9
139.11177	4.3
142.77930	0.6
149.33336	0.4
153.09097	0.7
153.12750	0.6
165.09148	0.8
171.10182	65.6
172.10519	2.6
181.80544	0.4
193.01212	0.8
209.02383	0.5
210.02986	0.5
246.05356	0.8
293.21201	1.5
310.01080	3.4
311.22275	0.7
313.03598	0.8
325.03564	1.3
325.24081	0.5
343.04523	2.9
343.24881	100.0
344.25195	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.33460	0.4
52.50803	0.3
53.28833	0.4
57.03313	0.5
59.01245	2.5
69.03326	0.7
70.66846	1.1
71.01237	0.8
83.04869	0.6
88.18812	0.4
89.02284	0.7
96.95874	0.6
97.06451	0.6
99.08044	3.1
106.97756	0.4
113.09611	0.8
121.02837	0.7
121.10115	6.1
121.23549	0.3
125.09589	1.1
125.12591	0.3
127.11189	2.1
130.17253	0.3
137.09601	1.4
139.11171	1.6
151.11162	0.5
153.09164	0.8
165.09149	0.7
165.12656	0.4
171.10173	48.0
171.77946	0.3
172.10492	1.7
182.07916	0.4
193.12259	6.5
211.13297	1.1
225.12743	0.8
225.14876	7.7
226.15204	0.5
243.15901	3.2
244.16380	0.4
267.11295	0.4
293.21201	6.7
294.21716	0.5
299.20322	0.5
313.03787	0.5
343.08157	1.2
343.24866	100.0
344.25201	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63506	0.4
53.26932	0.4
57.03307	0.6
59.01250	21.2
59.05462	0.4
59.50514	0.4
66.62614	0.4
67.05380	0.6
69.03300	0.9
71.01223	0.7
71.04842	0.7
71.33904	1.0
72.99185	3.1
79.95595	0.9
83.04893	5.9
89.02322	0.5
89.32689	0.5
93.03313	0.8
95.04866	0.5
96.95884	2.5
111.04401	8.7
141.12717	0.5
147.21336	0.5
156.65654	0.4
171.13805	1.6
189.16487	0.6
191.18015	4.5
192.18338	0.5
205.15912	0.6
217.15912	0.9
219.17500	1.4
221.19069	0.9
225.18451	1.0
235.16794	0.6
237.18561	14.7
238.18890	1.6
249.49614	0.5
255.23390	0.5
256.99759	0.5
265.18109	6.3
283.19119	5.7
284.19403	0.5
301.20193	100.0
302.20523	10.9
333.81381	0.5
343.08633	1.7
343.21259	16.9
344.21619	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2124
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.25898	1.3
57.03328	7.3
59.01251	16.7
69.03333	3.5
69.23078	4.1
69.23497	12.8
71.01250	6.8
71.04887	3.5
73.02791	1.9
75.44130	1.6
80.02537	3.7
81.03329	4.4
83.01291	1.6
83.04901	21.2
84.02047	3.9
85.02832	3.8
85.06454	1.9
89.02302	2.2
95.04909	4.4
96.95907	8.5
97.02834	2.4
97.06461	2.2
99.08028	2.7
101.38680	1.5
109.06458	4.5
111.08031	1.9
112.34113	1.4
113.05941	4.0
123.08056	3.1
125.05963	3.4
125.09576	4.3
125.21375	1.6
127.07521	1.5
129.05469	4.0
129.09079	1.7
132.79451	1.5
137.09637	4.8
139.07584	2.5
141.09099	2.2
143.07008	2.2
143.10739	1.8
151.11153	2.0
157.08641	6.6
163.11211	12.7
165.12744	6.9
171.10130	7.9
181.08600	2.4
181.12227	2.0
183.13904	2.6
185.11743	5.8
197.11794	6.4
201.11324	4.5
207.10141	3.0
209.11778	100.0
210.12091	7.0
211.13354	8.6
221.11729	1.6
225.11223	2.8
227.12944	1.6
229.14404	10.2
239.12860	1.9
256.99698	2.3
301.20261	2.8
307.19238	5.8
313.03531	3.2
321.14240	1.7
325.20462	4.0
328.06009	1.7
343.08313	2.5
343.15005	3.7
343.21274	93.2
344.21460	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1033
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.00953	0.7
59.01250	14.7
64.75944	0.4
70.08562	1.9
93.03309	0.5
94.40850	0.4
95.04893	1.2
107.04937	0.6
109.02834	5.9
109.06475	3.4
119.04905	5.1
121.02082	0.5
121.02850	6.5
122.03619	1.2
135.04422	5.2
137.05980	29.7
138.06306	1.2
138.88673	0.4
163.04002	0.4
181.04977	100.0
182.05330	5.2
343.10394	9.5
343.14395	0.6
344.10455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1398
Annotation	Taxuside
Peak:m/z	Relative Intensity
55.01760	10.7
57.03320	9.0
57.50876	1.5
57.71664	1.5
58.00455	2.2
59.00953	2.8
59.01251	55.5
67.01765	1.7
68.99667	2.3
69.03313	7.1
70.83141	1.9
71.01255	100.0
72.57364	1.5
72.99193	4.6
73.02444	2.5
73.02821	30.9
77.61956	1.7
80.02543	14.8
81.03328	9.6
83.01254	12.6
83.04896	4.0
85.02821	66.8
85.99963	1.8
86.03128	1.9
87.00751	11.6
89.02311	16.7
93.03335	3.8
95.01262	19.8
95.04912	8.0
96.95883	18.8
97.02819	12.1
97.06470	2.3
99.00777	11.0
101.02327	41.8
106.96413	1.6
109.02830	2.6
109.06451	3.5
113.02330	35.1
119.03401	3.9
119.08549	55.8
121.02843	3.2
121.06460	3.1
121.10162	3.6
124.01530	5.4
125.02316	2.4
127.07515	4.0
129.01863	2.5
135.08057	6.5
137.09622	58.3
139.11243	8.5
151.03922	2.6
155.10674	6.0
159.02879	4.5
160.24467	2.0
161.04451	8.5
163.07556	13.4
165.09119	20.2
171.10042	1.9
179.03198	1.7
179.05408	1.6
179.06950	2.3
179.10583	2.6
180.07834	19.4
181.08617	66.9
182.08951	3.7
183.10263	2.5
191.10599	3.6
236.21101	2.0
241.00140	1.9
256.99689	2.7
308.47415	1.9
329.55753	1.9
342.99820	1.7
343.10556	6.6
343.14163	26.1
343.21182	5.4
344.14536	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2124
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03311	3.2
59.01237	4.2
61.27622	0.7
69.03329	1.7
69.27961	0.7
69.28284	6.5
69.50452	0.7
70.42105	0.8
71.01257	1.6
71.04888	2.0
79.95622	0.9
81.03313	1.0
83.04895	2.5
84.02029	3.8
85.02813	3.9
85.06477	2.0
87.04385	3.2
93.03326	1.2
93.68456	0.7
95.04898	7.8
96.95889	8.2
97.06470	1.5
98.20551	1.7
99.04376	0.9
106.13811	0.7
111.04375	0.8
113.05962	1.7
123.04314	0.7
123.08025	0.8
125.09628	2.0
127.11192	2.2
135.08054	1.3
155.10690	1.3
155.14314	0.8
155.47148	0.7
163.11192	0.9
167.11856	0.7
171.10181	14.1
177.12766	0.9
181.12257	0.9
183.13835	2.3
185.11687	1.3
193.12265	1.2
199.13312	1.8
209.11819	3.8
211.13319	16.4
212.13586	1.1
221.11752	1.5
223.13353	0.9
225.11084	1.0
229.14410	20.5
230.14711	1.6
237.14932	8.8
238.15277	0.8
238.98822	1.0
239.12903	1.2
245.19138	0.9
249.14899	2.8
256.99625	3.4
267.16003	0.9
277.52487	0.8
289.18140	1.4
299.00955	1.4
307.19159	1.0
325.20175	6.9
342.99835	1.0
343.21228	100.0
344.21527	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.124
Annotation	Bidenoside D
Peak:m/z	Relative Intensity
55.01770	1.8
57.03323	1.4
58.00469	3.4
59.01252	100.0
69.03355	1.2
70.52905	1.0
71.01252	77.8
71.08147	2.6
72.01608	1.2
72.99177	6.6
73.02818	8.5
75.00704	1.2
83.01250	5.9
85.02822	13.4
87.00761	4.8
89.02317	70.5
95.01249	6.3
96.95894	1.9
97.02819	12.6
99.00755	1.6
101.02322	45.3
112.10105	1.1
113.02333	25.7
117.06976	1.2
119.03390	25.8
131.03378	3.3
134.03625	2.8
135.04414	1.4
143.03386	5.9
146.19804	1.2
149.04416	1.7
149.05998	1.9
151.07568	1.0
158.32787	1.1
161.04472	5.7
161.06001	7.3
179.03471	3.0
179.05530	18.5
179.07050	3.0
184.50600	1.1
276.85284	1.3
324.22693	1.1
341.12494	50.8
342.12805	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.6
59.01254	7.5
63.87860	0.5
69.03312	2.0
71.01257	3.8
71.33036	0.7
73.09482	0.5
83.04901	1.7
84.02047	11.2
85.02795	0.8
89.02312	6.0
97.02830	2.8
97.06472	9.1
99.04381	2.8
101.02325	2.4
111.97334	0.5
112.83866	0.4
113.02324	2.2
119.03423	2.5
119.08554	0.5
125.09608	1.7
127.11152	0.6
135.08025	1.0
137.09619	1.7
143.03429	0.6
149.13100	0.4
149.68170	0.5
156.16466	0.4
161.04510	1.2
165.12805	0.7
171.10182	17.7
172.10489	0.7
175.11137	0.7
177.12793	0.7
179.05540	2.7
183.13832	4.9
185.11829	0.8
193.12285	12.8
194.12555	0.9
203.10660	0.5
211.13347	3.1
221.11821	0.9
225.12773	1.0
225.14925	16.5
226.15309	1.2
233.15346	0.8
243.16008	8.3
244.16454	0.6
253.14468	1.7
265.17896	0.7
291.19580	2.8
323.22348	0.8
341.11121	2.9
341.23300	100.0
342.23682	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40251	0.4
57.03315	1.3
58.00464	1.6
59.01251	27.8
61.18456	0.5
62.79432	0.4
67.01753	0.7
69.03338	2.3
71.01255	20.2
71.08994	0.6
72.01637	0.5
72.99177	1.4
73.02794	0.7
75.00726	0.4
78.84464	0.4
83.01251	0.6
83.04892	1.4
84.02054	3.4
85.02816	2.8
87.00771	0.9
89.02315	18.0
95.01280	0.7
97.02837	1.3
97.06464	10.0
98.06814	0.5
99.04388	1.2
101.02321	7.7
113.02337	7.0
115.91647	0.5
119.03381	6.3
119.08578	0.5
125.09637	0.9
131.03371	1.0
137.09604	1.0
142.36427	0.4
143.03412	1.7
149.04492	0.5
149.13246	0.9
151.11189	0.6
161.04459	2.2
165.12695	0.9
171.10191	8.5
175.11269	0.9
179.05537	7.4
183.13847	4.0
185.11748	0.6
193.12282	13.3
194.12627	0.8
211.13351	8.0
221.11821	1.5
223.16946	0.4
225.14914	19.3
226.15331	1.3
233.15500	0.4
243.15982	8.3
253.16374	9.0
254.16725	1.1
286.32098	0.5
291.19653	1.4
341.10989	7.3
341.23325	100.0
342.11053	0.5
342.19427	0.6
342.23697	11.4
363.55313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0457
Annotation	Aflatoxin-M1-8,9-epoxide
Peak:m/z	Relative Intensity
51.60269	0.8
54.53765	0.8
59.01259	5.2
61.98711	1.1
70.08644	4.2
71.01243	1.5
75.97957	0.8
89.02320	1.1
93.58980	0.8
96.67082	0.7
97.28957	0.8
101.02327	1.0
119.01297	1.1
121.10114	1.3
132.02045	1.8
136.67227	0.8
139.80974	1.0
147.00778	7.1
148.01579	5.8
156.02055	1.5
170.03633	1.2
171.10199	9.5
172.01584	1.9
175.00430	1.5
176.01051	4.4
181.08527	1.0
182.03624	3.8
185.02341	5.0
186.03041	1.1
193.01367	23.4
194.03609	2.2
198.03183	7.2
200.00929	2.0
200.04617	1.1
209.02328	9.4
210.03165	8.4
211.03802	1.8
212.01067	1.2
213.01851	2.7
222.03218	1.8
225.01912	2.4
225.77858	0.9
226.02661	6.8
227.03415	3.4
230.02040	1.0
237.01909	2.2
238.02666	8.3
239.03441	2.4
246.05264	2.3
253.01390	1.9
254.02164	11.4
255.02711	1.2
265.01401	2.9
266.02176	8.6
267.02704	1.1
281.00934	1.4
282.01602	2.4
284.03336	2.0
293.00797	0.9
293.21390	0.9
298.01202	2.4
310.01181	100.0
311.01450	7.3
313.03662	1.1
325.03510	46.3
326.03839	3.0
328.02231	27.1
328.05676	1.1
329.02448	2.8
343.04572	80.6
343.21454	1.3
343.24893	23.7
344.04932	8.4
344.25339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18194	0.4
54.59811	0.5
59.01252	100.0
60.01586	1.2
69.94672	1.0
69.95064	1.2
71.01265	0.5
98.20513	0.6
98.50732	0.4
125.97032	0.4
127.76729	0.5
152.70839	0.5
163.11203	2.1
190.33269	0.4
197.17053	0.4
215.01656	0.5
251.23929	0.5
279.23257	5.7
280.23703	0.5
297.24347	39.5
298.24625	4.4
339.20038	1.3
339.25470	11.0
339.29227	0.7
340.25760	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
51.38476	0.5
53.66574	0.6
56.79218	0.6
57.01655	0.5
57.03313	0.9
58.00467	1.3
58.30650	0.5
58.31837	0.5
59.01254	19.2
68.89334	0.6
68.94466	0.5
69.67800	3.3
71.01254	17.6
72.30186	0.6
72.99189	0.9
78.95728	0.8
85.02821	2.5
87.00765	0.8
88.11165	0.5
89.02318	18.1
89.02844	1.2
90.06145	0.7
91.05400	0.6
93.03360	0.7
95.01267	0.8
101.02333	7.9
107.04911	1.1
113.02346	6.8
119.03387	7.4
134.03625	3.4
134.20888	0.6
135.04417	100.0
135.65227	0.6
136.04762	4.4
143.03397	1.6
150.06850	0.9
161.04482	1.5
168.88657	0.6
179.03426	71.0
179.05484	5.9
180.03804	4.1
210.38889	0.5
314.60059	0.7
341.11371	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
50.89465	0.4
58.00442	0.6
59.01251	16.3
70.90704	1.2
71.01252	13.6
72.99171	1.2
83.01288	0.5
85.02839	1.8
87.00744	1.2
89.01752	0.8
89.02316	16.2
89.53385	0.5
95.01273	1.5
101.01708	0.5
101.02325	7.0
107.04877	1.0
113.02322	5.6
114.17011	0.4
119.03382	6.3
123.26572	0.4
127.78040	0.5
131.03386	1.0
134.03613	2.2
135.04410	92.0
136.04776	2.6
143.03381	1.7
148.87920	0.5
161.04465	2.1
179.03416	100.0
179.05397	4.8
180.03731	3.5
341.08749	6.9
341.11227	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.6
57.03319	0.7
58.00456	1.7
59.01251	34.7
59.51215	0.7
71.01257	27.5
71.35814	0.9
72.99164	2.0
73.02803	1.2
79.95589	2.2
80.96400	1.1
83.01237	1.8
85.02845	4.5
87.00726	1.4
89.02315	30.2
95.01244	1.1
96.95889	65.2
101.01714	1.1
101.02326	15.8
113.02333	10.2
119.03387	10.9
131.03355	1.7
135.04327	1.0
143.03392	2.9
149.04419	1.6
150.83994	0.7
161.04489	3.9
161.05637	0.9
179.03351	1.8
179.05461	12.2
179.06961	1.2
180.97989	1.7
241.00221	2.9
341.08972	100.0
342.09216	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
53.36345	0.3
55.01762	1.1
57.03073	0.4
57.03334	1.7
58.00464	4.2
59.01250	100.0
60.01578	0.8
60.08048	0.3
65.46295	0.3
71.01253	75.0
72.01595	0.9
72.39571	0.3
72.99172	3.9
73.02820	2.2
83.01253	2.8
85.02821	8.8
85.60445	0.4
87.00748	4.7
89.02316	88.7
90.02644	1.7
90.53717	0.3
95.01254	3.8
97.02825	0.6
99.00789	0.5
101.02324	35.8
102.02689	0.4
104.19481	0.3
107.03376	0.6
111.00761	0.4
113.02331	28.9
114.02644	0.4
115.03932	0.5
119.03387	31.2
120.03752	1.0
125.02341	1.5
125.81936	0.5
129.01865	0.6
131.03386	4.4
132.70143	0.3
135.04300	0.5
143.03400	7.9
143.04543	0.4
144.92570	0.3
149.04443	3.0
150.62277	0.4
157.12581	0.3
161.04463	8.6
172.34329	0.4
179.05531	31.0
180.05875	1.0
234.71262	0.3
308.81775	0.5
341.10892	31.2
342.11118	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33877	0.8
59.01253	100.0
59.44305	0.9
59.79669	1.0
60.01587	1.7
71.01244	1.7
71.52452	1.1
78.31219	1.0
89.26644	0.9
96.95913	1.2
151.15741	1.1
163.26157	1.0
191.05499	3.1
331.96338	1.1
340.18878	1.1
359.61514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.202
Annotation	(E,E)-(-)-11-Dimethyl-3-[(acetyloxy)methyl]-7 2,6,10-dodecatriene-1,5-diol 1-acetate
Peak:m/z	Relative Intensity
56.87844	3.1
58.92400	2.7
59.01249	100.0
70.10075	2.9
85.02836	5.2
98.20621	10.5
113.02261	3.5
131.89941	2.9
198.30995	3.8
206.06386	3.3
229.88666	4.9
256.52939	3.1
273.66974	3.6
337.10992	6.3
337.20093	19.2
338.20563	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0721
Annotation	AESCULIN
Peak:m/z	Relative Intensity
55.50893	0.5
58.73102	0.4
59.01245	3.6
59.89315	0.4
63.26430	0.5
64.24812	0.4
69.30738	1.7
69.31165	2.9
71.01257	0.8
73.02813	0.6
73.91586	0.5
89.03858	1.3
96.30510	0.4
98.20502	1.0
98.64537	0.5
98.80726	0.5
105.03355	1.5
113.02302	0.8
124.20959	0.4
124.93629	0.5
133.02840	5.0
143.89151	0.6
153.98247	0.5
176.01053	1.7
177.01852	100.0
178.02182	5.0
304.67465	0.5
339.07208	10.3
340.07651	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2325
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.99192	0.3
71.29636	0.6
71.29987	0.5
133.22655	0.3
148.67313	0.4
156.00186	0.3
163.11188	100.0
164.11530	4.5
249.81580	0.3
339.23248	64.6
340.23608	7.2
349.39456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.58439	0.2
56.77727	0.2
59.01250	2.4
60.99178	0.3
62.87757	0.2
67.01759	1.5
69.03320	0.6
71.01261	1.4
71.09287	0.4
73.02811	0.4
80.82912	0.2
81.03354	0.5
83.04896	0.5
85.02824	12.0
86.03157	0.2
87.00745	3.8
93.03337	9.4
93.03925	0.5
94.03656	0.3
99.00757	0.4
99.04430	0.7
109.02844	1.1
111.04413	2.0
113.02332	0.4
116.19186	0.2
117.03340	0.4
119.04918	3.3
127.03911	3.1
136.33331	0.2
137.02307	0.2
145.02869	1.1
155.03383	0.3
163.03917	2.1
171.02864	0.8
173.04472	2.4
175.55074	0.2
180.74210	0.2
180.76079	0.2
187.11366	0.2
191.05540	100.0
192.05875	3.6
246.77663	0.3
337.09277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.8
59.01247	4.2
60.99184	0.8
61.43530	0.5
67.01762	5.2
69.03307	1.0
71.01244	1.8
71.29575	1.1
81.03320	0.8
83.04905	0.8
85.02822	7.3
87.00752	6.0
90.14198	0.5
93.03333	25.3
94.03676	0.9
99.04411	0.6
109.02800	0.6
111.04390	4.0
119.04901	10.0
127.03891	1.8
129.01863	0.8
145.02824	1.6
151.96181	0.6
155.03397	0.7
163.03922	7.7
164.04228	0.5
171.02980	0.7
173.04477	7.9
191.05533	100.0
192.05901	3.9
227.00645	0.5
335.08957	0.6
337.09286	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.9
56.75153	0.8
57.03302	2.2
58.00454	3.2
59.01248	85.4
60.88411	0.8
63.03623	0.8
67.61480	0.9
69.70044	2.8
69.70454	1.6
71.01250	56.3
72.99172	5.9
73.02815	2.0
75.00738	1.0
75.90171	0.9
79.80189	0.8
83.01269	2.0
85.02822	9.9
87.00739	2.6
89.02313	51.3
90.02657	1.2
93.03323	1.0
95.01271	4.7
96.95877	2.2
101.02322	33.0
110.12428	0.8
113.02325	18.6
113.09608	1.6
116.78474	0.8
118.94079	2.4
119.03381	24.0
119.39236	0.8
127.26994	0.8
130.35709	0.7
131.03365	2.1
135.04387	1.5
142.41660	0.8
143.03384	1.9
149.04395	1.6
161.04439	2.7
163.03856	1.1
175.09752	1.3
177.36024	0.8
179.05536	2.3
191.05550	6.9
291.81259	0.8
317.60388	0.8
337.15015	100.0
338.15469	6.1
355.83420	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79376	1.6
58.23778	1.1
59.01252	25.1
80.51181	1.0
92.10187	1.1
117.16450	1.1
125.26629	1.2
171.03902	1.2
174.43289	1.2
205.19583	1.6
243.05034	1.1
249.18578	100.0
250.18881	7.8
331.18890	12.1
332.19348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0616
Annotation	3,5,7,3',4'-Pentahydroxy- 6'-hydroxymethylflavanone
Peak:m/z	Relative Intensity
56.48214	0.9
59.01239	2.3
63.02264	3.6
65.00191	5.7
69.20917	6.8
69.21325	1.7
71.01248	3.0
78.95731	1.2
79.61943	1.0
83.01251	4.0
85.02828	1.8
85.85172	0.8
93.03335	2.7
96.95875	2.3
98.19705	1.5
98.21333	0.8
101.02309	2.1
107.01263	9.9
117.03332	2.0
123.04439	2.1
124.01526	1.7
132.02058	1.8
135.00845	0.9
139.00266	1.1
147.04303	0.9
151.00276	29.9
152.01106	7.8
159.04396	2.4
161.04347	0.8
163.00198	1.2
164.01123	1.3
165.01768	1.7
167.03380	3.0
167.04831	1.3
169.01326	2.3
178.99791	11.4
182.03676	1.9
183.04437	8.3
185.02414	1.4
185.06042	1.0
187.03990	1.0
195.03020	1.5
196.05200	1.2
211.03888	4.6
213.05515	1.9
213.14937	1.4
227.03470	18.3
228.03859	1.6
239.03525	2.5
240.04135	2.8
247.13768	1.6
255.02969	79.7
256.03610	15.8
257.04633	4.3
260.92532	1.0
283.02475	39.9
284.00018	2.2
284.03244	60.3
285.03940	17.2
315.05103	100.0
316.05463	8.4
318.02963	1.3
333.06100	13.0
333.19238	1.4
334.06387	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84444	0.4
58.99472	15.3
59.01257	3.0
61.54634	0.4
69.33819	1.5
69.34241	2.4
71.01259	0.8
74.98978	1.9
75.97189	0.4
96.95880	1.5
101.02344	0.5
102.98473	100.0
103.98815	1.5
113.09616	0.5
120.99541	8.4
125.30828	0.5
127.99356	0.4
139.11163	3.2
163.00616	4.6
166.61215	0.4
203.10922	0.5
293.75494	0.5
295.89264	0.4
324.05667	0.5
333.13699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.1
57.03326	0.8
58.99458	0.4
59.00960	0.6
59.01250	10.6
68.99658	0.5
69.03326	0.7
71.01253	11.4
71.53271	0.5
72.99173	1.3
73.02819	3.9
83.01255	2.1
85.02822	5.7
85.99989	0.5
87.00758	2.0
87.01203	0.3
89.02316	1.2
93.03319	0.5
94.76367	0.4
95.01258	1.1
96.95882	1.2
99.00751	1.5
101.02322	6.5
106.01595	0.3
111.00750	1.3
111.08065	0.6
113.02331	2.4
118.67960	0.4
125.02302	0.6
127.11184	1.7
155.10646	1.2
161.04555	0.4
173.11751	36.9
174.12062	1.8
185.11768	0.5
187.13268	0.6
191.05573	0.9
196.25826	0.4
229.34859	0.4
235.70937	0.4
246.76195	0.3
263.43735	0.3
293.05161	0.6
317.16095	3.2
318.16522	0.4
335.17105	100.0
336.17474	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
52.91404	0.4
57.03315	0.6
58.00460	1.5
59.01250	8.1
69.03336	0.5
71.01257	0.5
71.21080	0.7
72.99174	0.6
79.95586	0.4
83.04884	0.5
93.03332	0.5
97.06489	0.8
99.08033	8.6
113.09611	0.8
125.09618	0.6
127.07545	2.1
129.09120	7.7
151.11157	0.6
152.09541	0.5
155.14230	0.6
167.06961	0.5
169.12267	6.1
171.10117	0.7
179.80397	0.5
181.12267	4.5
183.13803	1.5
191.05565	0.6
193.12262	1.4
197.11777	1.8
199.11470	1.1
199.13321	21.3
200.13680	1.0
211.13329	13.2
212.13699	1.1
223.56371	0.5
227.12793	1.5
229.08759	0.7
229.14441	1.7
260.66605	0.5
293.21268	2.3
301.08182	0.5
309.21033	0.6
311.22409	3.2
329.23322	100.0
330.23700	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
53.01068	0.5
58.00476	0.8
59.01252	12.9
69.24529	0.4
70.68465	1.0
70.77505	0.5
84.02045	0.7
99.08038	1.7
124.53745	0.5
125.09608	3.9
127.11167	6.3
129.09091	1.4
137.09641	0.9
139.11185	5.4
141.09119	0.6
153.09106	0.8
155.10666	3.1
165.09181	1.4
171.10181	28.4
172.10472	1.4
183.10281	0.5
185.11726	2.2
186.36508	0.5
190.09834	0.6
197.11697	0.8
199.09662	0.9
199.13347	1.2
201.11258	20.4
201.99884	0.4
202.11646	1.0
211.13258	1.2
213.11214	0.5
229.14388	0.6
275.20178	1.7
287.22342	3.0
292.66217	0.5
293.21274	2.4
311.22458	2.6
311.38370	0.5
324.38293	0.5
329.23328	100.0
330.23642	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
52.93310	0.5
57.03321	0.9
68.46262	0.6
71.02569	1.6
83.04903	0.7
83.25274	0.5
99.08034	5.1
114.20700	0.6
125.09583	1.9
127.11153	2.6
129.09062	0.7
139.11192	1.3
155.14281	1.1
165.12596	0.7
167.14304	1.9
171.10210	4.5
183.13831	5.9
193.12277	2.0
209.11838	1.5
211.13330	30.8
212.13651	1.9
229.14415	18.3
230.14832	1.1
282.90918	0.6
293.21271	1.2
329.23303	100.0
330.23654	8.8
352.77405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0459
Annotation	Quercetagetin 4'-methyl ether
Peak:m/z	Relative Intensity
51.02267	0.4
54.17204	0.4
60.33347	0.4
63.02266	1.3
65.00191	3.5
67.01772	0.6
68.99681	0.7
69.24323	4.2
70.54702	0.4
82.00533	0.4
83.01251	1.7
87.53343	0.4
88.83353	0.4
91.01781	0.8
95.01263	5.7
96.99183	0.4
98.19811	0.7
106.82924	0.4
107.01270	5.8
108.02078	3.6
109.02822	1.2
109.99979	11.4
111.00774	6.3
116.14174	0.4
119.12630	0.5
123.00772	7.8
123.04404	3.8
124.01566	5.5
124.98722	0.7
125.02338	2.0
125.99501	0.5
135.00754	1.3
136.01541	1.2
136.98688	1.7
137.02319	0.6
137.99487	4.2
139.00270	12.1
139.03947	0.7
145.02850	0.5
146.03612	1.1
148.01561	1.9
149.02426	0.8
149.99397	0.5
151.00272	15.9
151.03842	0.8
152.01060	9.0
153.01804	1.7
159.04346	0.8
161.02423	0.4
163.00275	7.5
163.03967	0.6
164.01060	5.8
164.98239	0.4
165.98988	9.9
166.99754	2.9
167.03392	0.8
170.03624	0.8
171.04436	1.1
172.05191	1.4
173.02295	0.8
174.03116	1.4
175.03976	0.9
177.01921	0.6
178.99789	12.0
180.00499	1.1
181.01375	0.7
184.05180	0.5
186.03078	0.6
187.03952	2.2
188.04666	1.5
189.01854	0.9
190.02580	0.6
198.03159	1.4
199.03946	2.4
200.04707	1.2
201.01863	0.8
202.02606	1.1
203.03409	1.2
204.04095	0.9
206.99249	1.3
208.00116	1.1
211.03813	0.5
213.01819	0.9
214.02649	2.3
215.03450	2.8
216.04173	2.9
217.01370	1.0
217.04688	0.5
218.02094	0.5
219.02971	0.5
226.02614	2.5
227.03439	2.8
228.04195	1.3
229.01442	0.7
231.02937	0.9
232.03630	1.6
241.01482	0.6
242.02213	3.5
243.02939	6.4
244.03685	5.2
245.00810	0.5
245.04329	0.5
246.01563	0.5
247.02252	0.4
254.02269	0.9
255.02930	2.3
257.04578	0.8
259.02454	2.3
259.06097	3.4
260.02899	1.2
261.03973	0.9
269.01230	0.4
269.04364	0.5
270.01590	2.6
271.02426	8.1
272.03195	5.1
275.05594	2.6
285.04034	3.5
286.04407	0.6
287.01974	3.1
287.05600	9.3
288.02451	2.2
288.05597	0.9
289.03348	1.3
298.01178	0.7
299.01871	5.4
300.02606	1.1
303.05014	8.1
304.05386	0.8
313.03433	1.2
314.04077	0.7
316.02200	29.5
317.02551	2.4
331.04568	100.0
332.01584	0.4
332.04910	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03318	1.4
59.01244	0.6
60.49279	0.4
61.69331	0.4
69.03323	0.9
69.56165	0.7
69.56570	2.2
71.01254	0.6
80.02595	0.4
83.04909	1.2
84.02049	0.6
84.67741	0.5
85.02823	4.3
95.04910	1.3
97.02875	0.4
97.06471	4.4
101.13034	0.4
109.06469	0.5
117.43033	0.6
123.08037	0.9
125.05956	0.4
125.09609	1.7
127.11187	2.1
137.09618	1.3
142.32047	0.4
151.11180	0.5
155.10655	1.3
155.14363	0.8
163.11237	0.7
165.12723	1.0
167.10645	0.5
167.14319	1.1
171.10182	10.1
172.10481	0.6
177.12689	1.0
181.12199	0.5
183.13837	5.0
185.11771	1.7
193.12320	1.1
197.11743	1.0
203.10672	0.6
206.29083	0.4
209.11749	2.0
211.13335	26.0
212.13620	1.3
221.11810	4.1
229.14404	17.0
230.14816	0.7
239.12817	2.6
247.20975	0.4
291.19632	4.8
309.20700	1.8
310.21100	0.4
327.21753	100.0
328.22095	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.70483	1.3
57.03315	2.4
59.01236	3.4
70.79411	2.1
70.79753	1.6
71.01249	2.0
72.76694	1.0
73.02808	2.0
74.58883	1.2
81.94532	1.0
83.04891	4.7
84.02041	2.0
89.96550	1.0
97.06484	1.6
98.03631	2.1
99.08041	2.3
111.08058	1.1
115.07557	1.4
125.09574	2.6
127.07551	2.9
129.09105	29.5
130.09395	1.1
131.93932	1.1
141.09122	10.7
155.10649	1.3
163.11124	1.8
165.12752	2.5
168.06332	1.2
171.10228	1.3
185.11765	42.8
186.12083	2.1
196.89238	1.1
197.11766	43.7
198.12117	3.0
199.13387	1.9
209.11769	44.0
210.12112	3.1
211.13391	1.2
227.12854	3.7
267.10852	1.1
291.19534	10.2
292.20050	1.2
309.20731	18.6
310.21198	1.3
327.21774	100.0
328.22031	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63460	0.4
57.03313	1.5
58.00475	0.5
59.01243	1.1
69.03323	0.6
69.23080	4.1
71.01257	0.9
72.97643	0.3
73.02785	0.4
73.14566	0.4
80.02529	0.5
80.84905	0.4
83.04872	1.2
84.02055	0.5
85.02825	4.3
95.04905	1.1
97.06460	5.3
109.06468	0.4
110.03631	0.7
111.04372	0.4
115.47201	0.3
123.08099	0.4
125.09600	1.4
127.11169	1.5
134.26637	0.3
155.10698	0.6
155.14291	0.6
165.12759	1.3
167.14348	1.1
171.10194	7.6
172.10571	0.5
177.12750	1.5
181.12175	0.6
183.13841	4.7
184.14191	0.6
185.11717	1.7
193.12239	2.1
197.11737	0.5
203.10660	0.5
209.11763	1.7
210.03362	0.5
211.13339	24.1
212.13670	1.1
221.11795	3.6
222.12126	0.5
227.12778	0.5
229.14395	16.3
230.14679	1.0
239.12802	3.0
247.20767	0.6
286.33954	0.4
291.19690	4.8
294.01831	1.9
309.03824	0.5
309.20709	1.3
312.02686	0.4
327.04932	1.2
327.21759	100.0
328.22119	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0509
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
57.03320	2.1
59.01245	10.6
61.26488	1.7
71.01247	6.6
71.53288	2.7
79.99297	1.7
85.02795	2.7
89.02312	3.3
99.38446	1.9
103.01103	1.7
109.33000	2.4
121.02874	2.9
132.01982	2.4
134.75362	2.2
149.02425	1.9
155.10767	1.9
171.10159	5.6
172.01546	2.7
178.04199	3.2
178.99808	2.2
180.00334	1.8
182.03612	2.8
183.01051	1.8
183.10216	3.5
188.08456	2.0
194.03690	19.3
196.01573	7.9
197.11752	7.5
209.02417	12.3
210.03151	9.5
211.13310	4.1
227.12842	2.5
228.13109	4.2
237.01814	3.1
238.02734	17.7
239.03290	3.0
242.93903	1.9
250.02708	7.8
264.09241	1.9
265.01401	17.7
266.02158	10.5
267.03030	1.9
282.01578	4.6
291.19580	3.1
293.00912	6.6
294.01703	100.0
295.02017	8.5
309.00830	2.4
309.04114	32.1
309.20776	2.3
312.02817	45.3
313.03098	5.5
327.05099	86.0
327.15854	3.4
327.22095	38.3
328.05551	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51205	0.3
57.03325	0.3
59.01220	0.4
65.17718	0.3
71.02248	0.8
71.02586	0.4
78.07000	0.4
79.49532	0.3
79.95609	20.4
80.96393	2.8
95.95104	10.8
96.95890	100.0
109.84311	0.3
123.04440	0.3
133.17102	0.3
135.08043	0.7
141.95660	0.5
149.99789	2.4
154.31238	0.3
163.00627	0.9
185.13232	1.3
190.81757	0.4
201.12776	0.5
203.14375	2.4
215.03889	0.4
229.05351	0.7
229.12366	0.5
237.32608	0.4
239.63869	0.4
244.17943	0.3
247.13371	6.6
248.13695	0.8
283.10181	0.7
327.09064	94.2
328.09375	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.61467	1.1
57.03312	2.7
58.00480	2.1
59.01249	9.1
69.03336	1.4
71.01255	5.3
71.53868	1.4
71.54246	1.7
83.04877	2.1
84.02036	3.7
85.02824	3.3
89.02338	1.4
94.42921	1.1
97.06453	1.7
99.08025	4.4
101.02299	1.8
113.02316	1.2
113.09618	1.4
123.08042	1.3
125.09609	5.2
125.11293	1.2
127.11145	3.1
137.09639	3.7
137.10704	1.3
139.11172	2.0
141.09109	1.6
150.14128	1.1
155.10670	3.7
155.14301	1.7
163.11191	1.4
165.12778	1.3
171.10185	21.9
183.10257	2.8
183.13867	2.0
185.11742	10.5
197.11792	8.2
199.13327	2.9
201.11234	7.7
209.11694	2.1
211.13359	3.4
227.12785	2.6
229.14383	38.3
230.14792	2.7
247.20618	2.6
265.21756	2.5
291.19766	6.2
309.20932	6.9
327.13098	2.4
327.21802	100.0
328.22025	8.8
345.97012	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.38000	0.5
57.87433	0.5
58.00463	1.4
59.01245	2.2
71.01250	0.9
71.01834	1.4
85.02818	1.0
89.02311	0.6
97.06465	2.2
101.02338	0.7
108.64540	0.4
111.08024	0.5
118.64241	0.5
130.69069	0.5
134.03612	0.5
137.86656	0.5
140.71095	0.5
153.12796	1.5
155.14333	3.9
167.14307	0.9
171.10121	0.9
181.10001	0.5
181.25775	0.5
183.13828	6.4
187.07538	0.6
197.11687	1.0
199.13319	6.6
211.13309	4.8
227.12854	3.6
229.14406	100.0
230.14746	6.2
234.50090	0.5
269.17651	1.1
283.13513	0.6
291.19669	2.1
309.20752	8.8
310.21136	0.5
327.12607	0.6
327.16193	0.8
327.22089	6.4
328.22232	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11681	2.5
55.01743	2.9
55.49787	2.8
57.03320	8.9
58.00461	9.2
59.01254	42.0
69.03338	3.6
69.97243	8.9
71.01260	28.5
72.99188	3.7
73.02814	9.2
81.03327	3.4
83.01263	3.9
83.04890	8.1
84.02067	4.4
84.49938	2.8
85.02820	9.8
87.60934	2.8
89.02327	5.0
95.04932	3.6
97.06476	4.9
101.02317	11.1
106.04093	5.6
109.06490	7.5
111.08049	48.6
113.02338	5.3
123.08052	20.9
124.81316	2.9
125.09615	14.3
127.07574	3.3
127.11197	11.0
133.06448	3.3
135.08064	17.2
137.09630	3.4
139.11217	4.1
151.11179	4.7
152.36768	3.2
153.09126	11.1
153.55873	2.9
155.10661	9.3
160.45850	3.0
161.04482	5.0
163.06023	4.3
163.11142	4.5
165.09256	3.5
167.10709	13.5
168.73067	2.7
169.12276	11.6
171.08760	5.3
171.10193	86.7
172.10576	3.5
183.01129	7.7
183.10197	9.6
185.11777	76.1
191.14316	5.0
193.07098	28.2
195.10184	6.7
197.11765	32.2
201.11272	91.6
202.11565	4.1
207.10303	5.3
209.11772	9.3
211.13258	3.5
213.11247	31.9
215.12885	5.5
225.14948	11.6
227.12823	7.2
237.14998	6.7
245.19135	9.5
263.20367	3.8
289.17920	18.6
307.19107	11.3
309.29898	3.0
325.11725	15.6
325.14673	5.7
325.20206	100.0
326.20596	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2171
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
53.53945	0.8
59.01247	2.3
63.03784	1.0
71.16977	2.3
79.95615	1.8
84.96240	0.9
87.68317	0.9
94.22585	0.8
95.65684	0.8
100.77966	1.1
101.02328	1.1
102.75777	0.8
149.07056	1.1
149.08707	1.7
149.09619	96.6
150.09946	5.7
163.11194	100.0
164.11494	4.9
170.00386	1.0
183.01128	28.6
184.01672	2.6
193.07036	1.3
197.02739	2.3
216.01004	1.4
316.23639	0.9
325.18347	52.6
325.21741	94.9
326.18655	6.0
326.22083	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
56.93620	0.4
59.01245	1.1
71.51793	0.7
72.67870	0.4
90.70900	0.4
101.02357	0.4
101.68769	0.4
119.04912	100.0
120.05244	3.5
138.73401	0.4
163.03911	96.1
164.04254	4.3
193.07080	0.8
204.27829	0.4
220.18475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31612	0.7
53.12136	0.5
56.42865	0.6
57.03321	0.8
58.00467	4.4
59.01249	3.9
71.01232	1.7
71.33865	1.2
71.34200	0.7
73.02808	0.7
83.04908	0.6
84.02048	1.1
86.14978	0.6
95.04890	1.2
97.06471	2.2
101.02312	1.7
111.84309	0.8
113.05968	1.4
115.07556	2.1
119.08607	0.6
120.11399	0.7
127.07549	3.6
151.11192	4.8
153.12782	5.3
155.14326	1.7
163.06042	0.9
163.11157	1.2
165.12761	2.9
169.12282	1.4
171.13840	1.5
181.12219	2.6
183.13831	2.4
191.10767	1.3
193.07120	2.4
197.11778	9.1
199.13335	30.2
200.13678	1.3
209.11742	7.3
211.13313	2.3
215.12827	6.2
227.12840	100.0
228.13156	6.0
229.14412	15.5
245.19084	1.8
247.90875	0.7
263.20264	0.9
269.21283	1.0
289.17984	3.6
297.20673	1.6
303.32236	0.8
307.19159	13.4
308.19391	0.9
325.11035	1.3
325.14532	1.3
325.20117	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03329	0.7
58.00464	0.7
59.01246	1.3
60.31013	0.4
69.03320	0.7
70.75584	0.3
71.01251	4.7
71.04885	1.0
72.02028	0.7
73.02814	0.7
76.47404	0.4
80.02555	2.0
81.03333	2.4
83.04900	7.9
84.02038	3.7
84.05188	0.5
85.02825	0.9
93.03403	0.4
95.04907	1.1
97.02846	0.5
97.06489	1.9
98.03613	0.6
99.08041	2.7
101.02327	0.4
109.06467	1.0
111.08054	1.1
113.00279	0.4
113.05946	0.4
113.34005	0.4
115.07516	2.2
125.05961	1.3
125.09615	2.7
125.18883	0.4
127.07541	13.0
127.11183	0.5
128.07913	0.4
135.08075	0.8
136.70697	0.4
137.09607	0.9
139.07568	2.5
141.12701	0.6
145.10243	0.4
149.09590	0.5
155.10675	3.4
163.11186	5.8
165.12793	2.8
178.09882	3.1
181.12283	1.2
184.12209	0.4
185.11748	14.3
186.12186	0.6
191.10719	2.3
191.14487	0.4
193.07129	0.4
197.11784	15.4
198.12178	1.0
207.10306	0.9
209.11768	100.0
210.12122	6.2
220.24867	0.3
227.12762	3.6
236.10596	0.9
237.11374	0.6
238.12047	7.6
239.16502	0.7
245.19058	1.6
251.16402	0.5
253.18105	1.0
255.12361	0.8
256.13104	2.8
265.18103	1.0
279.19620	0.7
281.17575	0.4
281.21207	1.0
289.18063	5.3
307.19141	76.1
308.19495	6.5
325.20184	24.4
326.20471	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69345	1.0
57.03315	2.1
58.00468	5.8
59.01259	2.3
70.97601	3.6
71.01254	1.4
73.02821	1.4
78.25575	1.1
88.84549	1.1
90.96438	1.1
97.06473	3.0
99.07986	1.4
113.05959	5.6
115.07532	7.6
119.33999	1.1
125.09639	1.3
127.07549	9.9
128.25092	1.5
129.09085	1.0
139.08435	1.0
151.11191	14.4
153.12749	14.2
154.31433	1.1
155.14343	1.8
163.11095	1.4
165.12706	2.9
169.12254	2.2
169.29422	1.2
181.12248	4.2
183.13841	4.0
183.29001	1.1
191.10719	1.5
191.14310	1.6
193.07082	1.2
193.27858	1.3
197.11769	23.2
198.12155	2.1
199.13336	29.9
209.11813	6.9
211.13344	2.1
215.12825	22.1
220.73746	1.1
227.12830	100.0
228.13136	6.9
229.14400	50.6
230.14690	2.8
245.19173	2.5
251.97035	1.1
263.20074	3.4
269.21188	2.1
275.00000	1.2
279.19498	1.5
281.21317	2.5
289.18030	2.7
297.20804	4.0
307.19116	16.7
308.19464	1.6
325.09778	1.3
325.20337	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1863
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03316	2.8
58.64352	1.2
59.01249	20.0
69.03309	1.9
69.88201	2.6
69.88612	6.1
71.01249	8.6
73.02834	1.8
75.38379	1.1
78.41074	1.3
80.02538	5.2
81.03327	2.9
83.04887	6.4
84.02062	1.3
85.02814	3.2
87.00761	1.4
89.02286	4.0
95.04889	2.5
97.02805	3.2
97.06467	63.0
98.06770	1.3
99.00717	2.2
101.02341	2.4
106.04104	1.6
106.18140	1.3
107.04887	1.5
109.06478	38.2
110.03646	2.2
113.02303	5.9
120.05692	1.4
123.08028	6.6
125.09613	53.5
126.09959	2.1
135.08058	22.1
136.08398	1.6
137.72054	1.1
142.02563	1.6
143.03374	1.8
152.04778	1.5
153.09113	3.2
161.04591	3.4
161.05984	40.0
162.06369	2.1
163.11237	7.5
165.01866	1.2
171.10143	2.1
181.12299	4.6
185.11813	2.4
198.05756	1.3
207.10202	23.7
208.10780	1.5
209.11752	4.9
217.16049	1.7
225.09229	2.2
225.11266	22.2
243.17470	3.7
243.49686	1.3
261.14865	3.3
261.18546	4.7
269.15475	2.5
277.18066	5.2
279.16006	70.3
280.16357	5.4
287.16522	20.7
288.16891	3.4
305.17578	100.0
306.17868	11.2
323.09628	3.5
323.18732	11.3
329.53790	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
57.03141	0.3
57.03396	0.7
58.34583	0.3
59.01031	0.9
59.01352	3.8
59.57162	0.5
63.41482	0.3
69.03428	0.8
69.13467	0.4
70.12482	0.4
70.12816	1.7
71.01382	1.8
85.02499	0.4
85.02972	1.2
89.02462	1.4
93.11607	0.4
101.02409	0.7
111.34313	0.4
113.02467	1.5
123.04523	1.2
123.08189	0.5
137.06113	0.7
156.04327	0.8
157.02553	0.4
161.04616	1.2
165.09161	1.9
165.12781	2.1
167.14488	0.4
179.10805	1.4
189.12723	0.6
191.14467	0.5
197.11821	2.7
198.08911	0.4
217.15991	1.0
233.15550	0.8
235.13303	0.6
235.15353	0.6
251.16611	0.5
261.22229	4.0
287.20139	0.8
291.19644	0.6
305.21213	100.0
306.21533	7.8
323.09708	1.5
323.18842	0.7
323.22232	18.9
324.22565	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Hynapene A
Peak:m/z	Relative Intensity
55.01746	3.4
57.03330	21.9
57.45892	2.8
58.64625	2.3
59.01251	42.0
63.73632	2.5
69.03314	6.2
70.82518	5.9
71.01250	16.0
71.04898	23.2
75.36767	3.1
80.02536	3.7
81.03318	7.6
83.01265	14.3
83.04908	19.3
84.02042	5.9
85.02812	11.7
89.02319	5.0
93.03341	6.6
95.04901	45.4
97.06464	14.8
99.04390	4.7
101.02322	7.2
101.05954	8.6
106.04104	7.6
109.06472	9.1
109.67596	2.7
111.04389	4.6
111.08053	2.4
113.02306	9.5
113.05966	29.7
115.52516	2.5
119.03396	2.8
120.05670	2.6
121.02851	3.1
121.06445	3.6
123.04423	3.8
123.08043	7.3
125.05914	6.8
125.09609	21.4
127.07488	2.9
135.08049	19.4
141.12697	3.6
151.07516	3.1
153.09138	3.5
159.72580	2.3
159.91420	2.7
161.04466	5.7
161.05841	3.7
163.11197	8.9
165.12746	8.0
167.10617	5.8
177.12758	8.2
179.10619	3.9
181.12234	7.2
185.11771	18.0
189.12747	7.1
191.10696	9.4
195.13843	5.9
203.10719	7.7
203.14304	5.7
209.09917	5.7
209.11771	73.4
210.12059	6.0
211.13235	2.6
221.11743	4.5
223.13326	3.4
231.13893	4.6
232.66855	3.2
233.11847	3.4
237.14932	100.0
238.15181	5.7
243.17509	9.0
247.13280	6.4
249.14940	5.2
265.14438	19.2
277.18048	2.8
287.16534	40.9
288.16736	5.4
305.17554	56.7
306.17905	4.5
318.54489	3.0
323.09723	6.5
323.18613	38.9
324.09991	2.4
324.18759	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.1
55.95136	0.7
57.03317	1.3
58.00460	3.3
59.01248	100.0
60.01579	1.0
70.53505	2.7
71.01252	43.9
72.01570	1.1
72.99174	4.3
73.58463	0.9
74.73134	0.8
83.01247	2.7
85.02818	11.2
88.31112	0.8
89.02312	24.2
95.01252	3.7
101.02319	13.4
113.02330	8.0
119.03381	7.9
143.03391	1.6
179.05502	1.6
194.00009	1.0
316.26212	1.0
323.13458	31.1
324.13852	1.6
349.72696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69152	2.9
55.01752	6.1
57.03325	10.8
59.01253	32.9
68.99686	3.3
69.03323	4.9
70.82560	8.0
71.01252	14.9
71.04897	16.0
75.00739	3.7
81.03343	9.2
83.01247	17.8
83.04900	12.3
84.02059	4.8
85.02821	9.5
87.00803	3.6
89.02320	9.4
93.03327	4.2
95.01260	3.9
95.04898	45.1
96.05233	3.4
97.02838	9.1
97.06479	23.4
99.04401	6.5
101.02342	8.6
106.04135	3.7
109.06452	6.5
113.02322	11.6
113.05988	9.9
121.02801	5.7
123.04399	9.1
123.08047	10.0
125.02325	3.1
125.05989	3.8
125.09616	36.8
130.08629	10.1
131.08946	5.1
135.08063	24.5
137.09584	3.1
139.22206	4.0
141.09190	2.7
141.12686	3.8
143.16606	2.9
149.09634	5.2
153.09132	6.7
161.04459	8.5
161.05812	3.4
163.11206	10.0
165.12715	5.1
171.10114	5.6
175.11240	3.6
181.12222	4.8
185.11763	30.3
189.12784	3.7
191.10686	8.6
191.14488	3.3
197.11740	3.6
203.14346	10.7
207.10104	5.1
209.11777	100.0
211.13315	6.2
221.11888	4.6
223.13364	3.9
235.13339	3.5
237.15094	5.4
238.56726	2.9
243.17583	8.5
247.13370	6.5
249.14915	4.0
265.14438	35.1
266.04187	3.2
281.11581	3.0
287.16531	9.5
305.17538	27.4
323.09949	5.0
323.18594	84.0
324.18918	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2024
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
50.78873	0.2
58.02848	2.0
59.01244	1.1
67.92389	0.2
71.01246	0.5
81.03342	0.5
85.02835	0.2
95.01328	0.2
95.04914	0.7
97.06470	0.6
98.20574	0.6
101.02316	0.4
109.06473	0.5
113.02352	0.4
128.10706	7.8
130.08633	100.0
131.08989	2.8
161.04539	0.3
165.12778	0.6
172.09775	0.4
179.00906	0.3
226.06857	0.2
235.15150	0.4
322.20227	28.5
323.20593	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.5
57.75714	1.3
58.00463	2.7
58.54646	1.2
59.01250	100.0
60.01575	1.5
60.34440	1.1
61.52018	1.1
70.53255	2.6
70.53600	2.3
71.01251	54.4
72.99184	4.7
73.02816	1.7
83.01266	1.8
85.02818	10.7
87.00745	2.6
89.02314	58.9
95.01241	2.8
99.00776	1.3
101.02320	37.7
113.02326	24.9
119.02571	2.3
119.03388	29.9
131.03363	2.5
161.04433	2.2
161.08128	2.8
175.59697	1.3
179.05533	3.9
219.01700	1.2
227.10324	1.2
323.13467	96.7
324.13892	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1397
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01754	5.5
57.03310	4.5
59.01249	33.9
65.51232	1.5
69.03315	3.4
71.01254	63.5
71.52931	2.5
72.99182	4.8
73.02825	16.5
83.01272	8.6
85.02821	29.2
87.00729	3.6
89.02316	17.8
95.01250	5.3
96.95880	6.2
99.00754	7.7
101.02319	44.5
109.54767	1.6
111.08044	14.0
113.02328	26.8
113.09594	7.9
119.03355	7.9
119.39201	1.7
125.02318	2.1
135.04469	2.4
138.05461	2.5
139.07532	4.5
141.09006	2.0
143.03497	2.0
157.08607	77.2
158.08859	2.9
159.02971	3.8
161.02348	3.2
161.04486	8.9
167.21286	1.9
199.09595	2.4
205.39821	1.7
286.06985	1.7
319.13953	100.0
320.14285	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1398
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01760	7.4
57.03312	4.6
58.00449	4.1
59.01252	87.7
67.05128	2.1
68.01247	2.2
69.03355	3.2
70.71815	3.8
70.72163	4.7
71.01256	100.0
71.04908	4.0
72.99194	7.0
73.02825	18.7
77.05852	2.2
83.01262	12.9
85.02821	38.6
87.00770	6.5
89.02319	58.7
95.01266	7.0
96.95888	7.1
99.00761	9.5
100.24719	2.2
101.02322	72.4
113.02326	38.3
119.03404	23.3
139.07565	3.5
143.03389	5.7
159.02872	4.9
161.04489	21.3
179.05550	3.5
249.34352	2.3
275.15027	11.8
319.13971	71.1
320.14301	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.0
58.00459	2.5
59.01250	43.1
60.53609	0.6
70.55536	2.0
71.01252	23.2
72.01573	0.8
72.77000	0.6
72.99179	2.3
73.02818	1.7
83.01258	1.4
83.66582	0.6
85.02822	5.6
87.00747	1.5
89.02322	16.6
91.23142	0.6
95.01234	1.2
96.95861	1.5
99.00706	0.6
101.02321	12.7
104.67465	0.6
113.02334	6.9
113.09608	28.8
114.09967	0.9
119.03376	7.2
131.03409	0.7
135.04376	0.8
141.09132	5.5
143.03354	0.7
143.10620	1.6
155.10651	2.3
157.08560	0.7
159.10175	63.1
160.10512	2.6
161.04585	0.6
162.86650	0.6
177.25082	0.6
190.02148	0.6
201.11295	1.9
321.15527	100.0
322.15967	6.5
331.46313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92035	0.9
52.72704	0.8
57.03307	1.8
58.00470	4.2
59.01247	74.0
60.01582	1.1
71.01250	48.4
71.15337	1.9
71.15661	1.0
72.99191	4.6
73.02823	2.0
76.09490	0.9
79.95625	0.9
83.01274	1.8
85.02814	10.3
87.00722	1.3
89.02316	43.9
95.01270	4.9
96.95884	19.8
101.02323	33.2
113.02330	17.1
113.09560	1.0
119.02573	1.9
119.03383	24.1
120.69254	1.0
131.03406	1.6
134.03621	3.9
135.04390	1.1
141.09097	14.4
141.83046	0.8
143.03394	2.0
159.10176	4.6
161.04437	1.3
178.02647	2.9
179.03423	0.9
179.05617	1.7
193.04965	9.6
250.17398	0.9
259.22299	0.9
303.09045	1.2
321.10260	4.7
321.15524	100.0
322.15948	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86779	0.6
59.01251	100.0
59.42471	0.5
71.01268	3.0
71.10401	1.1
89.02324	3.8
96.95892	1.2
101.02325	1.1
103.02804	0.5
103.23211	0.6
111.87667	0.6
112.67917	0.6
113.02332	0.6
119.03387	1.4
169.01360	0.6
185.44437	0.7
201.39719	0.7
212.32944	0.6
249.19580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.051
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
54.32071	0.4
55.01719	0.8
57.96759	0.4
59.01244	2.9
60.74260	0.4
61.40020	0.4
63.02267	7.7
65.00188	4.0
69.49923	3.6
71.00915	0.5
71.01248	5.9
72.99156	0.5
73.02783	1.7
81.39244	0.4
83.00817	0.6
83.01255	7.8
85.02811	2.5
89.02285	0.5
94.86234	0.4
95.01196	0.9
96.95863	0.4
98.19784	0.8
99.00735	0.6
101.02324	4.3
101.48752	0.5
107.01279	11.5
108.02077	2.3
109.02798	0.7
113.02296	1.8
115.10143	0.4
120.02013	0.9
120.37342	0.5
123.00763	0.8
124.01553	3.1
125.02306	0.5
128.87242	0.4
129.18137	0.4
135.00720	1.2
136.01547	1.1
148.01566	5.3
149.99443	1.3
151.00272	18.8
151.05846	0.4
152.00880	0.7
153.05466	0.5
161.04385	1.6
163.00278	3.8
164.01057	6.0
169.01350	2.0
172.05167	0.9
183.04361	0.6
189.01884	0.6
200.04744	0.6
202.02559	0.5
203.03331	0.5
211.03947	0.5
215.03452	1.0
216.04153	1.4
227.03444	3.6
228.03944	0.6
243.02914	3.6
244.03610	1.3
255.02937	4.9
256.03601	0.6
271.02509	8.0
272.03217	2.1
283.02420	3.9
299.01880	1.1
300.02737	79.9
301.03046	6.2
315.05096	100.0
316.05414	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.0
62.03528	1.0
70.71983	2.0
71.01236	1.9
74.17310	1.0
79.95599	2.0
80.96378	1.0
81.15897	1.0
85.02805	1.0
86.88422	1.1
96.95886	93.0
101.02330	1.9
109.02836	1.5
111.14137	0.9
114.53612	0.9
117.79713	1.0
127.81751	0.9
150.97017	1.9
151.05447	0.8
153.01855	2.2
180.98018	2.1
203.02942	0.9
241.00238	2.2
247.18465	0.9
315.07553	100.0
316.07864	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	7.3
57.03328	5.0
58.00464	3.0
59.01253	53.4
61.05793	0.9
69.51936	6.5
71.01254	100.0
72.01590	1.5
72.99178	3.1
73.02821	25.8
75.00748	2.3
81.03362	0.9
82.02407	0.9
83.01263	10.3
85.02824	40.3
87.00750	3.5
89.02317	22.4
95.01273	6.6
97.02816	2.6
98.20535	1.2
99.00757	14.4
101.02322	50.3
103.69178	1.1
113.02331	38.5
119.03406	8.1
119.14017	0.9
119.35863	0.8
125.02357	2.3
129.01828	2.0
129.35222	0.9
143.03395	1.9
159.02875	6.1
161.04471	19.2
169.01222	0.9
205.03374	1.3
232.97014	1.0
255.02960	2.2
271.02567	2.8
300.02728	6.5
315.05060	7.6
316.05276	1.4
320.83450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71939	1.2
59.01248	3.2
63.85870	1.2
65.12790	1.3
67.01749	1.1
71.53532	1.5
71.53902	1.7
79.05403	5.1
80.75616	1.2
83.04898	2.9
107.01281	1.6
113.93426	1.2
119.08551	11.3
121.06469	2.5
123.04384	3.2
131.08560	5.7
137.09621	3.9
145.02829	2.6
153.05432	3.3
162.35800	1.3
187.14899	2.3
237.16484	3.0
243.02893	1.5
250.04947	1.4
253.19579	5.3
255.02971	3.2
271.02396	3.8
271.20724	15.1
272.21048	1.9
300.02863	7.8
315.05182	14.6
315.08502	1.9
315.16223	4.3
315.19617	100.0
316.16534	1.5
316.19913	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53984	0.5
59.01257	1.5
61.98677	0.5
71.01269	1.0
73.02839	2.5
76.92610	0.5
88.84248	0.4
93.05763	0.5
98.19769	1.0
99.00760	0.8
101.97688	0.4
113.02708	0.5
117.01819	0.5
137.09619	7.7
155.10684	100.0
156.11014	3.5
199.09692	64.0
199.13423	1.7
200.10060	2.3
204.07010	0.4
225.11267	1.4
243.12357	0.7
268.84814	0.5
273.03278	0.9
317.05945	1.0
317.12460	11.6
317.16086	1.5
318.12775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51791	0.2
58.22049	0.2
63.01196	0.2
63.02271	0.5
65.00190	0.5
69.67165	1.2
83.01263	0.5
107.01243	1.6
108.02049	1.9
120.02031	0.3
123.00773	0.4
124.01567	0.4
135.00783	1.5
137.30147	0.3
147.00816	0.3
148.01546	2.3
151.00284	2.8
153.01880	0.3
159.04413	0.4
163.00267	3.4
164.01038	2.0
171.04451	0.4
174.03157	0.4
183.04436	0.7
184.05177	0.6
187.03929	0.5
192.00531	0.7
196.35321	0.2
199.03929	1.8
200.04655	1.0
201.01918	0.6
202.02661	0.5
203.03436	0.6
209.00876	0.4
211.03992	1.0
212.04713	0.5
214.02409	0.3
215.03481	1.0
216.04213	1.6
219.06549	0.3
222.36006	0.2
226.02664	1.6
227.03406	4.8
228.04173	1.2
229.01443	0.4
239.03477	0.3
242.02197	0.3
243.02959	23.6
244.03693	6.0
245.04027	0.4
254.02145	3.5
255.02965	37.7
256.03400	3.4
256.87674	0.3
259.06067	1.5
271.02469	79.1
272.03076	12.1
272.06125	0.5
273.03525	0.3
283.02432	0.4
287.05585	2.5
288.05988	0.3
299.02121	1.5
300.02734	86.1
301.03098	4.8
315.05096	100.0
316.01703	0.5
316.05420	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1079
Annotation	p-Hydroxyphenethyl trans-ferulate
Peak:m/z	Relative Intensity
59.01251	2.1
71.01262	0.6
71.54594	0.8
89.02341	0.7
89.03850	1.8
95.04902	0.7
101.02357	0.5
105.03356	1.3
107.04929	0.6
109.02811	0.6
117.03341	8.2
119.04861	0.7
121.02847	2.1
133.02853	10.3
134.03633	91.6
135.04488	7.4
137.02325	4.5
139.03918	2.4
147.04440	0.6
148.05139	0.7
149.05981	5.5
160.01477	0.7
178.02632	2.8
179.03438	8.1
193.04999	100.0
194.05321	5.6
196.39456	0.5
222.16185	0.5
253.09329	1.1
267.52325	0.6
298.08502	1.6
304.71814	0.6
313.03439	0.7
313.07178	0.8
313.10852	12.7
313.14349	0.4
313.23718	1.0
314.11047	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.03306	0.3
59.01239	0.4
61.08519	0.2
69.27367	2.3
71.01269	0.3
78.17576	0.2
83.57034	0.2
108.67439	0.2
123.77087	0.2
125.09615	0.9
127.11189	1.4
139.11169	0.5
141.12737	0.4
145.78447	0.2
155.10677	3.4
157.12265	0.5
164.96825	0.3
171.10194	5.2
172.10593	0.2
249.22197	0.3
267.23401	0.5
277.21741	0.9
295.19464	0.5
295.22775	8.5
296.23175	0.7
311.22293	1.2
313.23840	100.0
314.24182	10.3
323.96313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
58.00468	3.3
59.01260	0.9
62.93159	0.5
69.28374	0.5
69.28717	4.9
97.06470	0.7
99.08032	17.1
100.08385	0.5
101.09633	0.8
127.07524	2.8
129.09105	20.6
140.27036	0.5
173.75543	0.5
183.13823	41.3
184.14108	2.3
189.42180	0.5
195.13858	3.0
277.21738	3.7
278.22220	0.6
295.22754	7.0
296.23218	0.6
311.22180	0.8
313.23840	100.0
314.24225	8.6
329.09210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
55.45268	0.3
59.01251	1.5
60.23605	0.3
70.11275	1.0
71.01249	0.8
72.70485	0.3
74.97826	0.3
76.97778	0.3
85.06400	0.4
89.02333	0.5
96.95972	0.3
101.02352	0.3
110.43430	0.3
111.08038	0.5
112.03682	0.3
112.04712	0.3
113.02335	0.4
113.09613	1.2
143.10677	1.3
151.11188	0.5
152.30849	0.3
169.12263	8.4
242.02217	0.3
246.84192	0.3
253.09157	0.6
277.21625	1.6
295.22803	14.3
296.23096	1.1
311.22284	1.4
313.03436	0.9
313.23846	100.0
314.24194	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84375	0.1
51.77542	0.1
63.02269	0.5
65.00198	0.5
68.91534	0.1
69.41982	0.6
69.42387	0.2
83.01239	0.5
91.01795	0.3
95.01254	0.2
98.20517	0.2
107.01271	1.8
108.02047	2.5
108.02715	0.2
109.02885	0.2
111.00739	0.1
118.95140	0.1
119.01268	0.2
120.02049	0.3
123.00777	0.3
124.01582	0.6
135.00778	1.7
136.01634	0.2
138.79353	0.1
143.04924	0.1
147.00795	0.3
148.01572	2.9
149.99522	0.1
151.00270	2.6
152.01027	0.2
153.01796	0.2
159.04445	0.3
160.05063	0.2
161.02409	0.2
163.00269	2.4
164.01056	1.7
165.01845	0.2
169.01376	0.2
171.04440	0.5
172.05157	0.3
173.02435	0.2
174.03128	0.4
175.03926	0.2
182.03676	0.2
183.04408	0.6
184.05263	0.5
185.02350	0.2
186.03044	0.1
187.03903	0.6
188.04678	0.3
189.01872	0.1
190.99765	0.4
192.00526	0.6
198.03127	0.4
199.03934	2.2
200.04643	0.7
201.01886	0.7
202.02640	0.5
203.03406	0.5
204.04189	0.2
209.00739	0.1
211.03920	1.1
212.04695	0.1
213.01863	0.3
214.02518	0.2
215.03438	1.4
216.04175	1.1
217.04831	0.1
219.06595	0.2
226.02655	1.8
227.03450	4.6
228.04138	1.1
228.36507	0.1
229.01389	0.7
230.02231	0.2
239.03319	0.3
242.02153	0.4
243.02953	20.9
244.03622	4.3
245.04124	0.2
254.02208	2.1
255.02957	30.1
256.03387	2.7
259.06116	1.0
271.02463	62.9
272.03033	8.6
273.03546	0.3
283.02463	0.4
287.02011	0.4
287.05600	2.0
288.05695	0.2
299.01913	1.7
300.02722	58.6
301.03076	4.4
315.05081	100.0
316.05417	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
50.82166	0.9
53.28761	0.8
56.39274	0.9
57.03309	2.5
58.00440	1.2
59.01236	2.2
61.82954	0.8
62.49086	0.9
70.38552	0.8
83.04877	1.3
92.84809	0.8
99.08029	2.3
113.09590	3.5
117.53387	0.9
125.09589	1.5
127.07507	1.2
127.11178	2.7
127.13509	0.7
129.09138	7.3
133.19443	0.8
139.11179	4.7
151.11139	1.4
155.10715	0.9
169.12257	2.9
169.33269	0.9
171.10178	24.6
171.52515	0.7
172.10468	1.4
177.12778	0.8
181.12259	6.7
183.10214	0.8
183.13812	3.2
185.11711	3.3
193.12251	2.1
197.11734	10.6
199.13326	5.2
201.11253	3.4
211.13356	19.0
249.22177	1.0
265.21567	1.1
275.20050	3.3
293.21268	21.6
294.21481	1.4
311.22269	100.0
312.22629	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0356
Annotation	Fasciculiferin
Peak:m/z	Relative Intensity
59.01156	2.8
65.00124	0.7
71.01165	1.6
71.53378	1.0
71.96560	0.6
72.74766	0.8
72.99105	0.7
80.32990	0.6
89.02214	1.7
120.62345	0.7
121.02695	2.5
139.11134	0.8
151.05899	0.8
167.04810	2.1
171.04425	0.8
183.04410	1.1
195.04420	4.3
197.02338	0.7
203.18199	0.7
207.43942	0.7
211.03960	4.8
212.04195	0.7
223.01953	0.8
223.03954	13.9
224.04312	0.8
239.03450	23.3
240.03751	1.7
245.19075	1.0
250.02576	2.0
251.03450	12.5
252.03664	1.1
253.09155	1.4
267.02963	35.3
268.03271	2.9
283.02393	1.9
295.02454	100.0
296.02820	8.2
298.04825	2.3
312.22760	1.0
313.03546	55.6
313.06833	2.5
313.17841	2.8
313.23422	2.6
314.03857	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0717
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01245	1.1
60.48196	0.2
61.44888	0.2
71.01249	0.3
74.72408	0.2
84.97079	0.2
89.02328	0.5
93.03373	0.3
103.70670	0.2
121.02843	100.0
122.03195	3.8
139.11221	0.3
180.05719	0.8
181.06522	4.1
203.98375	0.2
225.05528	7.5
226.05933	0.3
253.09262	0.4
269.08188	0.3
313.03955	0.5
313.07184	13.7
313.10699	0.4
313.23700	0.5
314.07471	1.3
316.12717	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03316	2.3
60.64153	0.7
63.66948	0.6
71.01720	1.8
80.02545	0.8
97.06477	0.9
103.33195	0.8
120.53361	0.8
121.10133	1.9
123.08047	1.4
125.09625	4.1
127.11192	7.2
128.54297	0.8
136.45090	0.7
139.11197	16.7
145.97624	0.7
151.11137	1.1
155.10646	4.4
165.09071	1.3
167.10625	1.9
171.10176	94.7
172.10539	2.7
183.10161	7.7
185.11763	21.6
185.13422	1.0
186.12175	1.1
201.11258	13.7
217.28491	0.8
250.05861	0.7
269.19101	0.6
275.20096	7.6
293.21228	30.0
294.21420	2.0
311.22275	100.0
312.22668	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03334	1.5
59.01251	6.5
69.03326	2.2
69.82735	2.3
71.01244	1.3
71.04905	0.6
83.04879	1.2
83.63455	0.6
97.02851	0.6
101.02353	0.7
123.08044	0.5
133.02837	1.6
134.03624	0.8
135.04387	2.0
137.02367	0.8
151.11169	1.5
155.10739	0.6
157.12225	1.3
161.02371	2.4
169.12190	2.0
169.15900	1.1
178.02629	1.3
179.03383	1.0
186.06789	2.6
187.07521	1.1
197.11798	2.3
198.12071	0.6
200.06615	0.5
214.06322	3.1
215.06941	1.2
251.11185	0.6
263.20163	1.7
275.20129	2.2
293.21231	6.5
294.21658	0.8
311.22269	100.0
312.22601	10.5
320.80670	0.6
333.65158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.76333	3.3
57.03327	27.1
58.36786	3.4
59.01251	23.3
60.07598	3.1
69.03310	6.0
70.73617	7.9
71.01250	18.3
80.02525	5.1
81.03345	3.6
83.04913	8.5
89.02306	4.1
95.04904	5.9
97.06481	4.9
99.00742	5.4
101.02313	4.7
109.06450	4.5
111.08039	11.3
113.09623	18.9
115.72423	3.3
125.02355	3.3
125.09560	6.8
127.11186	4.3
137.09625	4.2
139.11189	3.7
147.06566	4.7
151.03882	13.3
151.07571	17.8
151.11179	44.7
152.08337	10.2
153.12677	6.1
155.10745	10.1
161.04501	3.9
163.11198	7.1
165.12793	39.4
167.10675	5.7
171.10162	16.6
179.10651	13.1
181.12262	48.8
185.11696	11.8
191.10689	23.0
194.19630	4.0
195.10219	4.0
197.11732	12.2
209.11772	100.0
209.15289	21.3
211.13260	6.9
216.54198	3.7
247.17055	4.5
247.20628	16.8
265.18152	5.6
265.21640	12.8
281.21237	5.8
291.16507	6.7
291.19656	34.0
309.17062	41.3
309.20731	49.1
310.20996	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.95512	0.5
57.03314	2.0
59.01253	3.2
63.94826	0.5
69.03319	0.7
69.43150	0.5
71.33102	0.9
73.27941	0.6
83.04910	0.9
85.06452	0.6
92.85652	0.5
94.53019	0.5
96.07438	0.6
107.08511	0.9
121.10089	0.8
125.09616	1.9
139.11156	1.4
141.12727	1.6
169.12274	1.7
171.10173	30.4
172.10506	1.2
183.10223	1.3
186.06779	1.0
193.89069	0.5
214.06326	2.3
231.39622	0.6
249.22289	0.7
263.20114	4.5
265.08313	0.6
275.20096	7.2
276.20316	0.9
277.90247	0.6
293.21207	27.9
294.21527	2.1
311.22253	100.0
312.22525	7.3
326.64316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
57.03316	2.2
58.39869	0.7
59.01246	8.2
69.03316	1.0
71.01247	1.6
74.34039	0.8
85.74842	0.7
97.06496	0.9
98.20547	2.3
99.08052	6.2
101.02339	0.8
111.08015	1.2
113.09605	6.1
127.07534	2.6
129.09100	14.1
133.02838	0.7
139.11143	1.4
142.04576	0.8
153.09140	0.8
153.12791	1.8
157.08632	1.3
163.11134	1.1
167.10641	0.8
167.14281	1.2
169.12212	4.5
171.10201	2.1
181.12286	10.1
183.13843	3.4
186.06749	1.7
193.12279	3.9
197.11781	15.0
199.13344	6.0
211.13342	33.2
212.13695	1.5
213.14908	7.0
214.06398	2.2
249.22154	1.0
265.21768	0.9
275.20172	1.9
279.02902	4.7
280.03305	0.8
293.21237	26.9
294.21436	3.0
311.01514	0.9
311.22281	100.0
312.22592	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	2.0
59.01249	2.2
66.41232	1.3
69.26451	1.3
71.01694	1.4
71.02017	2.3
71.04890	2.7
97.06482	1.6
105.36041	1.2
109.06456	2.2
111.08036	34.0
127.07456	1.4
130.57370	1.3
153.12784	2.0
169.10953	1.3
169.12233	8.1
171.10178	3.7
181.12250	1.8
193.12108	1.6
197.11765	100.0
198.12134	6.2
199.13345	4.4
209.15427	12.0
211.13359	10.1
223.17084	2.8
225.14919	1.5
227.12791	2.8
233.15425	3.4
251.16583	6.2
263.20212	4.5
273.18674	1.7
291.19626	20.1
292.19904	2.9
309.17355	1.6
309.20697	37.3
310.20987	4.4
331.94571	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09369	1.3
58.00459	2.5
59.01241	2.3
64.15334	1.3
71.01862	2.6
86.31933	1.4
108.38681	1.2
109.06471	1.5
111.08047	32.9
127.07543	1.9
135.00410	1.2
151.11215	1.8
153.12685	1.7
169.12282	7.9
181.12263	2.7
197.11763	100.0
198.12125	5.7
199.13319	4.1
211.13367	13.2
227.12836	3.6
248.52695	1.4
263.20148	6.1
265.18149	2.1
273.18744	1.7
291.19681	17.0
292.20148	1.9
309.20670	30.1
310.21039	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89040	2.1
56.28191	2.2
59.01243	17.5
70.09798	10.7
71.01238	3.8
73.14577	2.2
73.78896	2.4
78.60212	2.1
81.03301	3.2
83.01270	5.3
83.04876	2.6
85.02797	2.5
95.04902	3.0
97.06470	4.7
99.00770	3.7
101.02318	4.3
106.08047	2.6
111.07998	6.3
123.04399	3.9
123.08025	3.9
125.09565	6.9
139.11162	10.8
141.09142	2.6
151.03874	7.1
151.07555	17.7
152.08296	10.7
162.10452	2.5
163.11139	6.1
165.12749	15.5
167.10617	5.2
169.98662	2.4
171.10237	5.6
179.10652	2.7
181.12318	3.7
183.13826	5.6
184.08846	2.2
193.15958	5.3
196.90021	2.3
197.11702	12.8
209.11798	27.3
209.15414	23.8
247.20634	12.8
249.04729	2.6
252.09877	3.4
265.17905	3.5
265.21646	3.2
273.18491	5.0
291.19666	100.0
292.19940	6.4
309.17050	29.9
309.20694	47.0
310.17194	3.9
310.20947	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
57.03320	2.8
59.01251	5.5
69.03345	1.4
70.40157	3.5
71.01246	2.0
71.04903	1.2
80.02538	1.9
81.03349	2.7
83.01261	9.1
83.04877	6.2
95.01243	1.1
95.04893	2.1
97.06464	4.1
113.04234	1.1
123.04414	3.3
123.08047	3.4
125.05969	3.3
125.09608	10.0
127.11185	1.5
129.09082	1.3
137.09677	2.2
139.11182	13.1
151.03911	1.7
151.11198	1.4
152.08310	1.9
153.12762	1.6
161.09715	1.4
162.10394	1.4
163.11186	8.0
165.12762	17.0
167.10664	6.5
167.14314	1.4
168.11441	2.3
171.10176	4.4
179.14305	1.6
181.12257	5.2
183.13860	2.5
185.11786	3.6
191.10706	2.4
193.15849	5.9
197.11754	3.8
207.00157	1.1
207.10252	1.2
209.11781	60.0
209.15387	4.5
210.12106	3.5
214.09613	1.2
219.17476	1.1
225.11176	1.2
229.19591	1.2
231.17957	1.2
247.20651	16.3
260.14191	1.3
263.19879	1.3
265.21707	4.5
273.18604	4.6
281.21124	2.9
291.19662	100.0
292.19995	7.3
292.46561	1.2
309.17020	4.7
309.20636	34.9
310.21121	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	3.2
59.01249	6.6
60.56036	1.1
66.09735	1.0
66.62701	1.1
67.01718	1.8
68.38565	1.1
69.03296	1.9
71.01239	2.4
71.04875	1.5
71.45293	1.2
73.02818	1.5
78.29308	1.1
80.02546	8.2
81.03307	4.9
81.06931	1.4
83.04895	28.3
84.02037	11.1
95.04862	1.4
97.02795	2.0
97.06445	5.1
99.00713	1.6
99.08027	7.6
100.66844	1.1
109.06437	3.2
111.08012	3.7
113.09585	3.1
115.07559	6.0
123.04348	4.1
123.08006	2.4
125.09567	5.0
127.11169	5.7
134.25049	1.1
135.08028	1.4
137.09615	50.5
138.09926	2.4
139.10226	1.5
139.11188	10.5
147.06473	1.3
151.03873	2.8
151.07523	7.0
151.11096	5.1
152.08305	4.2
153.09143	8.2
153.12746	1.9
155.10677	55.3
156.10976	3.1
165.12645	1.8
167.10635	3.9
171.10182	57.6
172.10461	1.8
177.12787	1.3
185.11652	1.7
193.12263	30.7
194.12614	1.9
197.11655	3.6
209.11690	5.2
209.15401	6.3
211.13297	5.6
221.11755	1.8
223.04030	1.1
247.16885	1.2
247.20609	8.4
248.20926	1.2
252.10097	1.7
263.20096	6.4
265.21732	5.8
273.18619	1.8
281.21191	2.4
291.19641	100.0
292.19919	10.6
309.16943	15.6
309.20587	76.4
309.24109	1.0
310.20956	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
57.03313	4.1
59.01246	14.6
61.98699	2.5
69.03332	3.8
71.01254	4.7
71.53782	2.2
85.02807	2.4
92.28413	1.6
98.51194	1.6
101.02309	3.7
111.08046	1.9
113.02309	2.5
130.52229	1.6
151.11206	2.5
152.69817	1.7
161.04407	3.4
167.14458	1.8
169.12251	3.6
197.11761	39.9
198.12122	2.2
209.15355	3.5
211.13281	2.6
229.19485	4.5
261.18582	6.4
273.18625	15.1
279.19769	2.1
291.19617	15.2
292.20227	2.0
309.11685	3.3
309.17505	4.3
309.20694	100.0
310.21100	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.22170	0.9
52.70987	1.0
55.11628	0.9
57.03334	2.3
59.01251	5.6
64.53635	1.1
67.01756	0.9
69.03338	1.4
71.53109	1.5
79.72044	1.1
83.04863	1.0
85.02842	1.3
95.04884	1.4
97.02850	2.9
97.06470	2.1
100.32359	1.0
109.06509	1.2
111.08041	2.2
121.10125	9.3
123.08046	1.2
125.09642	7.9
130.53905	1.1
137.09633	5.5
151.07574	1.4
160.66484	1.2
161.42847	1.0
167.14304	1.9
171.10179	8.7
181.12331	1.6
183.13875	1.9
185.11772	10.7
195.13817	1.4
197.11768	3.9
209.11766	2.3
211.13338	63.0
212.13684	3.4
215.20204	1.0
223.13399	1.4
225.14865	2.8
233.15529	2.5
247.20670	1.6
251.16544	3.0
273.18469	1.3
291.19659	100.0
292.19919	9.2
309.15009	1.6
309.17401	1.4
309.20697	21.1
310.21136	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	3.3
58.00468	2.1
59.01229	3.0
59.13894	0.8
60.91401	0.8
64.67840	0.8
69.03328	6.0
71.01932	1.9
71.04881	0.9
73.02821	1.2
83.04879	1.0
93.03297	1.1
93.06956	1.0
97.06455	1.0
98.19818	0.9
103.94289	1.0
107.08530	2.5
108.05695	1.4
109.06442	1.3
110.40527	0.8
111.08048	5.1
119.08555	15.9
120.08830	0.9
123.08078	1.0
125.09621	7.1
127.11171	3.9
128.72278	0.7
135.08018	2.8
137.09618	32.7
138.09898	1.8
139.11143	2.2
148.42868	0.8
149.09607	1.0
151.03873	1.4
151.07513	2.3
151.11131	1.5
152.08342	1.6
153.09113	1.0
154.45128	0.9
155.10684	5.0
167.10712	4.4
169.12213	0.8
171.10176	100.0
172.10500	5.6
182.42747	0.8
183.10153	4.9
185.11757	25.0
186.12071	2.1
195.10255	2.0
197.11745	11.2
201.11230	5.6
207.13745	0.9
209.15387	2.5
211.13295	3.6
213.11264	9.1
223.13240	0.8
225.14903	2.2
229.19586	2.9
247.20572	1.3
263.20001	1.5
265.18265	1.1
273.18643	8.9
274.19080	0.9
291.19635	36.2
292.20023	3.2
309.17206	3.9
309.20670	34.4
310.21069	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
55.75622	2.1
57.03309	9.9
59.01252	15.7
69.03301	3.0
70.73663	4.8
70.74001	3.3
71.01250	14.0
81.03304	3.5
82.81886	2.5
83.04890	6.0
85.02825	3.1
88.01395	2.3
95.04927	3.9
97.06450	21.4
98.46938	2.1
109.06456	7.0
111.08027	10.7
125.09634	5.7
127.11144	3.4
137.09592	4.9
139.11273	2.7
149.09633	6.3
151.11200	22.6
153.09164	3.2
153.12682	4.4
155.10675	12.1
161.04433	2.8
163.11142	6.9
165.12730	29.5
167.10646	7.2
169.12193	5.9
177.12697	4.7
179.10660	7.7
181.05040	2.3
181.12253	27.7
191.10681	10.0
191.14351	9.5
195.10266	3.0
197.11778	2.7
205.12299	3.1
209.11763	55.1
210.12115	2.4
211.13324	6.9
226.11775	2.5
235.20595	3.8
239.09285	4.5
245.19075	49.5
253.18919	2.2
263.20142	12.4
266.50607	2.6
271.17032	5.1
279.19473	4.9
289.18079	61.2
290.18317	3.1
307.10312	8.6
307.19138	100.0
308.19446	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
58.89915	0.4
59.01250	0.9
68.30848	0.3
71.00589	0.7
71.01247	0.5
78.50850	0.3
81.84278	0.3
94.24940	0.3
101.02307	0.4
133.47043	0.3
160.17216	0.4
211.66071	0.3
289.21130	0.4
298.05157	0.4
307.22784	100.0
308.19550	0.6
308.23132	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
51.60653	1.5
57.03313	4.8
59.01248	13.7
61.98682	1.8
69.01859	1.4
69.03334	4.2
70.10971	6.9
71.01237	7.1
71.04885	4.0
73.02789	2.7
77.77746	1.7
81.03355	1.9
83.01276	1.8
83.04858	2.3
85.02815	2.6
89.02306	2.0
94.89903	1.4
96.95876	3.6
97.06461	3.0
107.08562	12.9
111.08032	5.0
119.08566	20.2
121.06477	2.0
122.89531	1.7
125.09596	6.1
137.09651	3.3
147.05334	1.7
147.06487	3.0
151.03880	2.2
151.11134	2.2
168.60161	1.5
171.10176	75.0
172.10509	3.2
175.14842	3.5
183.10175	2.6
185.11850	8.3
187.12148	1.9
197.11754	13.7
209.15378	3.1
211.13382	2.2
213.54347	1.5
229.19569	15.6
230.19974	1.7
235.16861	2.4
247.16975	1.8
251.16582	3.1
261.18616	15.5
263.20120	3.1
273.18588	43.8
274.18958	3.1
276.38940	1.5
279.19656	4.9
291.19644	55.3
292.20071	4.7
309.17599	3.8
309.20688	100.0
310.20975	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74591	1.0
55.01744	1.4
57.03308	5.2
59.01249	9.1
69.03329	2.1
71.01251	3.1
71.53973	2.2
74.33788	1.1
80.02554	2.1
81.03330	6.9
83.01263	4.3
83.04924	2.5
85.02824	2.8
91.91686	1.3
95.04894	5.1
97.02821	5.8
97.06467	8.0
106.04129	1.7
107.42828	1.2
109.06398	2.8
119.08544	2.2
121.06473	4.2
123.04399	9.3
123.08041	4.1
125.02361	1.2
125.05981	2.0
125.09605	16.7
134.03648	1.1
135.04382	2.1
135.08049	3.6
137.05910	2.0
137.09621	11.2
141.12758	3.1
142.02657	1.6
149.06009	2.8
151.11201	1.9
160.08801	1.3
161.09644	1.4
163.07515	2.2
163.11192	15.9
164.08376	1.2
165.09061	2.2
165.12787	3.1
167.10667	2.3
171.10146	2.4
177.09140	1.3
177.12804	2.0
179.10623	2.4
181.12250	5.8
185.11765	21.8
185.13161	0.9
189.12747	1.4
191.10606	2.2
191.14334	20.4
197.11841	1.7
207.10185	9.1
209.11771	25.8
217.16014	2.3
225.11284	11.4
226.11905	1.6
237.11290	1.3
245.19066	43.2
246.19371	4.4
247.16795	1.4
263.20181	1.4
271.16983	5.2
279.19797	2.1
289.18097	100.0
290.18448	8.1
307.10544	1.8
307.19128	55.2
308.19449	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18525	0.9
57.03318	5.9
59.01245	6.6
69.03316	2.4
69.23389	8.4
71.01261	1.3
78.45196	1.2
80.02571	1.5
81.03323	5.0
83.01245	6.5
83.04887	4.7
93.28699	1.2
95.04906	4.2
97.02831	6.2
97.06462	11.3
99.22382	1.3
109.06483	1.8
111.08031	1.4
113.88158	1.3
119.08572	1.4
121.06462	3.8
123.04422	11.5
123.08036	4.3
125.05982	1.7
125.09621	17.7
135.08069	3.0
135.14427	1.0
137.05989	2.1
137.09604	12.6
139.11130	1.3
141.09071	1.1
141.12740	4.1
142.02585	2.8
142.13043	1.1
148.43687	1.2
149.05960	3.4
151.11205	1.7
161.09676	1.9
162.10332	1.3
163.07593	2.0
163.11206	17.6
165.09117	2.0
165.12758	4.2
167.10675	1.6
171.10239	1.8
177.12781	1.9
181.12236	3.2
185.11766	24.9
186.12094	1.3
191.10706	4.4
191.14349	20.1
207.10197	11.9
209.11766	36.5
210.12192	2.0
217.15875	3.0
225.11317	10.3
243.17387	1.2
245.19080	40.3
246.19426	4.0
247.17134	1.6
261.18436	1.4
263.20145	2.4
271.17029	5.7
289.18106	100.0
290.18433	9.2
307.10260	2.4
307.19144	50.2
308.19458	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	12.9
59.01245	16.4
59.60720	1.9
67.76226	2.2
69.03316	5.6
69.41482	13.0
71.01253	17.3
80.02544	2.8
81.03352	3.5
83.04903	6.6
85.02810	2.7
89.02273	2.0
95.04897	7.5
97.02832	3.6
97.06467	18.8
98.19807	2.5
101.02367	2.4
103.03936	3.3
105.44967	1.7
107.04901	3.1
107.08578	2.3
109.02840	1.9
109.06470	4.0
109.68559	2.1
111.08025	16.8
120.05809	1.6
121.06506	4.5
123.04375	2.8
123.08072	3.3
125.09595	7.2
127.11208	2.9
135.08046	2.3
137.06000	2.6
137.09612	4.2
149.09616	5.8
151.11197	26.2
153.09120	4.3
153.12744	4.9
155.10698	13.5
161.04440	4.2
163.11154	6.9
165.09070	2.7
165.12769	34.7
167.10748	8.5
168.11540	1.8
169.12276	3.7
171.10223	3.9
173.97246	1.8
176.87363	1.9
177.12706	3.6
179.10634	9.6
181.12259	33.1
185.11700	5.5
191.10709	15.1
191.14375	10.0
195.10101	2.4
197.11742	4.4
205.12230	4.8
209.11777	66.8
210.12152	2.6
211.13344	9.7
217.15857	3.1
224.10529	2.4
225.11382	1.9
235.20779	1.8
239.09225	3.9
245.19093	38.5
246.19414	4.4
261.18509	2.3
263.20209	10.7
271.17029	3.9
279.19647	5.1
289.18118	48.4
290.18408	4.0
307.10413	5.6
307.19141	100.0
308.19452	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03330	5.6
58.76905	2.2
59.01248	11.3
63.11576	1.9
65.03836	58.6
65.09943	1.9
69.03315	3.0
71.01250	4.7
71.04897	40.5
71.52876	2.5
72.00533	2.2
73.02836	2.0
73.99662	2.0
80.02567	4.4
81.85126	2.3
83.04901	7.0
93.03331	25.8
96.95908	2.9
97.06474	70.0
106.04152	3.1
109.06469	3.9
111.04420	3.2
117.06984	16.6
119.04926	4.4
119.08550	40.5
120.05699	3.5
121.06479	100.0
122.06817	2.8
123.08069	6.7
125.09620	55.0
133.06491	7.1
135.08055	94.7
137.09622	8.5
163.11198	2.8
171.10173	66.5
172.10512	2.7
185.11765	70.6
186.12143	3.0
191.14276	4.4
209.11783	36.7
211.13370	38.2
212.13615	2.6
213.11127	2.2
214.97066	2.2
230.32593	2.4
233.15251	2.7
235.13364	85.3
236.13597	2.6
245.19035	5.1
249.14902	9.2
261.18488	2.3
263.16653	2.0
264.11261	3.0
271.17111	6.3
279.19601	4.7
280.20084	2.1
289.18106	81.4
290.18506	5.3
307.10352	4.2
307.19159	45.9
308.19409	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	3.4
57.03321	5.4
59.01252	15.2
61.98693	7.6
65.03830	69.7
67.01759	1.6
69.03338	3.9
71.01250	8.0
71.04887	43.4
71.45002	2.1
71.45339	2.1
73.02823	2.5
74.54572	1.6
74.97780	1.6
81.03326	3.2
83.04911	1.8
85.02832	3.2
89.02330	3.5
95.01257	1.6
97.06466	75.1
98.06855	2.4
101.02361	2.1
109.06455	2.5
119.08540	14.7
121.06478	100.0
122.06821	4.3
123.08037	4.9
125.09615	43.1
129.24834	1.7
135.04445	1.4
135.08028	2.1
137.09625	5.8
141.12743	2.2
154.58519	1.4
161.04445	4.7
163.11185	2.0
178.98691	1.8
185.11755	89.1
186.12152	3.7
209.11751	30.7
211.13330	33.8
223.13179	1.8
230.08359	1.6
233.15524	2.2
235.13359	92.7
236.13704	5.2
249.14925	2.4
274.08554	1.8
279.19406	1.8
289.18085	23.7
290.18491	2.3
307.10681	9.1
307.13840	2.2
307.15491	3.0
307.19162	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99706	0.5
59.01249	3.7
67.74662	0.4
69.03316	0.9
70.82359	0.6
70.82690	0.9
71.01242	0.7
71.04893	5.1
71.18957	0.5
80.02527	0.7
81.03321	1.7
83.04884	1.7
84.25341	0.5
85.02790	0.5
89.46590	0.4
90.37202	0.4
95.04905	2.3
97.06451	0.7
98.03623	2.2
101.02345	0.6
102.38638	0.4
106.04120	0.9
107.04897	0.5
109.02811	0.6
109.06472	14.5
111.04408	6.9
111.08036	1.3
112.05209	1.1
117.06937	0.5
120.05763	0.6
121.06467	0.7
121.10107	0.5
123.08027	1.4
127.07531	3.8
135.08073	0.9
137.05911	0.6
137.09659	0.7
143.10681	1.9
145.06531	2.7
149.09612	1.0
151.11197	1.0
161.04457	1.1
163.11238	0.5
167.10710	2.8
167.11848	0.5
177.12741	1.1
179.10670	1.4
193.12149	0.5
195.13818	4.7
207.17540	0.7
227.18085	0.5
235.13348	1.5
245.19089	5.9
249.14883	0.6
251.16475	1.5
271.17075	1.4
273.14917	0.9
287.16455	2.0
287.89990	0.5
289.18088	100.0
290.18436	8.4
307.10233	1.1
307.19116	10.1
308.19516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.5
67.30784	0.4
67.57391	0.5
70.73690	0.8
71.01255	1.7
74.98941	6.0
85.02830	0.6
91.02078	2.5
93.00021	3.7
101.02335	0.5
103.03857	0.5
103.34362	0.5
116.98605	0.5
125.02384	0.5
149.00864	2.8
159.08392	6.7
161.04556	0.7
161.06284	2.3
172.09738	0.4
192.98056	0.7
206.64841	0.5
206.99629	1.0
209.01178	1.8
217.07245	0.8
223.02792	48.1
224.02866	3.9
241.03789	1.2
275.05771	0.5
289.07541	1.5
291.09094	100.0
292.09265	10.9
307.12631	3.1
307.15292	0.7
307.19232	1.0
309.10184	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.0
59.96597	0.4
71.01260	0.6
74.98940	5.8
74.99337	0.4
75.96094	0.6
91.02087	2.5
93.00008	3.4
101.02332	0.4
103.03881	0.3
109.16726	0.3
111.06259	0.2
111.61694	0.3
112.69106	0.3
121.85942	0.2
124.56222	0.2
149.00870	3.0
159.08380	7.3
161.04395	0.3
161.06313	2.3
192.98077	0.5
206.99628	1.5
209.01167	2.6
217.07162	1.2
223.02786	51.2
224.02815	4.2
225.00722	0.4
229.14351	0.3
241.03818	1.3
261.96054	0.3
283.24771	0.3
289.07611	1.9
289.18066	0.4
291.09088	100.0
292.09222	10.9
307.12469	2.5
309.10071	1.4
310.10251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
50.36691	1.3
51.60976	1.6
58.00459	1.6
59.01251	43.1
71.01254	30.6
71.19157	3.4
72.99167	2.7
73.02805	4.7
83.01266	3.1
85.02814	8.2
87.00734	1.9
89.02311	13.8
94.62623	1.4
99.08025	5.9
101.02329	18.4
108.82273	1.4
113.02320	7.5
116.54554	1.3
118.45866	1.4
119.03375	4.4
127.07556	7.3
135.04448	2.5
145.08603	32.5
147.04539	1.8
161.04358	1.7
179.03342	4.2
180.03436	2.7
307.10828	4.0
307.13956	100.0
308.14337	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01741	1.0
58.00458	1.9
59.00952	1.7
59.01249	35.7
61.94809	0.7
69.79186	4.4
71.01254	18.5
72.99185	2.1
73.02821	1.6
77.02325	0.8
82.21404	0.7
83.01270	2.1
85.02838	4.1
87.00769	2.3
89.02316	19.8
90.02618	0.8
95.01286	1.0
98.95410	0.8
99.08037	17.9
101.02323	12.7
105.88967	0.8
106.45187	0.8
113.02333	7.8
113.15152	0.8
119.03377	9.6
127.07552	7.3
129.09126	1.2
129.83635	0.8
133.47961	0.8
140.84096	0.7
141.09061	3.0
145.08604	66.4
146.08966	1.6
148.68517	0.8
161.04437	1.1
184.89871	0.8
187.09724	2.0
278.27209	0.9
307.13971	100.0
308.14288	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95949	0.9
52.48204	0.9
57.03328	1.1
58.00446	3.4
59.01249	47.3
63.11782	1.1
69.03341	1.0
69.50964	3.2
69.51382	4.4
71.01254	25.7
72.99183	3.5
73.02810	1.8
83.01255	2.0
85.02824	8.6
87.00739	1.6
87.64351	1.1
89.02312	20.9
94.39973	0.9
95.01231	2.2
96.95892	1.1
97.02828	1.3
99.00782	1.3
99.08027	26.1
101.02328	18.7
107.46657	1.0
108.68278	1.1
113.02323	8.6
113.09575	1.3
119.03366	8.3
127.07542	6.9
129.09079	1.6
135.04422	2.4
135.85497	0.9
141.09094	2.6
143.03442	1.6
145.08603	69.8
146.08943	2.2
161.04517	2.5
175.82265	0.9
179.03485	1.7
185.22614	1.0
187.09698	2.0
229.28047	0.9
307.10748	3.4
307.13956	100.0
308.14304	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13806	1.6
59.01242	16.6
60.09974	1.7
64.42381	1.8
69.03331	5.6
71.01232	1.4
71.04871	3.8
71.53044	2.7
80.02544	3.6
82.66850	1.6
83.04899	2.5
85.02800	2.7
93.03339	4.2
95.04897	5.4
97.06464	4.0
102.04654	2.0
106.04091	1.8
109.02840	1.9
109.06523	2.4
117.06987	59.4
118.07371	2.5
119.04877	2.2
119.08515	2.2
123.08080	2.3
125.09623	22.3
133.06462	2.4
135.08066	31.2
149.02377	1.6
151.11093	1.7
161.02185	1.7
167.10724	1.9
175.03877	2.4
175.93878	1.8
177.01865	8.9
178.02588	3.8
179.14340	2.3
185.11740	5.5
189.01866	3.2
190.02650	2.5
191.03432	2.4
192.04150	2.2
195.13863	3.5
201.09064	2.1
203.03412	13.2
203.10690	2.5
204.04124	5.3
205.01241	9.0
205.04994	4.7
205.12289	4.6
206.05737	5.9
207.06523	2.5
209.11798	5.9
217.01338	2.2
217.04984	5.1
218.05809	6.3
219.02960	1.8
219.10281	2.0
221.08151	5.2
223.13345	40.6
223.15390	3.4
224.13559	4.1
229.08643	3.7
231.02922	6.0
231.06534	4.0
232.03717	6.7
232.07329	9.5
233.08081	2.3
234.05252	4.5
243.17564	5.3
245.11491	2.0
246.05330	24.3
246.09016	6.9
247.05748	4.6
247.09709	29.5
248.10080	1.9
249.07690	2.7
249.14833	2.2
257.08194	4.7
260.07053	2.2
261.07614	3.7
261.11292	2.1
261.18414	2.8
262.12036	5.1
275.09265	50.0
276.09769	8.1
277.18045	11.2
287.16507	100.0
288.16855	9.6
290.11594	25.1
291.11914	5.3
305.08246	5.3
305.13922	63.8
305.17566	45.6
305.20715	1.2
306.11234	1.8
306.14310	5.4
306.17899	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
55.67950	1.5
57.03311	1.7
58.02824	2.2
59.01246	10.6
61.98690	1.2
69.03318	1.9
71.01237	2.6
71.04891	36.9
71.16975	4.1
80.95477	1.2
81.03321	2.2
85.02812	3.3
93.03335	3.8
95.04893	16.7
97.02805	1.6
106.04106	3.1
107.04887	3.1
109.06466	14.7
121.06487	6.9
122.03638	1.7
123.04330	2.1
127.07578	3.0
135.08038	4.6
135.50702	1.4
147.04433	1.7
147.08099	4.1
150.06725	2.1
151.83588	1.3
161.05971	4.1
161.09634	1.3
165.09108	13.1
168.13797	1.8
169.14156	5.0
178.02635	3.9
186.10396	1.5
189.12791	17.1
193.04962	2.7
201.52014	1.4
205.15953	9.0
206.16208	1.5
208.07382	4.4
233.11827	8.4
243.17471	8.6
249.14926	11.4
269.15448	2.8
287.16519	79.9
288.16779	7.0
305.08514	3.4
305.17578	100.0
306.17950	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1393
Annotation	CHEBI:69327
Peak:m/z	Relative Intensity
59.01250	8.7
69.03339	2.8
71.04905	1.4
71.53674	1.3
83.04919	1.3
89.54117	1.0
93.03365	2.9
95.04906	2.0
97.06468	2.7
106.04107	1.3
113.02296	1.3
117.06998	14.8
119.04923	1.2
119.08542	1.4
119.32899	1.1
121.06487	1.4
125.09624	6.4
129.39015	1.0
133.02864	1.9
133.06451	2.3
135.08054	10.3
145.06525	1.8
147.08170	1.5
159.08046	3.2
175.03918	5.9
175.11182	1.3
177.01828	22.8
177.03293	1.5
178.02550	3.6
179.03407	1.7
179.14215	1.3
180.04189	2.4
185.11751	2.3
187.03954	1.3
189.01828	1.5
189.05553	3.4
190.02603	2.7
191.03447	4.6
192.04272	6.3
193.05017	1.8
195.13823	2.4
201.05504	2.3
201.09215	1.9
202.06647	1.1
203.03429	35.0
203.07092	3.5
203.10754	4.8
203.34427	1.2
204.04184	7.3
205.01381	9.1
205.04993	17.9
205.12344	1.9
206.05775	24.1
207.06493	7.8
209.11784	2.3
213.05524	1.8
216.04228	1.1
217.01617	1.6
217.05011	18.1
218.05777	15.9
219.06555	9.2
220.07300	1.7
221.08139	21.9
223.13313	19.6
224.13666	1.3
227.03499	1.4
228.04227	1.8
229.02736	1.3
229.05048	2.3
229.08649	5.4
230.05807	1.4
231.02960	8.8
231.06619	10.6
231.10216	2.1
232.03722	2.2
232.07362	40.8
233.04623	1.5
233.08073	10.2
234.05293	9.6
243.17494	1.8
245.04550	2.8
245.11491	1.7
246.05290	29.7
246.08934	13.1
247.05794	2.7
247.09731	43.0
248.10175	3.4
249.07668	14.5
257.08191	7.7
260.06912	3.8
261.07690	14.0
261.11343	2.2
262.12149	1.4
269.15549	1.5
275.09271	47.7
276.09940	13.8
277.18051	2.8
287.16489	27.2
288.17044	1.7
290.11591	34.1
291.11972	2.4
305.08813	5.4
305.13989	100.0
305.17599	14.8
306.14377	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.0
59.01247	5.4
65.03828	2.5
69.03316	1.7
69.23173	3.7
69.23608	4.5
71.01268	1.1
71.04887	6.9
79.05398	10.7
80.02557	1.2
83.04876	1.2
93.03317	1.4
95.04903	1.4
97.06457	13.8
100.22825	0.9
106.04118	10.5
107.04930	2.5
107.08546	1.2
108.02064	1.1
108.35812	1.0
109.06463	2.2
110.50998	0.9
113.02340	1.1
117.06993	3.4
119.04910	1.9
120.05713	5.0
121.06477	3.6
123.08035	6.4
125.09608	17.6
126.09965	1.5
134.73944	1.1
135.08054	100.0
136.08377	3.6
137.09637	2.0
151.11206	1.6
161.05948	2.3
163.11203	1.2
185.11722	2.7
189.12637	1.9
205.15926	5.1
207.10168	2.2
209.11740	1.8
221.11815	2.0
247.13382	1.3
249.14917	46.5
249.17509	2.4
250.15266	3.6
261.18692	1.4
263.16580	1.7
269.15411	1.9
277.18066	1.9
287.16510	12.3
288.16687	1.5
305.08356	4.3
305.17557	73.5
306.17868	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1757
Annotation	Corrin
Peak:m/z	Relative Intensity
50.64289	1.9
57.03320	1.9
57.44017	1.7
59.01250	9.1
63.22046	1.9
69.03355	2.0
69.62106	14.4
71.01250	3.0
71.04887	30.5
81.03339	3.9
85.02808	2.2
93.03354	3.3
95.04913	14.3
97.06432	2.2
98.20551	2.3
107.04913	2.3
108.02026	2.2
109.06470	12.1
111.04333	3.0
117.06984	2.8
120.92258	1.7
121.06487	4.3
122.03676	3.5
125.02265	2.9
125.09664	5.0
135.08054	21.4
137.09610	2.0
147.04268	2.3
158.67874	1.9
161.09616	2.8
165.09094	10.0
168.76184	1.9
170.61314	1.8
175.07593	2.8
175.11134	2.2
185.11642	2.8
189.12840	10.4
205.15932	10.2
233.11777	4.8
243.17490	9.3
249.14905	12.3
269.15488	3.8
287.16534	69.1
288.16934	6.8
305.08401	3.6
305.14456	3.4
305.17578	100.0
305.21075	4.9
306.17932	8.1
320.00696	2.1
328.02026	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2021
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03310	1.7
59.01241	2.1
69.03307	1.3
70.91702	0.4
71.04906	0.9
71.34108	0.6
71.34447	0.6
79.95602	0.6
83.04900	1.4
84.02022	0.5
85.02812	0.8
95.04875	1.8
96.95892	1.2
97.06476	8.2
98.06776	0.4
99.08036	10.6
106.79465	0.5
109.06474	0.9
123.00761	0.5
125.05984	1.0
126.91126	0.4
127.07521	0.9
127.11166	3.8
129.09099	1.4
130.30797	0.4
135.08002	0.4
137.09641	1.0
138.03096	1.0
139.07619	0.5
139.11191	8.4
143.07045	8.4
144.07317	0.5
151.00285	0.7
155.10683	4.9
157.12332	0.9
165.09038	0.7
171.10233	0.6
181.08598	1.3
183.10188	24.6
184.10490	0.7
201.11267	14.1
202.11548	1.0
217.07407	0.5
248.58063	0.5
265.18073	1.8
283.19141	1.2
286.08774	0.5
301.02792	1.4
301.20197	100.0
302.20523	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2171
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
55.81833	0.7
56.37886	0.6
112.31670	0.7
116.95459	0.6
123.00787	1.1
136.71651	0.7
139.03885	0.9
162.16193	0.6
217.07233	1.2
229.16827	0.8
297.49817	0.7
301.21707	100.0
302.22031	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74930	0.2
59.01249	0.2
69.03332	0.3
71.53239	0.3
73.77921	0.2
77.04903	0.2
79.95615	1.3
84.79629	0.2
95.95131	0.2
96.95888	100.0
97.02840	0.2
97.95819	0.3
101.37691	0.2
106.19513	0.2
109.02860	0.2
118.01492	0.2
119.52097	0.2
120.99544	5.4
121.00403	0.4
133.02852	0.3
134.32799	0.2
135.04410	2.0
161.02367	0.7
179.03423	1.0
187.07542	0.3
215.07091	0.7
246.11996	0.2
259.06201	0.3
303.09061	27.9
304.09348	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	45.1
59.01251	0.7
59.03187	0.6
69.72466	0.3
70.02857	0.3
70.81900	0.7
110.60907	0.3
168.13849	100.0
168.98914	0.3
169.14207	4.6
212.12877	4.5
304.19254	0.9
315.55847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03110	0.4
54.64391	0.4
59.01248	40.0
62.25021	0.4
69.36419	3.2
71.01224	0.7
79.95605	2.1
96.95885	100.0
97.06472	0.9
116.23592	0.4
135.08047	1.1
136.88010	0.4
143.04489	0.7
147.08098	1.7
163.11304	0.5
181.12228	0.6
207.10300	0.4
225.11269	20.7
226.11580	1.3
241.32805	0.4
247.09958	0.4
305.06985	68.4
306.07288	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01343	1.3
75.01344	0.5
79.95588	1.3
91.88759	0.5
96.95885	100.0
136.84358	0.6
141.02501	0.6
142.41255	0.6
146.61607	0.5
157.12785	0.5
160.06265	1.4
161.07106	2.0
175.08704	1.0
189.06592	1.4
203.08171	0.6
229.09727	0.7
305.10635	27.5
306.11102	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0355
Annotation	Quercetin
Peak:m/z	Relative Intensity
59.01261	0.4
63.02268	11.4
64.02579	0.5
65.00195	20.0
66.00545	0.2
71.00420	0.5
81.03352	0.3
83.01257	12.6
84.01591	0.2
93.03339	5.7
94.91232	0.2
95.01254	0.8
96.95888	0.6
104.92880	0.2
107.01270	30.9
107.80703	0.2
108.01595	0.7
108.02173	0.3
108.99195	0.6
109.02838	3.7
111.00759	0.5
118.01334	0.2
119.01259	0.3
119.04942	0.2
121.02845	25.9
121.25716	0.2
122.03133	1.2
123.00757	0.6
124.01556	0.7
125.02377	1.3
133.02821	0.3
135.00830	0.4
135.04388	0.2
137.02332	0.3
139.03908	3.0
143.04900	0.4
145.02834	0.4
147.04446	0.6
148.01544	0.5
149.02345	3.9
149.03522	0.2
150.02835	0.2
151.00275	79.6
152.00607	2.1
158.97958	0.2
159.04427	1.2
161.02330	1.5
161.05930	0.3
162.03047	0.3
163.00288	2.2
163.03917	1.4
164.01051	2.0
165.01810	0.4
169.01343	5.9
171.04410	0.3
173.06047	0.3
175.03911	1.1
177.05414	0.3
178.99780	28.0
180.00113	1.1
183.04401	0.9
185.05963	0.5
187.03931	1.2
189.01851	0.4
191.03151	0.2
192.00581	0.6
193.01381	1.5
196.00056	0.6
199.03947	0.5
200.04587	0.3
201.05580	1.3
203.03476	0.5
205.05081	0.9
210.03362	0.2
211.03912	1.5
212.04486	0.3
213.05501	0.3
227.03462	1.1
228.04063	0.4
229.05016	2.3
230.02235	0.4
230.05293	0.2
231.02861	0.3
239.03430	0.5
240.04179	0.2
243.02927	0.8
244.03387	0.4
245.04553	3.1
255.02937	1.7
256.03412	1.0
257.04535	1.2
271.02484	0.5
272.02808	1.8
273.04044	4.0
274.04428	0.3
283.02411	0.5
284.03174	0.5
299.01993	0.6
300.02390	0.3
301.03506	100.0
302.03864	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	AC1L9BFA
Peak:m/z	Relative Intensity
59.01249	1.5
59.83694	0.4
63.02266	9.4
65.00195	15.4
71.53150	0.4
71.53562	0.5
78.24446	0.4
80.04931	0.6
83.01261	10.2
83.01720	0.9
93.03348	4.6
95.01266	0.7
96.95879	2.6
106.06518	1.1
107.01274	24.6
108.01586	0.9
108.04441	4.1
109.02822	3.0
111.00773	0.6
120.37070	0.4
121.02850	20.4
122.03167	1.0
123.00784	0.9
124.01580	1.0
124.07597	1.7
134.03601	2.3
136.07588	9.1
137.02261	0.5
139.03937	2.5
145.02815	0.5
148.01505	0.5
149.02310	3.1
149.05998	1.9
150.05504	0.6
151.00278	66.7
152.00676	2.1
159.04459	1.1
161.02368	1.4
163.00316	1.6
163.03920	1.2
164.01060	1.5
164.42339	0.4
169.01363	6.2
173.06047	0.6
175.03883	1.0
178.99783	23.3
180.00124	1.0
183.04463	0.9
187.03886	0.9
193.01303	0.9
196.00099	0.6
199.03815	0.6
201.05545	1.2
203.03502	1.0
205.05009	0.9
206.32265	0.4
211.04025	0.8
227.03421	1.1
229.05067	1.5
241.00291	0.7
243.02946	0.5
245.04559	2.1
255.02942	1.4
257.04483	1.2
257.12943	18.4
258.13251	1.1
272.02637	0.7
273.04077	3.7
283.02432	0.6
284.03381	0.5
301.03522	100.0
301.20172	2.2
302.03830	6.1
308.03333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
56.35435	0.2
60.97366	0.9
67.71276	0.2
71.24858	0.6
74.98952	0.6
79.68380	0.2
82.45231	0.2
92.99994	0.3
110.61932	0.2
118.96141	0.6
120.72093	0.3
120.97751	0.2
123.00711	0.3
134.99283	5.9
136.97214	2.5
141.07315	0.3
143.05234	0.6
150.98776	0.5
152.11116	0.2
152.96788	0.4
159.08344	1.7
161.06296	7.3
161.07610	0.5
162.06374	0.2
201.04074	0.4
203.05585	3.2
205.03600	1.3
215.05598	1.1
217.07156	89.4
218.07304	5.8
235.08244	0.6
261.06219	0.9
283.11856	0.7
285.13458	36.6
286.13657	4.0
301.16586	100.0
302.16766	12.6
317.85193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1864
Annotation	Achaetolide
Peak:m/z	Relative Intensity
51.83659	0.5
55.57040	0.4
57.03323	2.9
58.00470	0.6
59.01251	3.4
59.32975	0.5
62.38451	0.4
67.56086	0.4
69.03305	0.8
71.01258	1.5
71.04894	0.6
71.40279	0.5
71.40633	0.9
73.80941	0.4
83.04898	1.8
84.02043	1.1
85.02834	3.6
85.36272	0.5
95.01237	0.4
95.04908	2.3
97.02834	0.5
97.06469	8.5
99.08034	3.4
109.06461	0.6
113.09585	0.9
121.06471	1.0
123.08073	0.8
125.05968	0.8
127.01709	0.5
127.11169	2.1
135.08037	0.7
137.09622	2.2
139.07524	1.5
139.11230	3.6
143.07047	7.6
149.09596	4.3
153.09087	0.6
155.10707	4.9
157.08580	0.8
165.09058	1.2
165.12659	0.6
167.10678	0.8
170.45486	0.5
171.10179	0.5
175.07545	0.9
181.08641	1.3
183.10191	19.1
184.10486	0.5
188.04103	0.5
193.08618	1.5
199.09641	0.6
201.11267	15.1
202.11711	0.6
211.09683	1.9
219.17444	1.7
252.78091	0.5
261.38275	0.5
263.16537	4.7
281.17596	1.7
299.02042	1.1
299.18631	100.0
300.18988	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00531	1.1
59.01334	3.0
71.01311	0.6
71.46622	0.5
73.02884	1.1
74.59500	0.4
79.95628	3.0
80.92089	0.5
85.79704	0.5
96.95920	0.6
97.06541	0.9
99.92524	0.7
109.06565	0.5
117.03344	2.9
125.09621	4.1
127.11197	6.3
137.09657	1.6
138.05556	0.7
139.11276	1.3
145.02864	15.2
153.09244	0.5
155.10651	3.1
163.03995	0.6
165.09134	1.9
171.10184	5.2
183.10182	1.2
199.03905	0.6
199.09717	1.9
201.11258	100.0
202.11612	3.8
217.00255	1.5
219.17502	1.3
227.03256	0.6
227.68695	0.6
232.11072	0.6
241.14334	2.3
243.02634	0.6
255.02727	0.8
262.10049	0.5
263.16364	1.5
271.02521	3.6
281.17621	6.2
284.03128	1.0
299.01724	3.3
299.05185	0.8
299.13144	1.7
299.16309	21.1
299.25650	1.8
300.02374	1.7
300.16718	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81006	0.1
63.02267	1.4
63.96109	0.1
64.99848	0.1
65.00190	2.0
65.00515	0.1
70.18042	0.3
79.01766	0.1
80.02563	0.1
81.03348	0.1
83.01254	1.3
91.01755	0.6
93.03347	0.2
95.01281	0.3
96.95904	0.1
98.19793	0.1
101.03857	0.1
104.18874	0.1
107.01264	4.4
108.02052	4.1
109.02853	0.3
111.00775	0.3
111.81372	0.1
119.01275	0.3
120.02111	0.4
121.02833	0.7
123.00782	0.4
124.01556	0.9
125.02364	0.1
127.05496	0.1
131.04938	0.1
133.02849	0.2
134.00014	0.1
135.00777	2.6
136.01567	0.2
137.02254	0.1
139.00316	0.1
139.03931	0.1
141.03400	0.1
143.04942	0.5
145.02849	0.3
146.03601	0.1
147.00777	0.8
147.04399	0.1
148.01563	5.1
149.02003	0.2
149.99536	0.3
151.00272	5.2
152.01091	0.3
153.01846	0.3
154.04192	0.1
155.04924	0.4
156.05310	0.1
157.02902	0.4
158.03529	0.1
159.04353	0.4
160.01456	0.1
161.02382	0.2
163.00279	2.9
163.03952	0.1
164.01070	1.9
165.01782	0.2
167.04964	0.2
169.01349	0.4
169.02785	0.2
170.03598	0.1
171.04424	1.3
172.05078	0.3
173.02348	0.4
174.03183	0.3
175.03963	0.4
178.99800	1.0
181.03047	0.1
182.03552	0.5
183.04459	1.6
184.04785	0.1
185.02446	0.4
186.03123	0.1
187.03920	1.7
188.04671	0.3
189.01881	0.1
190.99847	0.2
192.00583	0.7
193.01266	0.1
197.02408	0.3
198.03125	1.0
199.03922	5.0
200.04285	0.5
201.01871	2.3
202.02599	0.5
203.03468	1.3
204.03906	0.1
209.00772	0.2
210.02888	0.1
211.03932	2.3
212.04347	0.1
213.01836	0.8
214.02518	0.4
215.03441	3.7
216.04163	1.2
225.02017	0.1
226.02644	2.8
227.03444	7.8
228.03865	0.7
229.01355	1.3
230.02148	0.2
233.04359	0.1
239.03351	0.1
242.02179	0.8
243.02954	22.8
244.03352	2.2
245.04218	0.1
253.01511	0.2
254.02184	2.9
255.02959	39.1
256.03323	3.1
257.00589	0.1
258.01779	0.2
269.00638	0.1
270.01651	0.2
271.02460	86.1
272.02945	9.6
273.03650	0.4
283.02411	0.4
286.01175	0.2
299.01993	2.0
300.02713	100.0
301.03192	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
52.44104	0.6
59.01250	12.2
59.08064	0.8
71.01257	7.6
71.44476	0.8
71.44788	0.9
73.02823	1.2
79.01780	1.7
83.01252	1.2
85.02834	2.2
87.00759	0.7
89.02321	9.6
101.02323	5.8
102.79331	0.7
113.02351	4.0
119.03405	4.0
121.43214	0.7
127.11175	2.0
135.06497	3.7
143.03375	0.8
149.05954	0.9
161.04448	1.8
171.10197	9.2
179.05548	1.3
183.01132	5.9
184.01686	0.9
193.05000	1.8
279.23267	10.9
280.23679	1.3
297.04248	1.4
297.11624	11.9
297.15277	10.8
297.24347	100.0
298.11975	1.0
298.15353	0.8
298.24680	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0197
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
57.08839	0.7
58.81099	0.7
59.01240	2.9
59.38592	0.8
63.02268	5.0
65.00212	2.6
68.44432	0.7
69.14757	0.6
71.10482	1.1
71.10828	1.7
79.95614	1.5
83.01281	1.2
89.00204	0.9
89.02315	0.8
93.03350	0.8
96.18333	0.7
96.95898	2.0
107.01257	4.9
109.02833	4.4
114.15007	0.7
115.05450	1.2
117.03341	4.0
119.04908	1.2
121.02865	1.0
127.07542	0.7
132.04324	0.7
133.02853	9.7
134.00110	0.6
135.00783	1.6
135.08057	0.9
137.02299	0.7
137.95497	0.7
143.04933	2.4
145.01736	0.6
145.02859	17.4
147.00763	1.3
147.04456	1.5
151.00285	4.5
155.04941	1.4
157.02901	2.3
159.04373	1.0
171.04410	8.1
173.02374	1.2
175.03915	3.5
175.55687	0.8
183.04398	1.8
185.02322	1.2
187.03975	3.2
197.02536	1.7
198.03134	2.4
199.03938	14.7
200.04286	1.5
201.01848	4.3
203.03510	1.5
214.02721	1.2
215.03432	7.0
226.02725	2.7
227.03444	8.1
230.91241	0.7
242.02112	1.7
243.02957	9.0
255.03104	2.8
256.03607	2.1
271.02475	85.4
272.02734	4.2
284.03253	13.1
285.03586	1.0
299.02023	100.0
299.05603	11.9
299.16443	21.0
299.25784	1.8
300.02515	13.4
300.05756	1.5
300.16769	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0196
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
59.01212	1.2
63.02214	3.9
65.00137	2.3
70.69170	0.5
71.53316	0.7
79.95551	1.1
83.01191	1.3
89.00175	0.5
91.01698	0.8
95.01211	0.5
96.95837	1.3
99.92432	0.5
103.91435	0.5
107.01265	4.0
109.02166	0.4
109.02826	5.2
115.05352	1.1
117.03281	2.0
119.01226	0.7
119.04876	0.7
123.00693	0.6
131.04935	0.7
133.02855	10.0
135.00722	1.3
143.04942	3.9
145.01819	0.7
145.02852	9.1
146.03088	0.5
147.00790	1.1
147.04372	1.0
151.00294	4.4
155.04860	1.4
157.02847	2.7
159.04349	1.0
161.02231	0.8
163.00333	0.5
163.03838	0.6
169.01398	1.0
169.02835	0.8
170.03513	0.5
171.04401	7.4
173.02280	2.1
175.02747	0.4
175.03923	4.2
182.03635	0.9
183.04445	0.8
185.02223	0.6
187.03934	4.1
189.05495	0.8
197.02327	2.0
198.03233	2.5
199.03938	15.9
200.04170	0.7
201.01878	5.5
203.03436	1.2
213.01804	1.2
214.02652	1.2
215.03423	5.9
216.03761	0.5
225.01796	0.6
226.02635	3.3
227.03424	8.9
228.03732	0.5
242.02066	2.7
243.02960	9.1
255.02986	3.3
256.03513	1.0
271.02466	85.2
272.02847	6.7
282.01636	0.6
284.03232	6.5
299.01974	100.0
299.16425	11.3
299.25769	1.0
300.02463	12.1
300.16827	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.4
58.00459	3.3
59.01250	8.8
62.50072	0.9
63.02256	1.7
69.03333	1.9
71.01256	1.6
71.54415	1.7
73.02800	2.0
74.34939	0.8
74.52951	0.9
74.83303	0.9
74.98972	1.0
79.95613	2.1
80.02551	0.8
83.04919	1.3
95.04899	1.6
96.95882	2.4
97.06480	6.3
99.08013	1.0
107.01221	1.2
109.02831	1.0
109.06474	2.9
111.08042	13.9
117.03354	4.2
119.04948	1.6
121.02832	0.9
121.10049	1.6
123.08029	2.0
124.88065	0.9
125.09629	10.0
127.07518	2.1
133.02802	3.4
137.02299	1.4
139.11214	1.0
141.09097	9.7
143.04906	1.0
145.02855	19.2
149.09596	1.2
151.00369	1.2
151.07529	2.6
153.09081	3.2
155.10686	2.1
161.66000	1.0
163.03804	1.2
169.08611	56.1
170.08968	2.4
171.04382	1.8
171.10193	9.0
173.02277	1.1
183.10193	10.2
187.03856	1.4
199.03931	3.8
199.09703	1.4
201.01875	1.2
201.11252	1.2
207.10197	3.4
215.03513	2.5
219.17461	0.9
225.11183	1.5
227.03473	2.7
235.17075	1.1
243.02904	3.3
255.03084	1.3
263.16467	3.2
271.02460	22.6
272.02676	1.7
281.17645	8.5
284.03174	2.5
298.98712	1.7
299.02014	25.6
299.05374	1.8
299.18884	100.0
299.25568	2.8
300.02603	5.8
300.19308	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
58.00472	0.4
59.01251	6.3
61.73822	0.3
65.40030	0.3
69.39803	2.6
71.01253	4.2
73.02803	0.4
75.07059	0.3
79.01772	0.5
85.02824	1.1
89.02317	4.6
101.02333	2.9
113.02312	1.4
117.05518	0.3
119.03398	1.7
119.04818	0.4
124.98510	0.3
135.04448	0.3
135.05634	0.3
135.06537	1.9
136.43013	0.3
149.05986	0.6
150.03154	0.5
152.36443	0.3
161.04433	1.0
178.02571	0.3
179.05504	1.1
183.01129	6.1
184.01819	1.0
193.05070	0.6
205.03569	0.3
216.00960	1.0
233.40771	0.3
237.09770	0.4
251.23761	1.3
253.25403	0.4
255.10278	0.7
279.23273	1.0
295.22766	0.7
297.11627	5.6
297.15277	14.6
297.24332	100.0
298.12149	0.6
298.15591	1.7
298.24661	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60816	1.3
57.03310	1.3
59.01239	3.9
63.99425	1.2
66.15919	1.1
69.03333	1.3
71.44723	1.5
99.08046	1.4
105.50311	1.3
119.67088	1.1
125.09561	1.5
141.12709	1.3
171.10175	57.7
172.10539	1.5
183.10187	3.8
209.14717	1.1
262.70447	1.3
277.21719	71.4
278.22037	4.8
295.22778	100.0
296.23087	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25728	0.3
52.46991	0.4
52.77023	0.4
53.49359	0.4
54.60870	0.3
57.03280	0.5
58.14047	0.3
58.55716	0.4
59.01251	6.1
64.83764	0.3
65.00166	1.4
70.45412	0.8
70.45773	0.9
71.00910	0.4
71.01244	4.0
73.70205	0.4
79.01711	0.4
85.02778	1.0
89.01846	0.4
89.02314	4.8
95.01216	0.5
101.02323	2.7
110.65106	0.3
113.02281	1.7
119.03373	1.9
124.02447	0.4
135.04424	0.4
135.06567	1.8
149.05804	0.4
151.05301	0.4
157.02841	2.4
161.04398	1.0
165.00047	0.4
167.04945	1.8
179.05319	0.9
181.02766	0.5
183.04326	0.7
185.06056	0.4
193.04878	0.5
195.04443	7.9
196.04678	0.5
197.05998	1.4
207.04433	4.0
209.02289	1.2
211.03986	2.0
213.05559	3.7
222.03259	0.9
223.03938	14.3
224.04285	0.7
225.01871	4.9
235.03960	5.1
237.01898	5.5
238.02493	0.6
239.03378	1.0
241.05022	0.4
250.02710	2.9
251.03467	41.2
252.03795	2.5
253.01453	1.1
267.02908	0.6
279.02966	100.0
280.03302	7.9
292.83191	0.4
297.04034	51.2
297.20773	1.1
297.24329	2.6
298.04410	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.5
59.01245	2.4
61.40466	0.3
63.02267	1.6
65.00197	18.6
66.00522	0.5
67.01762	6.0
68.99691	3.9
69.81116	0.7
69.81526	1.0
71.01248	1.2
76.48006	0.4
79.01765	3.1
80.08933	0.3
83.01263	3.2
85.02806	0.7
85.35078	0.3
89.00209	2.6
89.02306	1.4
91.01759	2.5
92.99696	1.2
93.03307	0.4
95.01257	4.8
98.19778	0.5
101.02306	0.6
107.01273	9.7
109.02833	0.8
111.00761	3.7
113.02361	0.5
117.03349	18.1
117.27818	0.3
118.03661	0.9
119.03394	1.0
120.99198	0.7
122.23687	0.3
122.99911	0.6
123.00780	7.5
129.03339	0.5
132.99136	0.3
133.02855	3.6
133.06027	0.3
135.00789	2.7
135.06592	0.6
137.02380	0.5
139.05408	0.5
141.03392	2.0
141.06961	0.3
143.04919	1.2
145.06499	0.7
149.99492	0.9
151.00281	11.1
152.01003	0.5
155.04877	0.9
157.02827	0.8
157.06520	0.4
159.04417	1.2
161.02272	0.5
167.04958	3.6
169.01361	0.6
169.02760	0.4
169.06516	2.8
171.04411	0.7
173.05963	1.0
176.98213	2.3
178.99786	27.1
179.04985	0.5
180.00102	1.0
181.06516	1.0
183.04451	6.5
185.02368	14.9
185.05966	0.9
186.02686	0.8
187.03934	0.6
195.04480	2.3
196.05128	0.7
197.06035	3.5
198.02986	0.5
199.03912	1.2
201.05551	0.6
207.04451	2.5
209.02486	0.4
211.03951	4.1
223.03941	3.2
225.05484	3.4
227.03307	0.5
237.09587	0.4
238.02698	0.7
239.03474	3.5
241.05000	0.8
251.03491	2.7
267.03049	3.3
268.03717	3.9
269.04553	14.1
270.04932	0.8
279.02927	0.5
295.02466	1.1
296.02850	0.3
297.04037	100.0
297.24197	1.0
298.04428	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1707
Annotation	15-keto-2,3,4,5-tetranor-PGF2alpha
Peak:m/z	Relative Intensity
50.25042	0.7
53.45770	0.8
56.68565	0.7
57.03321	2.1
58.00480	0.9
58.44180	0.9
59.01252	35.1
62.18787	0.7
69.03308	1.1
71.01255	6.9
71.33447	1.5
72.02023	0.9
80.02531	1.8
81.03342	3.0
83.04898	34.4
84.02037	4.5
85.02829	2.1
89.02309	3.1
95.04903	2.3
97.06446	6.9
99.04344	0.8
99.08041	2.8
101.02351	1.8
109.06483	8.4
113.02303	1.5
113.09632	1.6
115.07536	0.8
117.44808	0.7
119.03409	1.7
119.08567	1.2
121.06503	1.2
123.08007	0.8
127.07540	7.6
135.08046	12.4
137.09633	4.9
139.07553	3.6
140.93777	0.7
145.02948	0.8
151.07532	0.8
153.09174	1.5
154.10048	0.9
154.39192	0.9
154.50191	0.8
155.10663	1.1
157.08626	9.5
163.07603	3.0
164.08122	0.9
165.09229	0.8
169.08604	9.2
178.09885	1.8
179.05504	1.4
181.08624	100.0
181.12006	4.6
182.08968	5.3
199.09602	4.4
210.08926	14.8
211.09332	1.1
217.15950	5.1
228.10007	2.4
235.17010	3.4
261.14890	4.0
279.16022	37.8
280.16422	3.4
297.11908	3.6
297.17050	15.6
297.24344	2.6
298.17322	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
52.42189	0.6
52.60014	0.6
54.94520	0.5
57.03335	0.7
59.01253	10.2
62.39121	0.7
62.41688	0.6
69.24185	0.7
70.14638	0.6
71.01251	4.0
73.02816	1.1
75.08544	0.6
78.31754	0.7
81.20741	0.6
85.02843	1.8
89.02326	1.4
101.02311	3.0
113.02358	1.7
121.10140	0.6
122.22882	0.6
133.04953	2.5
141.12822	1.7
151.11171	0.9
161.04463	1.7
169.12277	3.0
179.14308	0.6
196.14146	0.8
197.11760	2.1
197.14490	1.1
223.43631	0.6
224.13586	0.8
235.08218	0.9
251.23651	1.0
253.09315	1.4
277.21713	8.3
295.10388	2.0
295.22742	100.0
296.23163	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
57.03312	1.1
59.01236	2.8
64.67319	0.7
69.88250	0.7
70.55370	1.7
70.55734	1.4
113.09594	1.9
121.06470	0.7
121.51724	0.8
171.10185	10.3
179.14322	0.9
183.10181	1.8
195.13835	14.5
259.89423	0.7
277.18634	1.4
277.21716	28.0
278.22003	2.5
295.22775	100.0
296.23132	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.64381	0.6
51.93728	0.5
57.03312	1.4
59.01247	1.9
71.30115	1.2
109.52036	0.7
113.09618	1.6
125.09608	0.8
171.10176	25.1
183.10172	1.9
195.13849	9.0
243.10786	0.6
251.05881	0.6
277.21725	39.3
278.22040	3.3
295.22781	100.0
296.23141	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.70581	1.2
54.44126	1.2
57.03313	1.5
57.41229	1.3
59.01254	10.3
62.17204	1.3
67.16239	1.3
70.39906	3.5
71.01253	3.1
89.02308	2.5
99.07986	1.3
101.02279	1.8
113.02340	1.6
125.09620	2.0
142.83362	1.1
151.11192	1.3
161.04578	1.9
171.10181	34.5
195.13824	2.9
259.20874	1.3
277.21710	43.6
278.22073	2.7
295.10376	2.3
295.22781	100.0
296.23041	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03303	1.0
59.01253	6.9
61.98695	1.6
69.03321	1.1
69.41201	4.9
71.01250	6.3
73.02814	0.9
80.23101	0.7
83.01292	0.7
83.04942	0.9
85.02793	1.0
87.00730	1.1
87.43929	0.7
89.02318	4.6
91.67509	0.7
97.02834	1.2
101.02347	1.2
123.07986	1.1
125.02318	0.8
131.03387	1.4
131.23070	0.8
134.74902	0.7
136.08815	2.2
139.11212	0.8
151.11174	2.7
153.09096	1.1
161.04462	2.9
169.12196	2.1
192.11507	1.3
193.15878	2.0
197.11765	33.9
198.12068	1.5
220.14612	3.8
221.15396	5.8
231.21231	1.4
236.10587	4.3
249.18565	1.8
257.43942	0.7
275.20163	19.6
276.20398	1.2
288.62540	0.7
293.08746	6.5
293.21198	100.0
294.21500	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.2
70.86885	0.9
71.01247	0.5
76.47744	0.4
97.06422	0.4
111.08067	0.6
120.95090	0.4
121.10159	0.8
135.27707	0.4
167.10733	0.4
171.10162	1.4
178.49667	0.4
179.14371	1.3
185.95953	0.4
195.13829	14.4
196.14497	1.3
205.12267	0.9
205.15840	0.4
211.13277	1.6
223.13344	12.7
224.13792	0.8
228.13623	1.7
231.21284	0.6
234.23477	0.4
256.13150	5.0
275.20154	10.1
276.20471	1.0
293.21222	100.0
294.21573	8.9
297.84201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03090	0.5
57.03322	6.2
59.01239	3.1
66.12811	0.5
70.82554	1.3
74.06579	0.5
96.42077	0.5
97.06457	1.3
100.77557	0.5
109.06445	0.8
113.09603	22.1
121.10120	3.3
139.11166	2.2
140.40131	0.5
149.09642	0.6
167.10663	2.5
171.10156	5.5
177.12755	1.3
179.10681	1.8
195.13863	4.1
249.22282	2.4
275.20126	8.1
276.20337	0.5
293.21213	100.0
294.21530	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98609	1.1
59.01251	2.6
69.23618	2.4
69.24016	9.8
73.13520	0.9
97.06435	1.3
98.20575	2.3
114.26692	1.1
119.70703	0.9
121.10120	43.4
125.09624	1.5
164.28435	1.3
171.10184	75.8
172.10489	3.0
183.10217	2.7
183.13792	8.9
185.11713	3.9
192.33557	1.1
197.11766	1.6
231.21138	4.1
235.17046	2.3
235.81847	1.5
246.80949	1.2
275.20148	100.0
276.20505	6.9
293.21222	85.0
294.21536	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.4
69.55295	0.3
71.01254	0.6
71.45338	0.6
81.35645	0.3
88.25841	0.3
97.06471	0.9
121.12153	0.4
123.08068	0.8
125.09615	4.1
141.12743	1.1
149.09596	1.4
151.69955	0.4
183.13799	1.0
185.11751	9.6
186.12099	0.6
197.11800	2.5
211.13379	0.6
221.15442	0.5
249.22192	0.9
275.20120	0.9
293.21216	100.0
294.21536	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	3-Oxo-2-(2-entenyl)cyclopentaneoctanoic acid
Peak:m/z	Relative Intensity
57.03315	2.6
59.01252	8.5
61.98697	1.3
69.57023	0.8
71.01249	6.8
71.52937	1.3
72.99194	0.9
73.02808	1.5
79.09743	0.8
80.83491	0.7
81.03230	0.6
85.02814	2.7
85.06465	0.8
89.02317	4.8
95.46704	0.6
97.02847	1.2
97.06485	0.7
101.02294	1.7
113.02335	1.3
113.09605	2.5
123.07999	1.2
125.09641	3.7
131.03386	2.0
141.12721	1.1
149.09648	1.7
156.13858	8.1
157.14188	9.7
161.04443	3.8
177.09177	0.9
185.11736	8.0
197.11734	1.7
201.13150	0.9
205.12326	1.2
220.14629	7.3
221.15413	13.7
236.10487	10.1
249.22137	0.9
268.62689	0.7
275.20087	1.5
293.08798	7.4
293.21213	100.0
294.09213	0.9
294.21542	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27586	0.7
55.01755	1.0
57.03309	1.0
58.00471	2.0
59.01249	41.5
63.67663	0.8
71.01253	25.5
71.52216	1.3
72.99172	2.4
73.02802	1.8
83.01247	2.5
85.02811	7.5
85.06461	16.4
87.00749	1.8
89.01756	1.4
89.02313	26.3
95.01249	1.8
99.00768	1.0
101.02315	17.4
101.85275	0.7
109.14142	0.7
113.02339	9.0
113.05958	4.9
115.07520	2.4
119.03379	9.8
121.19159	0.7
123.70415	0.8
127.07518	2.6
131.07033	67.9
132.07350	2.6
135.40358	0.7
156.56342	0.7
161.04459	2.2
173.08139	2.5
179.05484	1.6
250.69426	0.9
293.12408	100.0
294.12686	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.4
70.93620	0.4
71.01250	8.6
72.41319	0.2
89.02292	0.3
127.07498	0.8
148.05194	1.2
151.07497	0.6
164.08292	1.1
166.78557	0.3
177.09143	5.1
190.09854	0.4
192.11473	7.0
193.12021	0.8
196.07243	0.3
205.12286	7.0
206.12683	0.3
207.13840	1.5
217.08788	0.4
218.09404	2.2
220.14629	50.5
221.15402	100.0
222.15756	6.4
235.13229	1.2
236.10495	70.6
237.10898	4.5
293.08731	0.5
293.17618	7.5
293.21036	0.9
294.17889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02835	0.8
59.01245	3.9
67.46951	0.6
70.59013	2.0
71.01257	2.9
73.02829	0.8
85.02823	1.3
89.02313	2.0
91.60432	0.6
97.02835	0.9
101.02300	0.8
156.13843	100.0
157.14192	4.7
161.04471	1.7
177.09158	0.7
200.12830	6.1
220.14636	3.7
221.15419	7.2
236.10446	4.7
275.20010	1.3
292.19940	5.3
293.08795	5.7
293.17728	0.9
293.21182	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1032
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
50.25812	4.0
53.47444	3.5
55.01748	7.5
57.03313	7.3
59.01244	33.0
60.88836	4.3
69.03336	7.2
71.01253	36.9
72.99157	8.5
73.02808	6.1
77.46890	3.9
78.28297	4.1
79.05422	3.9
79.95630	4.9
83.01259	6.9
83.04868	5.8
85.02824	19.9
89.02316	10.8
95.04893	11.0
96.95863	7.1
97.02843	20.2
99.00760	5.0
99.04350	3.9
101.02336	22.6
107.04929	8.3
109.02860	19.0
109.06483	10.8
111.04395	23.8
111.08051	6.1
113.02305	12.5
121.06447	12.6
122.02815	6.9
122.03628	69.9
123.04379	5.7
124.05186	38.4
125.02386	5.9
125.05959	6.1
131.03432	4.5
134.03622	15.0
134.33278	3.8
135.04407	21.0
136.05112	5.4
137.05962	36.1
138.06764	26.4
139.07549	100.0
140.07913	5.0
143.03314	3.7
149.05991	4.4
161.04492	15.8
162.06770	4.4
163.07489	9.0
163.11177	5.9
171.08073	14.1
175.07600	5.5
177.12703	5.4
183.48744	4.4
185.09618	4.4
187.07619	5.3
187.11197	84.0
189.09131	7.9
190.09897	14.7
205.12300	51.4
206.12346	4.8
231.10272	20.9
249.11357	37.3
250.11658	5.5
275.09082	5.5
293.05341	5.7
293.10638	54.2
293.21249	7.1
301.89136	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
57.03328	1.3
70.10023	2.3
72.02705	0.5
83.62752	0.5
93.06960	1.2
97.06462	1.1
115.12872	0.6
121.10112	14.1
122.10437	0.8
123.08029	1.2
125.09615	6.0
141.12726	0.6
147.08072	1.1
156.78241	0.6
165.12737	0.5
171.10201	0.5
185.11754	13.5
186.12108	0.6
195.13783	0.6
197.11743	3.2
198.93637	0.5
209.11734	1.4
211.13365	1.8
223.13460	1.0
247.13356	0.6
247.20583	1.2
267.97195	0.6
273.18573	1.4
291.19656	100.0
292.19983	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
55.39929	0.4
59.01236	0.4
73.02816	57.5
74.03151	0.8
81.87579	0.3
112.43690	0.4
229.55530	0.4
273.46240	0.4
291.19647	100.0
292.19974	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1919
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
52.04272	0.6
52.95214	0.6
58.02849	1.4
59.01247	5.4
71.01254	2.6
71.52822	0.9
72.61938	0.7
85.02814	1.1
89.02325	2.8
91.98138	0.7
97.06444	0.8
108.04414	1.0
120.57487	0.6
125.09612	0.9
131.03319	0.7
156.13849	100.0
157.14171	5.4
161.04478	0.9
178.02724	0.6
185.11768	1.9
200.12846	6.7
220.14600	3.5
221.15401	6.0
227.32829	0.6
232.91467	0.6
236.10562	4.0
269.31201	0.6
292.19989	8.1
293.08752	4.9
293.17911	1.3
293.21210	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1114
Annotation	Carbinoxamine
Peak:m/z	Relative Intensity
54.91317	0.1
59.01231	0.1
61.75208	0.1
70.93043	0.2
70.93376	0.1
79.95602	1.2
96.95886	100.0
97.95808	0.3
137.02339	0.1
151.00270	0.2
153.01831	0.1
175.03882	0.1
178.99734	0.1
194.05823	0.2
209.00844	0.5
209.08066	0.1
217.05072	0.2
245.04063	0.2
246.04434	0.1
247.02422	0.2
261.03741	0.1
273.03085	0.1
274.03708	0.2
289.03555	0.7
289.11145	20.9
290.04025	0.1
290.11499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61931	0.1
59.01237	0.3
71.53458	0.3
72.99107	0.2
79.95614	1.1
90.37047	0.1
96.95887	100.0
97.95840	0.4
111.07243	0.1
209.00897	0.2
261.03992	0.2
289.11136	20.8
290.11523	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.13358	0.3
59.01244	1.0
59.99612	0.3
60.48197	0.3
69.36002	1.4
69.36429	1.0
71.01254	0.5
73.02805	0.3
97.06466	0.4
119.04876	0.4
125.06014	0.4
148.08829	1.6
150.10400	1.1
151.11166	0.8
162.24541	0.3
163.11154	1.4
165.12762	20.7
166.13095	1.5
175.11179	0.5
176.11952	0.7
177.12796	0.6
178.23462	0.3
191.14417	0.7
217.15962	0.6
245.18932	0.3
247.20625	10.3
248.21028	0.9
273.18582	6.1
274.19125	0.5
291.19659	100.0
292.19986	9.0
292.23309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08738	0.3
55.01759	0.6
56.48258	0.3
57.03318	0.5
59.01252	3.8
71.01279	0.5
71.04891	30.9
71.33394	0.4
72.05246	0.5
83.04896	0.6
95.04915	0.4
97.06466	9.8
111.08026	0.4
112.72742	0.3
119.08553	0.7
121.02793	0.5
121.10122	1.2
123.08026	0.5
125.09635	0.4
133.06448	0.7
139.11105	0.4
147.08057	0.5
163.14767	1.1
165.12724	0.9
167.10696	0.5
175.14844	0.8
181.12277	2.3
185.11769	1.1
191.01892	0.4
191.17905	0.4
193.12296	0.8
193.15834	0.4
195.13809	0.9
197.11838	0.4
207.13815	3.0
217.15869	0.8
219.13875	4.3
220.14207	0.5
235.16977	4.2
247.20715	2.4
248.21043	0.5
263.19919	0.3
273.18628	2.3
286.76511	0.4
291.19653	100.0
292.19980	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1653
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
59.01257	3.2
61.70521	0.7
69.32374	5.8
97.06467	1.3
102.04646	2.6
110.00820	0.8
115.05398	5.4
116.06422	0.7
117.06985	100.0
118.07314	4.0
119.08546	1.6
123.07991	1.0
125.09621	11.0
138.81894	0.8
143.04977	0.9
189.03481	0.7
208.55225	0.7
210.96048	0.7
243.17451	1.3
269.15399	1.0
287.16510	68.4
287.22162	2.7
288.16867	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2228
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
69.37142	2.6
98.20547	0.7
99.08057	2.6
109.06430	0.3
138.35553	0.3
141.12747	2.5
154.41777	0.3
169.69737	0.3
171.13754	0.4
175.92218	0.3
175.96146	0.3
239.20209	0.8
241.21686	1.5
269.21179	3.1
285.20764	2.1
287.22272	100.0
288.22623	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1606
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01239	0.8
66.59736	0.3
70.85154	0.4
70.85493	0.4
81.03327	1.2
82.55318	0.2
83.83237	0.2
92.04912	1.1
93.03335	1.7
101.53692	0.2
107.03629	0.5
108.02060	0.6
108.04429	5.4
109.02836	5.2
121.02815	0.6
121.80176	0.2
124.01522	0.4
134.02371	39.1
135.03188	8.0
136.03938	39.8
137.02371	1.8
137.04276	1.3
148.03943	1.0
149.04688	1.0
153.10307	0.3
176.03427	4.7
176.07018	0.3
177.04262	0.6
190.04968	0.7
204.06613	0.4
260.16565	0.3
288.16052	100.0
289.16284	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91382	0.4
56.97887	0.4
59.01235	0.4
67.25021	0.4
69.63284	2.8
93.06950	0.5
109.01054	2.0
119.08586	0.8
120.99544	100.0
121.99886	1.4
132.17264	0.4
137.09572	0.4
153.07347	15.6
165.98898	0.6
197.06354	11.6
198.06615	0.5
270.05295	0.7
284.26727	1.4
285.07681	1.5
285.20804	0.8
285.27139	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
51.49108	0.3
57.03312	0.6
58.96571	0.3
59.01245	1.0
61.36157	0.4
61.98685	0.4
64.90443	0.3
69.25399	3.3
71.04874	0.4
78.95734	0.5
83.46649	0.3
85.70942	0.3
97.06488	0.4
99.00698	0.4
110.02285	0.4
111.08020	0.9
113.09584	1.7
123.04393	0.4
123.08064	0.6
125.09575	0.6
127.11195	1.9
138.05829	0.3
141.09195	0.4
141.12700	0.6
155.10706	0.9
157.08661	0.3
165.45987	0.3
211.20581	0.8
221.19131	0.3
239.20030	1.8
249.10963	0.7
265.18253	0.4
267.19681	4.1
283.19189	1.4
285.04083	1.0
285.20706	100.0
286.21036	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
53.70145	0.3
59.01243	0.4
61.98703	0.5
70.02843	0.9
71.53973	0.4
74.05977	1.9
93.53744	0.3
96.30397	0.3
102.83065	0.2
107.78399	0.3
109.79449	0.3
109.99983	0.4
117.06986	7.6
118.04977	0.9
125.02360	0.4
125.09605	0.4
130.68527	0.2
222.07129	0.3
240.23326	2.9
242.21155	1.6
242.24969	0.4
243.17775	0.4
256.22690	0.4
268.22797	0.8
271.05667	0.8
284.22290	0.3
286.08029	1.2
286.23862	100.0
287.08243	0.3
287.16528	4.7
287.24265	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55896	0.2
60.12592	0.2
60.24642	0.2
70.44308	0.4
70.44672	0.4
79.95612	1.3
96.95888	100.0
97.95809	0.4
125.02329	0.3
287.09518	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.176
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
54.70607	1.4
57.03319	4.0
58.00469	2.3
59.01249	34.4
61.73447	1.5
69.03329	4.4
71.01256	7.8
71.04876	2.2
71.24315	3.0
72.47701	1.3
72.99119	1.3
73.02814	4.6
79.52885	1.3
83.04893	2.3
85.02843	2.2
89.02322	2.0
93.06986	1.9
95.04885	3.8
97.02830	2.3
97.06470	3.8
101.02334	4.0
106.63875	1.6
109.06473	4.0
111.07285	2.8
111.08041	41.6
113.02325	2.7
119.04861	1.9
121.10101	4.2
123.08015	4.0
125.05980	3.5
125.09615	14.1
127.07530	7.9
135.08057	1.5
137.09575	4.4
139.11211	4.8
141.09105	5.2
143.07068	9.4
143.51639	1.3
149.09631	5.2
150.79240	1.2
151.07581	3.2
153.09134	12.2
155.07033	4.8
155.10716	5.2
161.04489	2.4
165.09108	3.4
167.10583	2.2
169.08618	100.0
170.08922	3.6
171.10190	4.6
176.08377	1.4
183.10190	28.7
184.10619	1.9
193.08670	2.8
199.09689	2.7
201.16537	2.3
219.17558	4.5
226.08458	3.1
235.16924	10.4
237.15062	2.8
245.15320	2.0
263.16489	22.7
281.14438	2.6
281.17563	52.8
281.24710	5.5
282.17877	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1759
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
50.34355	2.2
50.64741	2.1
55.35875	2.1
57.03310	8.4
58.70358	2.2
59.01252	63.6
63.28943	2.4
67.01762	2.5
69.03329	8.2
71.01265	13.2
71.04889	21.6
71.20314	3.6
73.02802	4.6
79.75955	2.1
80.14115	2.0
81.03324	4.1
83.01287	2.0
83.04900	7.5
85.02834	7.9
85.06460	5.0
87.04391	5.3
89.02325	6.0
95.04908	4.3
97.02818	9.7
97.06468	11.2
101.02332	7.9
107.08511	4.0
109.06484	5.6
111.04344	2.8
111.08016	4.0
113.02315	6.1
119.03417	2.1
123.08040	5.8
125.02314	3.8
127.07555	2.5
135.04436	3.3
137.09636	5.5
139.07460	2.1
143.07024	3.8
147.11693	2.9
149.09621	7.1
151.11191	2.9
153.09239	2.1
155.10687	10.4
161.04468	9.4
161.13333	5.8
167.10693	65.7
168.11037	3.2
174.17049	2.2
181.12227	3.7
188.22884	2.3
189.12846	2.3
191.05479	6.4
193.12335	16.0
195.10184	3.7
195.13843	6.7
201.16432	9.6
205.12234	7.8
207.13892	2.6
209.15381	3.4
219.17516	8.6
223.13322	24.8
224.13713	2.0
237.14874	4.4
245.15489	3.8
263.13919	3.6
263.16544	51.4
264.16824	6.0
276.60284	2.0
281.07257	2.2
281.14423	5.3
281.17563	100.0
281.24615	15.1
282.17813	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0404
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.62204	0.2
59.01253	0.4
63.02264	1.2
65.00204	1.1
65.03831	0.2
68.99677	0.2
71.53963	0.3
79.01772	0.4
83.01263	0.8
91.01749	0.4
93.03342	2.9
95.01257	0.5
96.16715	0.2
101.18259	0.2
107.01266	1.8
108.02043	0.6
109.02809	1.1
109.99984	1.8
117.03351	1.0
119.01261	0.2
119.04946	0.3
121.02877	0.4
123.00771	0.7
123.04397	0.8
130.04146	0.3
131.04910	0.5
133.02869	0.5
135.00781	1.1
137.02333	0.7
137.99490	0.6
141.06964	0.4
143.04935	1.7
145.02861	1.1
145.06479	0.2
151.00246	1.5
154.04185	0.9
155.04893	0.6
155.14307	0.2
156.05705	0.4
156.99861	0.2
157.02913	0.3
157.06477	0.7
158.03506	0.2
159.04411	1.9
161.02348	0.7
163.00211	0.9
164.01114	0.4
165.01866	0.5
165.98982	1.2
167.04950	0.5
168.05618	0.4
169.01318	0.7
169.06548	1.2
171.04428	1.2
173.02373	0.8
181.42468	0.2
183.04440	0.4
184.05183	0.5
185.05998	2.2
186.06245	0.2
187.03954	2.1
189.05515	0.4
192.00572	0.3
195.04439	0.3
199.03818	0.4
201.05495	0.6
211.03944	1.1
212.04610	0.3
213.05553	1.5
214.02625	1.0
215.03456	0.7
219.02843	0.2
227.03473	0.8
228.03647	0.2
229.05043	1.9
229.08482	0.2
239.03485	1.6
240.04140	0.5
241.04991	0.5
243.02922	0.7
255.03027	0.7
257.04578	1.1
268.03616	0.4
270.05283	2.0
284.03265	0.3
284.26721	1.5
285.04047	100.0
285.20645	1.0
285.27127	0.5
286.04404	8.2
286.07681	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1759
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03309	2.8
59.01258	8.2
59.52219	1.2
66.93331	1.2
69.03324	2.2
69.89923	7.9
81.03357	1.2
93.03430	1.2
95.04926	1.9
97.02810	3.9
97.06494	1.4
98.20471	1.5
109.06474	2.7
111.08041	40.5
123.08044	3.1
125.09610	11.5
137.09660	2.8
139.11172	2.9
141.09122	4.9
151.07573	3.0
153.09119	4.9
155.10660	3.8
165.12758	2.4
169.08626	100.0
170.08963	4.0
171.10168	5.5
183.10191	12.7
197.11861	1.6
199.09700	6.1
201.16502	2.4
219.17488	6.4
226.08208	1.8
232.00426	1.3
235.16891	6.7
237.14804	1.7
263.16516	19.3
281.17557	37.5
282.18027	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1758
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03341	1.5
58.00464	2.2
59.01249	7.6
69.03323	5.2
70.53191	4.3
71.01269	1.7
72.67477	1.0
73.02831	1.6
75.23623	1.0
83.04895	1.7
90.02683	1.1
95.04902	2.9
97.06452	1.4
106.93926	1.3
108.70423	1.2
109.06470	3.0
111.08037	38.2
121.10099	1.8
123.08046	3.5
125.09621	13.1
127.07502	2.8
132.26495	1.1
137.09578	3.5
139.11157	4.3
141.09103	4.2
147.92973	1.1
148.24225	1.2
149.09598	2.1
151.07574	5.1
153.09091	5.0
155.10658	4.0
169.08612	100.0
170.08939	5.4
171.10220	5.6
183.10184	18.0
199.09715	4.1
201.16388	1.5
208.65025	1.3
219.17526	2.0
235.16986	10.2
237.14980	2.8
263.16473	14.6
281.17557	24.3
282.17947	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.176
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
55.01755	4.2
57.03320	6.2
59.01252	100.0
61.98695	1.8
69.03321	7.1
69.94892	8.7
71.01247	7.9
71.04902	2.3
80.02541	2.7
81.03327	4.7
83.01255	9.2
83.04893	25.9
85.02816	5.6
89.02326	4.2
90.01736	1.8
91.56834	2.0
93.03330	4.2
95.01266	2.3
95.04901	16.5
97.02837	2.6
97.06466	31.1
98.03609	6.6
99.08033	4.1
100.47020	2.0
101.02332	7.1
106.97388	1.9
109.06482	4.7
113.02328	5.6
113.09631	3.8
116.92747	2.4
119.04925	2.8
119.08529	2.6
121.02798	1.9
121.58929	2.1
123.04449	2.3
123.08074	4.3
127.11209	4.3
129.09085	2.7
133.06505	4.1
135.08037	6.3
135.65804	2.2
137.09604	13.9
139.07542	31.3
139.11180	20.6
152.98289	1.9
153.09171	3.3
155.03943	2.3
161.04587	4.1
163.07587	2.7
165.09111	5.3
165.12766	57.2
166.13077	2.8
167.10696	7.6
177.12752	2.5
181.08624	31.8
183.10245	3.1
183.13846	49.2
184.14142	2.5
191.14345	6.4
197.08093	2.0
197.96242	2.0
201.16353	2.4
209.15338	2.1
219.17493	82.1
220.17859	4.9
231.76691	2.1
237.18597	10.1
245.15324	3.2
263.16522	23.2
279.15118	2.1
281.12460	2.0
281.14471	4.4
281.17593	47.7
281.24713	21.2
282.01617	2.5
282.18002	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
70.66170	0.7
71.10192	1.2
82.94276	0.6
85.52387	0.7
87.71832	0.8
113.85921	0.7
130.93636	0.6
178.03218	0.7
256.11334	0.6
279.23282	100.0
280.23605	11.5
303.76721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44500	0.3
52.35329	0.3
57.03046	0.5
57.03323	8.6
59.01251	22.6
60.01595	0.3
63.13034	0.3
69.66888	1.9
70.56060	0.3
71.01258	0.8
119.08553	7.3
121.06466	2.5
137.09621	44.7
138.09946	1.8
149.09601	1.3
149.13071	0.4
151.11162	0.6
159.79175	0.3
161.09613	2.6
167.14293	0.6
175.11232	0.4
177.12755	7.4
178.13080	0.4
178.19141	0.3
193.12128	0.4
221.11780	6.6
222.12042	0.7
239.12859	100.0
240.13164	6.4
281.13947	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1394
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01737	1.6
57.03312	14.0
59.01252	16.2
65.03831	3.3
71.01240	6.2
71.52791	2.5
73.02798	1.5
75.03862	1.5
75.90574	1.8
83.04887	16.1
83.93149	1.5
85.02822	3.2
87.00742	16.5
89.02312	1.8
95.04893	4.2
97.02810	1.9
101.02315	2.6
111.04377	4.2
111.08019	4.6
113.02305	3.7
113.05978	1.9
116.38737	1.8
119.04848	1.9
121.06466	8.3
123.08044	30.7
124.05150	2.5
134.03621	1.8
135.08133	1.7
137.05969	2.5
137.09596	3.3
139.07539	5.6
145.10144	3.7
149.09541	1.7
151.07504	3.6
153.09129	5.9
163.11230	2.1
169.10152	4.4
171.11703	35.9
172.12050	1.6
189.12750	13.2
192.86261	1.4
193.04941	4.2
201.12791	14.9
207.13864	7.0
219.13829	6.3
232.95264	1.4
237.14903	55.4
238.15289	5.7
263.52771	1.4
268.20700	1.8
281.13943	100.0
281.24786	6.9
282.14236	6.3
293.67532	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1758
Annotation	Fumagillol
Peak:m/z	Relative Intensity
55.01752	3.3
57.03316	15.8
58.00467	5.5
59.01249	66.6
60.97795	3.0
69.03319	20.4
71.01263	14.2
71.04887	29.9
71.52812	3.8
73.02808	13.9
79.51075	2.6
80.84419	3.1
81.03358	2.9
83.04907	12.9
85.02799	6.3
87.04393	11.0
93.03333	3.0
95.04900	6.1
97.06469	25.8
99.04408	3.8
101.02318	7.1
106.17114	2.6
107.08547	5.3
109.06480	8.2
111.04392	3.4
111.08030	42.4
113.09605	2.9
119.08559	8.1
121.10118	3.6
123.08033	12.7
125.05972	9.1
125.09604	22.5
127.07548	5.5
133.06590	3.5
135.39938	2.6
137.09616	26.4
139.07576	9.1
141.09108	8.4
142.89989	3.0
143.07027	64.9
143.08134	4.1
147.11714	6.8
153.09117	5.2
155.07037	31.1
157.08614	15.1
161.04468	4.3
161.13257	8.8
163.11200	7.1
165.12717	3.0
167.10678	10.7
169.08603	53.2
171.10291	3.7
177.12849	6.4
179.10634	3.0
179.14297	8.1
181.12257	100.0
182.12598	3.6
183.10220	9.7
185.08121	10.8
193.12292	18.5
195.13857	37.7
201.16423	14.7
205.12289	19.5
209.11922	4.4
211.13370	14.2
219.17503	10.4
223.13350	80.0
224.13602	3.6
235.17033	4.6
237.14905	4.4
245.15312	7.0
245.75670	2.7
258.21426	3.8
263.16507	69.4
264.16891	6.3
281.14450	5.6
281.17563	78.9
281.24780	10.9
282.17886	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1602
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
50.36349	2.0
57.03315	7.5
59.01251	56.5
67.01743	3.3
69.03310	3.8
71.01254	10.1
73.02803	4.6
81.03316	6.9
83.01263	3.1
83.04897	8.6
84.08472	2.0
85.02829	3.4
89.02277	3.0
95.01266	3.4
95.04891	19.4
97.02831	23.0
97.06462	25.6
99.04408	2.8
101.02315	4.4
106.04144	3.1
109.06470	6.3
111.04463	2.7
113.05977	5.6
123.04410	6.1
124.05193	2.7
125.05923	2.7
133.06485	7.5
135.08043	9.9
137.09637	13.7
139.07552	8.1
149.05975	2.7
149.09651	6.2
151.07520	5.7
152.84993	2.3
153.09145	4.9
161.09587	3.4
163.07532	5.6
163.11194	25.6
165.09074	3.2
175.11168	3.8
181.08612	8.7
181.12242	10.4
183.10211	2.2
189.12799	7.3
195.36269	2.5
197.08115	3.7
199.14835	3.4
217.15924	100.0
218.16232	7.6
235.16966	6.3
261.14941	32.3
279.16006	35.6
279.23279	59.8
279.26376	2.7
280.23514	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1602
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
50.11462	1.0
54.00787	1.0
57.03324	9.2
57.34253	1.0
59.01249	54.0
64.04720	1.1
67.01768	1.8
69.03327	6.1
69.78194	6.8
71.01243	3.9
71.04884	1.7
80.02518	1.7
81.03328	5.8
83.01254	3.7
83.04896	11.7
85.02817	2.7
89.02286	1.4
92.30251	1.1
93.03335	1.0
95.01233	1.3
95.04902	20.4
97.02826	23.1
97.06464	30.3
98.03642	2.8
98.06851	1.2
98.20592	1.2
99.04394	1.5
101.02310	2.6
106.04100	2.1
107.04898	3.2
108.02072	2.0
109.06465	4.3
110.03651	1.2
111.08034	1.9
113.05972	2.9
113.09552	2.3
118.95415	1.1
119.08545	1.9
121.06496	2.6
121.10108	4.0
123.04410	10.0
123.08033	2.6
124.05165	1.9
125.05963	2.0
125.09611	1.5
131.04936	2.7
133.06516	7.8
135.08047	12.9
137.09602	17.5
139.07536	11.1
139.11226	1.5
142.02632	1.9
143.07011	1.6
145.06506	1.7
147.08057	2.2
149.05971	2.4
149.09659	7.9
151.07544	4.5
153.09090	4.9
157.08588	2.8
161.09639	2.1
163.07567	8.1
163.09818	2.0
163.11195	35.9
164.11458	1.9
165.09102	2.4
175.11194	3.4
179.07014	1.1
181.08621	9.5
181.12230	11.5
183.48845	1.1
187.11208	1.8
189.12782	5.8
197.08151	5.6
199.14897	4.1
201.12753	1.7
215.14297	1.5
217.15923	100.0
218.16232	6.9
235.16997	4.5
243.13942	2.2
261.14963	30.5
262.15292	1.8
279.16049	22.6
279.23248	53.0
280.16342	1.4
280.23605	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1602
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
54.87998	2.7
57.03312	9.2
59.01255	30.8
59.44343	2.5
64.91503	3.2
65.33385	2.9
69.03318	5.0
71.01233	22.0
71.53511	5.4
72.99169	3.3
75.00765	3.2
76.82442	3.0
80.02532	3.2
83.04892	15.1
85.02801	5.8
87.22812	2.6
89.02299	3.4
90.50050	3.0
95.04891	6.3
96.96091	2.6
97.06467	11.6
101.02322	8.2
102.38522	3.1
107.04906	3.3
109.06464	8.3
113.02325	5.2
121.06467	5.3
123.08035	22.1
125.09570	9.2
135.08054	4.9
137.02328	4.5
137.05933	3.8
137.09613	10.1
140.30354	2.7
149.09540	3.0
151.07510	5.4
153.09044	10.1
155.10663	7.5
163.07549	13.2
163.11203	9.4
167.10703	4.0
181.08553	16.3
181.12346	13.5
191.14394	4.0
191.23981	2.7
210.90529	3.0
217.15953	34.5
235.16957	14.7
261.14877	8.1
261.17877	2.8
279.08789	3.3
279.16043	36.0
279.19904	5.0
279.23251	100.0
280.23532	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2015
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
59.01250	10.8
66.31467	1.3
67.19075	1.2
70.72315	1.1
71.01218	2.0
74.77110	1.3
85.02834	1.8
90.05881	1.3
99.27471	1.2
114.20119	1.3
118.04417	1.2
120.76736	1.5
134.03618	1.7
147.04439	2.8
177.16389	3.2
197.15465	1.3
231.17578	1.3
231.21130	14.2
232.10579	1.4
275.09186	1.6
275.17117	3.5
275.20135	100.0
276.20480	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
51.28251	0.4
52.57348	0.4
54.35248	0.5
54.63782	0.4
59.01310	4.3
59.88697	0.5
60.97439	0.9
71.01297	0.7
73.02853	0.4
85.02866	0.5
90.48954	0.5
103.02162	0.6
111.85680	0.5
121.03146	4.2
127.53306	0.5
146.99341	0.8
147.08376	5.0
147.09320	0.5
165.00368	12.4
180.99876	1.6
189.04036	1.9
191.05579	11.5
205.07167	1.2
205.15965	1.2
207.05116	1.3
210.97803	0.5
217.07101	1.0
225.86572	0.5
231.08701	1.5
233.10298	100.0
234.10458	8.9
259.15469	1.2
259.21127	0.4
277.16550	79.4
277.21561	48.7
278.16678	8.8
278.21783	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21307	0.2
59.01252	4.1
61.18261	0.2
66.68077	0.2
69.23038	1.8
69.23443	0.4
71.01241	0.6
71.57021	0.2
73.02860	0.2
79.36035	0.2
79.95557	0.3
83.04877	0.3
98.19815	0.3
107.04922	0.3
127.07564	0.3
205.15953	0.5
205.19392	0.2
218.85124	0.2
233.22728	0.5
259.20724	0.4
275.20255	0.3
277.18451	5.0
277.21707	100.0
278.18781	0.3
278.22061	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01242	1.1
60.29671	0.3
61.20481	0.3
66.09027	0.3
88.55550	0.3
107.47703	0.3
122.70912	0.3
156.67140	0.3
233.22748	0.6
259.20755	0.4
277.21716	100.0
278.22073	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1601
Annotation	brefeldin A
Peak:m/z	Relative Intensity
52.74274	1.3
55.01758	1.5
57.03321	2.9
59.01251	13.8
65.03825	1.5
69.03323	1.8
71.01231	6.5
71.04887	13.5
71.53528	1.4
73.02802	2.6
78.97479	1.3
80.02567	3.1
81.03330	7.2
83.04900	7.0
85.02819	3.4
89.02298	1.5
95.04907	9.7
96.95889	2.3
97.02837	2.0
97.06487	6.9
98.03603	5.2
101.02290	2.4
102.58494	1.3
107.04926	2.5
109.02812	1.5
109.06469	35.7
111.00761	3.8
111.04401	23.2
111.08050	3.1
112.05192	3.8
113.02335	1.9
115.07529	1.8
121.06483	6.1
123.04449	2.2
123.08020	5.8
125.06021	1.7
127.07540	14.0
135.04279	1.8
135.08022	5.6
137.05968	1.8
137.09572	1.4
139.07590	2.3
145.06447	3.0
149.09621	4.8
151.07523	1.6
157.08592	2.1
161.04436	1.8
161.09605	1.6
163.11177	21.8
164.11578	1.7
167.10774	1.9
174.93317	1.4
179.10683	1.5
179.14272	5.2
189.12776	2.5
207.10129	6.6
217.15927	46.8
218.16325	4.1
223.13307	4.4
235.13344	2.3
235.17047	2.8
243.13838	2.9
259.13318	2.1
261.14948	100.0
262.15295	7.6
279.08969	2.2
279.12436	6.1
279.16006	29.4
279.23267	39.6
280.16452	2.4
280.23566	3.8
300.55002	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2121
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
57.03317	0.5
58.05312	0.2
59.01256	0.3
64.29656	0.2
68.56033	0.2
70.09897	0.5
70.10291	0.5
71.01270	0.3
71.04888	0.3
72.78394	0.2
80.90010	0.2
83.04897	0.2
83.08403	0.2
83.53243	0.2
93.05801	0.2
95.04905	0.2
97.06474	1.5
99.08041	3.9
113.09593	2.2
119.39695	0.2
123.08060	0.3
125.05953	1.0
141.09113	0.4
143.07039	4.3
149.74619	0.2
153.12766	0.9
156.07896	0.2
164.33356	0.2
223.20654	0.8
251.20123	1.0
267.19656	1.6
269.04562	0.9
269.21213	100.0
270.21567	7.7
270.24365	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0238
Annotation	QUINALIZARIN
Peak:m/z	Relative Intensity
59.01242	0.1
65.00191	0.2
66.63779	0.1
71.53490	0.1
91.01755	0.3
96.95879	0.1
107.01270	0.3
108.02051	0.3
109.02853	0.3
115.05419	0.2
124.01495	0.1
125.02319	0.2
127.05438	0.4
131.04912	0.2
133.02847	0.3
135.00774	0.2
143.04910	1.3
145.02824	0.2
145.06424	0.1
147.04398	0.1
151.00281	0.2
153.03333	0.1
154.04163	0.2
155.04935	1.1
156.05260	0.1
157.02864	0.8
159.04428	0.7
161.05991	0.1
163.03885	0.4
169.02837	0.2
170.03633	0.2
171.04422	3.1
172.04829	0.2
173.02350	0.8
174.03044	0.1
175.03958	0.4
178.99759	0.1
182.03638	0.4
183.04445	0.9
185.02390	0.6
186.03102	0.1
187.03928	1.3
188.04219	0.1
189.05600	0.1
193.88733	0.1
197.02367	0.6
198.03136	0.9
199.03926	5.5
200.01039	0.3
200.04301	0.3
201.01892	1.3
202.02547	0.6
203.01559	0.2
203.03441	2.4
204.03778	0.2
210.03011	0.1
211.03909	0.3
213.01799	0.2
214.02657	0.4
215.03444	6.4
216.03778	0.5
225.01923	0.4
226.02658	0.9
227.03441	7.6
228.00475	0.1
228.03922	0.6
229.01378	3.2
230.01842	0.2
241.01381	0.2
242.02138	1.9
243.02948	8.5
244.03409	0.6
253.01352	0.3
254.02074	0.4
255.02972	3.6
256.03751	0.3
269.00888	0.1
270.01602	0.4
271.02466	100.0
272.02954	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01747	0.7
83.04884	0.4
83.62404	0.5
104.63795	0.5
108.02039	1.3
109.02863	0.8
120.14136	0.5
125.02324	2.3
197.19035	1.1
221.19135	0.8
223.20644	4.8
223.41957	0.5
225.22186	64.3
226.22525	4.7
253.21700	1.8
271.06198	0.6
271.22781	100.0
272.23138	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0926
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
55.32530	0.6
57.42163	0.6
59.19555	0.5
68.69382	0.7
69.36386	2.8
69.36813	2.6
72.16918	0.6
75.86083	0.6
79.81497	0.6
85.02812	0.8
105.03358	1.1
117.03324	1.1
130.04091	1.3
133.02817	2.3
134.03653	5.9
135.04431	1.0
145.02890	0.9
146.03638	2.1
146.53554	0.6
151.07538	0.7
158.03654	2.5
159.04417	7.2
161.02339	1.6
162.03120	2.7
172.05199	12.4
173.05981	11.6
174.03148	0.8
174.06650	2.5
183.04420	1.5
184.05180	0.8
185.05978	0.8
187.04039	6.7
187.07570	100.0
188.07906	6.0
197.05891	1.2
198.06895	0.9
201.05504	11.8
202.06284	21.6
203.06670	1.2
203.10747	1.7
204.04259	2.5
213.09140	9.8
214.09464	0.7
215.07149	1.2
216.07809	0.7
227.48692	0.6
231.10213	33.9
232.10590	2.5
257.12900	2.7
275.09241	14.5
276.09521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	0.8
57.37132	0.4
59.01247	3.3
69.03330	0.5
71.01247	3.6
73.02804	1.1
78.53535	0.4
85.02813	1.3
89.02322	1.1
97.06468	3.5
98.20583	0.7
99.08028	2.9
101.02313	2.2
113.02319	1.0
113.09595	1.2
119.03352	0.6
121.02864	0.6
125.05983	1.9
126.89114	0.5
133.49088	0.4
143.07034	39.3
144.07385	1.0
150.03070	0.5
161.04475	0.9
167.76425	0.4
188.45241	0.4
195.13766	0.7
249.18558	6.1
261.53583	0.5
265.18060	1.0
267.10782	1.4
267.19632	100.0
268.19958	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1295
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
58.43072	0.3
59.01256	0.8
62.96273	0.5
67.57245	0.3
71.01240	0.4
71.04898	0.5
71.53129	0.6
89.02283	0.3
90.89265	0.3
93.16360	0.3
94.02882	0.7
108.08058	0.4
117.03404	0.7
120.04443	2.6
134.06000	1.1
136.07562	0.9
137.52153	0.3
174.07944	0.5
186.95540	0.8
198.12798	0.6
203.89059	0.3
211.08698	3.1
212.05865	0.4
213.10213	0.4
224.05879	0.5
225.06627	0.6
225.10268	5.3
226.12666	1.7
238.07426	0.4
239.08229	4.1
239.11784	0.4
240.08742	0.4
241.13490	4.0
251.12016	0.7
252.27542	0.3
253.09753	3.3
254.06119	0.5
254.10567	8.5
255.10947	0.4
269.05042	2.4
269.12946	100.0
269.21210	11.1
269.24789	2.6
270.13278	8.8
270.21591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1964
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
57.03337	0.7
59.01253	11.6
62.08134	0.7
63.53797	0.7
70.44167	1.4
70.44509	1.2
71.01258	3.4
73.02820	0.9
83.04903	1.1
85.02828	1.3
89.02314	1.1
93.65170	0.6
95.91786	0.7
101.02328	2.8
113.02354	1.1
113.09625	1.7
113.54988	0.7
149.09608	3.1
156.33676	0.7
161.04446	1.2
167.10686	49.4
168.11053	2.0
169.56920	0.7
205.19557	1.7
231.17497	0.8
245.97293	0.6
249.18568	31.7
250.18918	2.7
259.92581	0.7
267.19647	100.0
268.20007	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52002	0.5
54.78794	0.5
55.01740	0.6
57.03322	4.8
58.32225	0.6
59.01251	7.6
65.08099	0.6
69.03336	0.9
71.01247	5.3
73.02816	1.0
82.61196	0.6
83.01254	0.8
83.04900	0.6
85.02825	2.6
85.06451	0.7
89.02321	2.0
92.35108	0.6
95.01278	0.8
95.04906	2.3
97.06469	11.1
99.00784	0.7
99.08019	1.7
101.02319	4.0
113.02337	2.0
113.09595	7.4
117.28167	0.6
121.02817	0.6
125.05981	1.7
127.07567	1.0
132.70837	0.6
143.07040	39.7
144.07387	1.4
151.11172	1.6
152.44316	0.7
155.07034	1.5
161.04449	1.8
167.10654	0.7
169.12238	0.9
186.50137	0.6
192.60434	0.5
223.20638	1.7
248.43472	0.6
249.18564	39.6
250.19057	2.7
267.19641	100.0
268.19955	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1808
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
54.03443	0.5
57.03325	5.3
59.01244	4.2
62.60561	0.4
69.03334	1.0
70.39411	1.4
70.61684	0.5
71.01226	0.6
72.08999	0.5
83.04906	0.7
85.06483	0.6
95.04892	3.5
97.06466	18.8
97.53648	0.4
98.15886	0.5
98.19885	0.7
105.47018	0.6
111.08071	0.6
113.09603	13.9
121.10105	0.6
139.07509	2.6
139.11148	1.4
139.98640	0.5
143.07047	0.8
149.09605	4.3
155.10667	1.1
157.08611	11.7
167.10724	1.4
169.08624	4.1
203.17999	1.0
216.69791	0.5
221.19083	2.5
247.16977	4.3
265.18076	100.0
266.18427	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1601
Annotation	Helibisabonol A
Peak:m/z	Relative Intensity
53.81422	0.6
54.03589	0.5
54.76588	0.7
54.94468	0.7
55.01752	0.6
57.03334	4.1
57.03559	0.6
59.01255	5.7
59.98388	0.9
63.58114	0.7
69.03324	8.0
69.52770	1.4
69.53182	4.5
71.01253	4.9
73.02814	2.8
81.06977	1.4
83.01279	1.1
83.04881	2.3
85.02811	2.7
87.04384	0.9
89.02306	2.9
90.22239	0.7
95.04910	1.9
97.02809	0.7
98.19897	0.9
99.04388	2.8
101.02330	4.5
101.02917	0.7
105.05479	0.7
113.02328	3.0
113.05978	1.6
119.03361	1.1
133.10115	0.9
135.08086	1.3
135.11696	2.0
137.09648	1.4
153.09138	11.4
154.09453	1.3
161.04453	2.6
161.09607	1.0
179.10699	35.5
180.10954	1.6
249.14926	4.7
252.04068	1.0
267.11078	2.7
267.16013	100.0
268.16418	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61007	0.6
57.03327	3.4
59.01245	10.6
62.04706	0.5
67.01746	1.5
69.03324	1.4
69.28136	5.8
71.01255	1.8
81.03314	0.9
83.04896	2.7
85.02847	0.9
90.76775	0.6
93.03331	1.7
95.04891	5.2
98.20629	1.0
111.08039	40.6
112.08382	1.5
113.02326	0.7
123.08034	2.4
125.09634	0.7
129.47554	0.6
137.09616	8.9
147.07985	0.9
149.09608	12.3
151.11166	1.7
161.09608	1.1
163.11075	0.9
165.12756	1.8
167.10674	4.7
183.45241	0.6
202.08589	0.6
219.03195	0.7
219.17484	20.2
220.17853	1.0
245.15347	3.0
263.09152	1.6
263.16507	100.0
264.16864	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1808
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
57.03303	2.2
59.01253	19.9
67.39896	1.2
70.44890	3.7
71.01241	3.8
71.04900	11.7
72.03844	1.1
83.04878	2.8
86.90823	1.2
101.02261	1.8
104.92915	1.1
135.04430	1.6
135.11742	2.1
140.46738	1.1
149.13271	3.3
163.14809	5.1
164.57306	1.3
167.28740	1.2
171.85179	1.1
179.11795	1.1
181.12315	1.2
183.33461	1.3
186.34555	1.5
189.12624	1.4
192.44119	1.2
193.12248	1.4
203.17987	14.1
205.12157	1.9
207.13837	88.3
208.14214	6.5
221.18913	1.5
229.15826	1.8
247.17009	65.5
248.17403	8.0
265.18069	100.0
266.18408	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1808
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
50.23126	1.4
57.03310	2.8
57.56935	1.7
59.01246	6.2
66.40319	1.5
67.93636	1.5
70.54707	4.0
70.55062	3.0
78.95826	1.9
95.04889	2.9
97.06465	12.7
99.08026	2.8
113.09561	2.2
121.10125	53.2
122.10408	3.3
124.44360	1.4
125.05960	4.4
143.07043	78.8
149.09607	4.9
157.08569	3.7
160.71393	1.7
167.10707	23.3
184.96127	1.6
195.10210	5.3
203.17970	10.0
247.17023	58.8
248.17322	4.6
265.18085	100.0
266.18469	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1652
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
59.01250	24.9
66.07362	0.5
70.82272	1.3
71.01267	0.6
85.02828	0.7
92.37767	0.5
95.04920	0.6
97.06435	0.6
113.28844	0.5
119.04917	0.8
120.05701	0.9
135.08032	0.8
145.82933	0.5
147.08089	1.2
148.08824	3.8
149.09595	1.5
150.10449	0.5
151.11160	1.9
163.11168	6.6
165.12758	34.5
166.13121	2.4
189.05641	0.5
189.12750	2.6
191.14333	12.6
192.14622	1.0
204.11206	0.5
217.15965	0.9
219.17476	11.8
220.17870	1.2
227.14436	1.5
245.15411	4.9
247.38409	0.5
263.16504	100.0
264.14099	1.0
264.16800	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18683	0.5
57.03331	3.4
59.01251	8.8
68.44199	0.5
69.03316	1.2
69.92405	0.5
70.07396	1.1
70.07786	1.2
71.01231	0.5
73.02819	0.7
81.03294	0.6
83.04880	1.9
85.02826	0.5
93.03298	0.6
93.06968	1.3
95.04905	8.5
97.06467	28.8
98.06772	0.6
98.19898	0.6
109.06415	0.6
111.08024	1.5
113.02311	0.5
113.09586	3.4
119.08537	0.8
121.09289	1.1
121.10120	19.0
122.10478	1.0
139.07542	3.2
141.05475	1.0
147.08073	7.2
149.09627	0.8
157.08606	12.4
160.76021	0.5
165.12762	4.5
166.13121	0.6
169.08641	3.8
181.08604	1.6
183.10178	1.6
191.14339	1.1
195.10147	1.1
201.16418	2.2
209.55814	0.5
219.10199	1.0
219.17493	4.7
220.17793	0.8
245.15373	3.4
263.16504	100.0
264.16879	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00749	0.9
59.01252	100.0
60.01588	1.0
69.27039	0.9
69.49247	1.6
69.49652	5.8
71.01265	1.4
73.02818	1.1
91.77328	0.9
118.97476	1.1
120.15157	0.9
122.16330	0.9
127.21829	0.9
128.18935	0.9
151.07579	1.0
205.52879	0.9
219.13834	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37427	1.0
55.01756	2.0
57.03309	1.5
59.01250	16.5
69.03321	1.6
69.84260	6.8
71.01266	2.1
71.04890	83.9
83.04887	2.1
85.02798	1.4
89.02281	1.1
90.05061	0.9
93.06885	1.2
97.05881	2.4
97.06464	28.4
101.02317	2.4
107.04951	1.2
109.06443	1.4
111.08073	2.0
113.02327	1.5
123.08041	4.7
133.89005	1.3
135.11655	5.8
147.11708	2.2
153.09053	1.6
163.59895	1.1
165.09189	1.4
165.12787	2.5
175.03958	1.5
179.10645	3.5
185.11879	1.2
191.10675	8.8
191.14352	1.3
206.09396	2.6
207.13811	3.2
211.87450	1.3
219.17470	13.3
220.17754	1.8
245.15359	1.9
263.09235	3.3
263.16501	100.0
264.16827	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	9.8
69.03326	5.9
71.08624	4.4
71.08936	5.3
75.10344	3.3
78.95765	7.7
83.04891	8.9
96.95836	6.0
96.96813	3.4
116.97133	3.3
135.04456	4.0
157.95456	3.6
163.11130	6.0
172.68959	3.6
173.17123	3.4
180.81935	3.5
194.05949	4.4
209.11766	100.0
210.12080	6.7
227.12820	7.5
259.06168	7.3
259.09717	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17282	1.3
59.01252	100.0
59.22493	1.2
60.01585	1.4
70.77271	1.3
72.62309	1.3
72.82016	1.2
73.02832	1.8
87.88741	1.5
90.22270	1.5
124.05138	1.7
127.06302	1.3
135.04433	1.4
147.21274	1.4
179.59477	1.5
251.08180	1.4
274.64664	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01538	1.1
53.28965	1.0
56.29710	1.1
59.01252	100.0
71.01241	1.8
71.14758	2.2
73.02804	2.0
77.74635	1.1
92.16062	1.0
188.90588	1.2
219.13708	1.4
259.98544	1.0
263.09323	1.4
263.16519	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2171
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
59.01243	71.3
71.01236	29.5
89.02304	31.8
95.77591	20.7
96.21914	20.5
97.38499	16.7
99.14563	18.3
101.02340	28.3
106.22003	16.8
134.89375	18.4
187.85635	19.1
194.75368	19.3
253.09186	42.4
253.21698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0224
Annotation	6-H2PO3Manalpha
Peak:m/z	Relative Intensity
52.62886	1.3
53.59255	1.2
59.01250	1.9
68.54140	1.5
68.93820	1.1
70.54510	4.4
71.01267	4.4
72.99178	1.4
73.02844	1.4
78.95775	100.0
79.58418	1.2
81.08408	1.2
85.02831	1.9
87.00762	2.5
96.95940	6.9
96.96841	72.3
98.19918	1.4
99.00723	3.4
103.10335	1.2
108.90087	4.2
110.89821	3.0
111.00748	3.8
112.98713	11.5
122.89350	1.9
129.01805	2.9
138.97000	1.6
138.97948	4.8
145.01306	1.3
159.86002	1.5
168.99046	1.6
173.00717	2.2
204.55482	1.6
241.01231	3.2
259.02249	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1493
Annotation	Sch 601254
Peak:m/z	Relative Intensity
55.62230	1.1
59.01253	12.6
61.96448	1.4
61.98693	2.4
69.02962	2.2
69.03326	37.0
69.27666	13.3
71.01266	1.6
71.04890	1.7
83.04893	3.9
85.02790	1.2
93.03339	1.7
95.04893	4.0
96.35475	1.3
97.06453	4.3
98.20500	2.6
100.31938	1.4
101.02311	2.9
109.06510	1.7
111.08046	1.7
117.03339	1.4
119.04939	1.7
121.02862	1.9
121.06451	1.6
147.95317	1.0
149.13257	2.5
161.13278	1.3
167.10669	2.2
171.10190	1.8
175.39458	1.3
179.10622	1.8
187.14847	3.3
189.22960	1.3
193.12279	6.3
205.05244	1.4
205.08638	2.2
205.12309	12.1
205.15897	14.5
206.16257	1.4
221.15422	21.5
231.13861	35.9
231.16158	2.0
232.14177	2.5
249.07706	5.2
249.14932	100.0
250.14748	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30304	0.1
57.03307	0.2
59.00952	0.3
59.01248	4.7
69.03318	0.2
70.90849	0.1
71.01258	0.5
71.53865	0.3
79.71900	0.1
83.04889	0.9
95.04922	0.1
97.06509	0.3
127.11187	0.2
168.36954	0.1
168.60033	0.1
177.16371	0.5
205.19554	2.0
231.17517	1.6
232.17953	0.1
247.17023	0.5
249.18568	100.0
250.14484	0.9
250.18904	11.4
263.34937	0.1
264.32056	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69447	0.3
57.03315	0.4
59.01249	5.9
61.98699	0.8
71.01237	1.1
71.44627	0.4
79.95613	0.5
83.04890	0.4
85.02825	0.5
87.04424	0.4
101.02350	0.4
146.76883	0.3
147.04436	0.4
168.81775	0.4
182.35318	0.4
187.14870	0.3
200.65421	0.4
205.15913	1.5
205.19559	2.0
231.17508	1.4
247.16985	0.8
249.07776	1.4
249.14958	4.0
249.18571	100.0
250.14543	5.9
250.18881	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01249	4.8
62.50611	0.8
71.01601	0.8
71.01926	0.8
139.88083	0.7
156.41629	0.7
166.81351	0.7
177.16435	0.9
205.19510	1.9
225.73029	0.7
231.17535	2.4
239.08160	0.8
249.18567	100.0
250.18929	12.7
257.98596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2013
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
52.85449	0.3
56.75463	0.3
59.01245	2.4
63.18415	0.3
67.83475	0.3
69.87907	0.3
70.82407	0.8
71.01255	0.5
83.04903	0.3
97.61926	0.3
101.02367	0.4
113.02341	0.4
125.02367	0.3
170.16611	0.3
199.94249	0.3
223.13295	0.3
233.19122	1.3
251.20139	100.0
252.20482	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2014
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
53.08988	0.3
55.44158	0.3
59.01249	1.8
62.45564	0.3
70.82288	0.9
71.01241	0.5
95.38827	0.3
97.72558	0.3
130.97752	0.3
233.19052	1.2
251.20128	100.0
252.20480	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28458	0.2
52.49864	0.2
57.03307	0.4
58.00481	0.3
59.01252	7.7
71.01255	4.2
71.33764	0.4
72.99184	0.5
73.02806	0.6
74.94506	0.2
76.92291	0.2
79.95607	100.0
80.95525	0.4
80.96394	0.8
81.43076	0.2
83.01255	0.5
83.27133	0.3
85.02827	1.2
87.00780	0.5
89.02316	3.4
95.01282	0.5
97.02811	0.3
97.45375	0.3
98.99061	0.2
99.00784	0.3
101.02328	3.8
105.21463	0.3
111.08055	0.3
113.02328	1.8
119.03377	1.3
121.02799	0.4
125.02306	0.2
126.12773	0.5
129.46906	0.3
141.05499	0.7
143.03427	0.3
147.94153	0.2
148.84337	0.2
160.11575	0.5
161.04503	1.5
179.05547	0.8
182.68703	0.2
188.11063	8.7
189.11386	0.6
193.12512	0.3
204.18068	0.2
214.32906	0.2
252.07306	35.6
253.07332	1.8
253.09668	3.5
253.14371	0.8
253.21724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.118
Annotation	Lagopodin A
Peak:m/z	Relative Intensity
53.90337	0.6
59.01254	1.8
61.98716	1.2
66.14836	0.7
93.03307	0.8
98.20559	1.7
117.03346	24.6
118.03605	0.9
119.04917	100.0
120.05257	5.8
121.02840	6.7
123.04427	1.6
132.05763	0.8
133.02872	1.4
145.02855	44.3
146.03166	3.3
147.04446	0.9
162.03117	0.9
163.03917	49.5
164.04263	2.9
174.03127	1.3
175.03943	0.8
206.02124	1.4
235.20772	0.7
245.04546	2.2
245.08229	5.7
245.11806	88.3
245.18944	5.8
246.08264	1.4
246.12137	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1391
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
57.03300	2.7
59.01238	2.1
70.86787	1.8
70.87137	0.8
71.04857	1.7
73.02822	1.0
83.04879	2.6
84.99756	0.7
97.06467	1.3
99.00723	1.0
111.08029	3.7
125.09510	1.0
155.14351	2.3
165.12752	20.2
166.13075	1.6
174.03069	1.0
176.02820	0.8
183.13818	21.8
184.14200	0.9
198.94788	0.9
199.13345	1.4
201.14873	9.6
206.02159	0.9
207.10211	1.0
209.11771	11.1
210.12085	1.5
225.11339	1.5
227.12830	56.4
228.13174	5.4
243.12294	0.8
245.08502	4.2
245.13898	100.0
246.14229	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1701
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
57.34949	0.1
59.01249	0.2
59.14621	0.1
59.34882	0.1
66.76968	0.1
71.01254	0.7
71.33324	0.3
83.63339	0.1
85.02791	0.2
88.08551	0.1
102.16000	0.2
103.03881	0.3
106.88237	0.1
146.06560	0.2
184.00099	1.1
203.11043	0.2
205.15852	0.4
207.50826	0.1
217.50981	0.2
220.16969	0.3
220.75766	0.2
231.13878	0.4
247.16995	100.0
248.07806	1.1
248.17343	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.17
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	21.9
69.03333	0.8
69.99564	4.0
71.01250	9.1
72.99193	1.1
79.55854	0.7
83.04878	1.5
85.02818	1.0
103.03892	1.9
105.96113	0.8
109.06527	1.2
111.08034	1.5
119.04942	0.9
121.02867	1.0
121.10132	1.7
130.17889	0.7
132.98048	0.8
135.11734	0.8
148.04771	0.8
149.13240	9.8
157.04874	0.9
161.13275	1.1
173.08070	0.8
175.07506	1.0
175.14830	2.9
176.15060	0.9
190.09996	0.8
203.07072	1.9
203.17976	26.0
204.18401	2.3
229.15953	1.8
247.06064	2.0
247.09801	3.6
247.17006	100.0
248.17314	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1235
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
54.43104	0.5
55.01734	0.7
57.03309	0.9
59.01245	0.5
61.98707	0.6
69.66397	3.7
71.04888	2.7
81.03322	0.7
81.84489	0.6
82.02848	0.8
83.04902	1.4
86.60792	0.5
97.02837	3.7
97.06461	0.9
99.00756	17.9
100.01096	0.7
103.78053	0.5
109.06494	0.9
110.02350	2.1
110.03625	1.3
117.39483	0.5
123.08025	0.6
125.09616	5.6
142.02625	1.8
153.12776	0.6
155.14304	1.8
163.11200	5.7
171.10208	0.8
181.12254	15.8
182.12642	0.9
197.11777	0.6
199.13326	16.9
200.05569	0.8
200.13602	1.1
207.10201	34.0
208.10518	2.5
225.11264	64.2
226.11603	5.9
243.12338	100.0
244.12682	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24569	1.2
57.03318	2.1
58.28490	1.2
59.01250	55.4
65.99694	1.9
69.03313	2.5
69.78504	8.2
71.01258	1.7
72.99185	9.0
82.02848	2.4
82.48333	1.4
83.04903	2.3
97.10785	1.4
105.21862	1.5
107.04949	1.3
107.08534	3.9
110.02335	8.8
121.10114	2.3
123.15816	1.3
125.09665	2.5
127.43803	1.4
137.09558	1.6
139.11165	2.4
155.10660	4.0
169.96657	1.6
171.10173	2.7
172.44505	1.5
181.12267	3.2
183.10184	65.7
184.10506	3.9
197.11734	2.2
199.13379	1.4
200.05602	1.8
201.11256	100.0
202.11636	9.2
207.10074	2.9
215.12819	1.6
221.39726	1.4
225.11267	15.1
225.14807	1.9
226.11777	1.4
243.06609	4.7
243.10109	2.0
243.12280	10.6
243.15967	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.16
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95026	0.4
59.01239	0.9
61.98694	2.4
66.03346	1.0
67.01747	0.6
71.01283	0.6
71.20148	0.8
80.30870	0.4
82.02855	0.9
85.02808	0.5
98.88267	0.5
99.00723	0.5
99.92458	0.9
110.02354	4.3
122.02258	0.6
123.98542	0.4
124.16493	0.4
125.09606	1.6
140.03377	0.6
152.03415	0.8
171.10201	0.8
181.12173	1.1
193.12167	0.5
197.11665	0.5
197.90468	0.4
199.13252	0.5
200.05547	1.3
207.10304	0.6
211.13329	5.7
225.11322	1.9
225.14992	0.5
243.06499	2.5
243.15971	100.0
243.89839	0.5
244.16293	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1599
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
53.42786	0.5
59.01242	1.0
61.98708	2.9
66.03352	0.7
69.85571	0.5
82.02851	1.4
91.66567	0.5
99.00747	0.6
99.92446	1.7
105.29176	0.4
108.04480	0.6
110.02349	3.8
111.00764	0.6
125.09602	1.5
139.11163	0.5
152.03488	1.0
155.14366	0.6
158.24654	0.6
158.94164	0.5
176.79462	0.5
181.12354	0.5
181.15866	0.7
185.35814	0.5
185.37453	0.6
197.90440	0.6
199.07567	0.6
199.13304	0.6
200.05435	1.0
207.10196	1.0
211.13312	4.7
225.11243	2.1
227.02223	0.9
243.02979	0.9
243.06598	2.4
243.12535	3.0
243.15982	100.0
244.16325	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.01603	0.9
59.01242	1.5
71.01258	1.7
71.04879	5.2
71.40160	1.1
71.40502	1.9
81.03315	1.1
83.04893	2.8
97.02834	8.5
97.06461	2.0
99.00755	28.5
100.01060	0.9
100.94917	1.0
106.04061	1.2
108.46752	0.9
109.06434	1.3
110.02335	1.4
110.03623	2.9
123.08021	1.1
125.09588	8.2
126.72829	0.9
127.11193	1.4
135.08028	1.4
142.02612	4.0
155.14334	2.5
163.11182	12.3
181.12254	33.1
182.12573	1.4
195.87750	1.0
199.13321	22.8
200.13664	1.1
207.10197	65.6
208.10519	3.9
212.87671	1.3
225.11269	100.0
226.11597	8.5
243.12350	87.7
244.12679	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24854	0.3
51.64282	0.2
52.16973	0.2
52.17262	0.3
52.88282	0.2
53.10215	0.3
54.49714	0.3
55.26215	0.3
59.01250	9.4
59.96585	0.6
70.53645	1.0
71.01228	0.4
74.98941	9.7
85.02818	0.6
87.00745	1.3
91.02082	9.1
92.02022	0.5
93.00014	4.4
99.00732	0.5
116.76052	0.3
117.01804	0.3
143.01505	0.3
149.00844	4.8
161.04457	1.3
179.05525	7.5
191.86591	0.3
195.13626	0.3
196.14207	0.3
206.99698	2.7
207.99660	0.4
223.02777	100.0
224.02817	12.6
239.05835	0.8
239.12711	0.5
241.03879	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.1
59.01244	1.9
68.57869	0.3
69.44499	2.8
71.01254	1.4
72.99181	0.8
79.00606	0.3
87.00753	0.7
93.03365	0.5
95.08521	0.7
121.06480	7.3
122.06818	0.5
133.69899	0.3
137.09619	100.0
138.09956	6.0
147.95190	0.3
149.09642	2.0
151.11191	1.1
165.12778	0.4
167.14328	1.0
175.11176	0.6
179.05537	2.2
219.93643	0.3
221.11711	0.4
239.12856	86.2
240.13190	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1078
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
50.49696	0.5
55.01743	0.7
57.03308	0.7
59.01245	0.7
67.73831	0.5
69.03326	2.7
71.04891	4.7
78.20323	0.5
81.03310	0.6
93.04632	0.5
97.06462	0.9
123.08030	1.2
125.09621	2.1
139.00366	0.7
145.77809	0.5
146.53534	0.5
151.11217	1.2
153.12735	3.1
161.09604	1.7
178.44495	0.6
179.10733	5.6
196.66380	0.6
197.11758	100.0
198.12105	8.2
223.09714	3.8
241.10777	69.5
242.11124	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.062
Annotation	Uridine
Peak:m/z	Relative Intensity
59.01238	2.0
66.03362	13.3
68.01283	3.2
69.40233	1.0
70.11570	3.9
71.01235	1.6
80.80433	0.9
82.02855	29.6
83.01276	1.6
94.02837	2.8
96.04449	1.8
97.02868	1.1
108.04429	2.1
110.02363	100.0
111.01874	7.7
111.02685	3.7
111.89288	1.1
122.02394	7.2
124.03926	1.9
132.02908	1.2
140.03413	9.7
152.03438	21.5
153.02934	9.9
173.00813	1.5
182.04561	1.4
190.71986	1.3
200.05580	44.3
201.05910	2.3
205.24721	1.0
224.73395	1.0
225.11331	1.8
243.06201	29.0
243.12306	4.0
243.15961	1.3
244.06537	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1235
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
59.01254	17.1
65.01297	1.4
67.02886	1.3
71.01247	2.5
71.04887	2.8
71.53566	1.0
71.53998	1.2
73.02798	1.4
83.04881	1.5
87.00750	1.1
89.59845	1.0
89.83524	1.1
95.04932	1.3
97.02818	4.5
99.00755	15.5
109.06490	1.9
110.02335	5.6
111.00684	1.4
125.09600	4.1
126.04639	1.1
127.11183	4.9
139.11191	8.9
153.12762	1.7
155.14445	1.2
163.11157	5.6
171.10147	1.4
181.12262	26.3
183.10187	14.7
197.11728	3.1
199.03735	1.3
199.13329	45.2
200.13641	3.2
207.10199	31.3
207.13191	1.4
208.10590	1.9
225.11273	67.0
226.11633	4.4
243.06644	3.1
243.12341	100.0
244.08405	1.7
244.12657	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.0
61.98701	0.5
68.81238	0.2
71.01248	0.5
71.52390	0.4
85.21311	0.2
101.02338	0.2
101.56413	0.2
105.36348	0.2
124.06260	0.2
134.03651	0.5
135.04388	0.7
135.07967	0.3
136.05165	0.7
144.93391	0.2
147.04367	0.3
148.05199	11.0
149.05713	0.5
149.09583	1.2
151.07536	0.2
155.16785	0.2
156.49626	0.2
162.06822	0.6
175.07503	0.9
176.08325	0.9
177.09131	47.5
178.09451	3.9
190.09828	1.8
191.07050	0.3
191.10664	0.9
192.11488	33.8
193.11885	3.3
201.09164	0.7
203.07048	0.9
217.08646	3.7
218.09424	8.4
219.09769	0.9
236.10507	100.0
237.03870	0.3
237.10892	9.5
237.14838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.5
68.47459	0.9
71.01257	21.9
71.51703	0.9
71.52056	0.9
75.00726	0.9
79.95606	2.1
83.04857	1.2
96.95914	1.1
108.97026	0.8
113.29107	0.8
115.00262	9.4
119.50504	1.0
121.02845	100.0
122.03185	5.8
129.18385	0.9
210.36069	0.9
226.70132	0.9
237.03989	1.2
237.07709	1.5
237.11316	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.9
59.01251	20.9
59.96904	0.4
60.01556	0.5
61.98711	0.7
69.29112	4.1
71.01247	0.7
80.02538	2.3
81.03326	6.8
84.32438	0.4
85.02824	0.7
87.04394	0.7
96.68330	0.5
98.20628	0.6
102.81273	0.4
109.06470	0.9
113.02414	0.4
123.08051	9.5
124.08407	0.6
125.09615	13.3
126.09907	0.7
135.08023	0.5
137.09602	4.3
148.08815	0.4
149.09636	4.5
161.04477	0.4
163.11238	1.7
165.12766	11.8
166.13055	0.6
169.08632	2.2
175.14896	0.8
179.10634	0.7
191.14339	2.4
193.15901	4.0
194.16174	0.5
219.13907	1.4
237.14926	100.0
238.15260	10.1
250.54718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1598
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
54.10025	0.2
57.03320	1.4
59.01240	0.2
69.03312	0.3
87.04368	0.3
91.30761	0.2
125.09684	0.4
127.11168	2.7
140.39047	0.2
147.13889	0.2
155.14336	0.9
167.14262	0.3
168.73340	0.2
171.10165	4.5
171.11627	0.2
172.10486	0.5
183.13889	0.3
185.15378	0.4
186.15794	0.2
187.07520	1.0
195.13805	0.7
211.13373	0.3
213.14900	5.0
214.15182	0.3
229.14439	2.8
230.14705	0.4
231.15967	100.0
232.16307	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06843	1.5
57.03312	2.9
59.01250	67.2
67.01754	4.4
69.03321	1.7
70.64922	2.4
70.65289	2.9
71.01257	16.5
73.02825	1.8
78.95756	2.6
83.01254	4.4
85.02799	4.0
87.00748	4.6
93.03321	12.6
96.96857	3.3
99.00732	3.1
109.02796	2.0
111.00771	5.2
111.04399	3.7
124.51826	1.4
124.52812	1.3
127.21248	1.3
129.01816	7.6
173.04422	15.0
189.09142	1.6
191.05634	1.6
197.61389	1.4
214.96484	4.4
233.04504	4.2
233.06610	4.9
233.15430	100.0
234.15791	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0944
Annotation	Polyprenyl phosphate
Peak:m/z	Relative Intensity
52.79062	0.2
59.01256	2.3
78.95776	81.1
79.70293	0.2
79.95619	0.3
93.03342	0.9
96.96840	51.2
101.86786	0.2
135.04344	0.2
139.35345	0.2
165.42989	0.2
173.04420	0.8
191.70999	0.2
233.09441	100.0
233.15411	5.6
234.09787	7.9
234.15721	0.7
236.27171	0.2
254.88091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88880	0.3
59.01254	5.3
59.96589	0.6
60.97380	0.5
62.96795	0.3
66.00735	0.2
74.98521	0.4
74.98938	8.5
74.99345	0.4
75.96132	0.2
91.02055	1.4
93.00010	3.1
93.03352	1.1
102.48088	0.3
114.14886	0.3
118.96167	0.9
133.98445	0.4
134.99292	8.8
135.99393	0.3
136.97215	2.7
141.07294	0.4
143.05219	0.4
149.00865	74.8
150.00835	5.1
150.34709	0.3
150.98781	1.1
159.08357	2.4
160.83011	0.3
161.06294	3.9
167.01839	0.3
173.04494	1.3
182.48358	0.3
186.92024	0.3
189.70889	0.3
201.03970	0.4
215.05582	1.4
217.07161	100.0
218.07280	12.6
233.10303	99.1
234.10472	13.1
234.15660	0.7
235.08391	0.6
236.48482	0.3
250.12195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1443
Annotation	6-Peroxy-7(9)-dehydro-2,3,6,7-tetrahydrogeranyl acetate
Peak:m/z	Relative Intensity
54.66479	0.6
55.59990	0.6
59.01253	63.0
62.74145	0.6
69.31972	3.9
69.32395	1.5
72.99161	0.7
76.03979	0.5
99.92455	1.4
108.73999	0.5
113.09619	0.6
139.11214	1.3
141.12755	33.0
142.13118	2.8
153.12769	0.7
167.14391	0.6
169.12257	20.2
170.12520	1.1
185.05936	0.7
187.13321	100.0
188.13692	6.7
200.04733	0.7
201.05402	0.6
211.13394	0.7
229.04977	1.4
229.08861	2.9
229.10663	0.7
229.14369	8.0
229.18060	1.7
230.15178	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.1
64.21106	0.3
66.96360	0.3
68.15601	0.3
71.01357	0.3
71.04877	0.6
73.52355	0.3
81.03363	0.3
83.04906	0.6
84.02037	0.4
84.51376	0.3
85.02822	0.7
89.11338	0.3
94.58343	0.3
97.06519	0.3
98.20551	0.7
102.54040	0.3
125.09621	2.3
127.11178	3.8
143.10654	0.3
147.24063	0.3
155.14328	0.8
163.11215	0.3
165.12773	1.3
167.14331	2.1
171.10167	3.6
183.13789	1.3
193.12279	0.7
209.11752	3.4
211.13336	9.9
212.13644	1.1
229.14413	100.0
230.14766	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
54.83989	0.3
55.93949	0.3
57.03328	1.8
61.28223	0.3
71.04887	0.4
71.31271	0.8
74.93822	0.3
83.04925	0.5
84.02071	0.4
84.30968	0.3
85.02824	0.6
95.42834	0.3
125.09601	2.7
127.11183	3.9
132.65517	0.3
145.87483	0.3
155.14316	1.8
165.12775	0.5
167.14359	1.1
171.10181	4.2
183.13855	0.7
209.11777	2.1
211.13368	5.0
212.13817	0.4
227.12962	0.5
229.14407	100.0
230.14760	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.144
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03331	1.5
59.01246	0.2
64.50332	0.2
69.18464	1.9
69.18865	0.4
71.04881	1.1
71.06161	0.2
83.04905	0.5
84.02058	0.6
85.02814	0.9
86.25056	0.2
97.06467	0.6
125.09616	4.5
126.09918	0.3
127.10281	0.4
127.11176	5.3
128.11494	0.3
155.14323	2.8
165.12723	0.9
167.14320	2.2
171.10179	0.5
183.13820	0.6
185.15338	0.3
193.12404	0.3
209.11783	2.3
211.13377	4.1
212.13770	0.4
226.28529	0.2
229.14409	100.0
230.14751	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
59.01230	1.5
71.53082	2.0
75.00740	1.3
81.16891	1.3
98.82706	1.1
99.92471	3.4
112.68060	1.1
167.14346	2.0
169.12288	3.1
185.05965	1.7
197.11765	100.0
198.12094	8.4
211.13330	1.6
211.43402	1.2
214.02782	1.5
229.05020	3.3
229.08955	6.5
229.14412	29.6
230.14958	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	4.0
57.25723	1.8
59.01253	11.2
61.98699	35.0
68.99690	2.5
69.03313	2.5
71.53036	1.9
71.53490	1.6
71.86312	1.3
78.05198	1.3
81.03309	2.2
83.04906	3.1
83.18195	1.3
93.03339	4.0
95.04900	5.1
97.06470	15.0
99.08051	1.9
101.02322	3.5
109.06443	4.6
109.13981	1.6
113.09573	3.3
123.04394	2.9
125.02321	2.3
125.05951	3.5
137.02322	4.5
141.86777	1.5
143.07040	68.9
144.07356	2.9
151.03862	3.5
153.05482	1.5
160.78615	1.5
163.11205	7.8
165.01863	4.4
178.83331	4.9
180.04196	2.2
181.05098	1.9
181.12236	4.1
181.15897	4.0
195.02908	4.6
198.07925	2.2
199.05923	1.9
207.10416	8.9
207.12001	2.9
207.13850	50.4
208.14229	5.1
210.05196	5.5
224.90524	1.7
225.00407	2.0
225.05753	1.7
225.07675	7.4
225.11424	22.1
225.14899	100.0
225.92639	7.1
226.11395	1.8
226.15271	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03322	0.4
69.20897	3.5
83.04894	0.4
87.27067	0.3
95.77040	0.4
99.00756	0.4
111.08018	0.8
114.75873	0.3
128.72397	0.3
137.74336	0.3
165.12761	19.7
166.13095	1.4
183.13826	100.0
184.05074	0.4
184.14169	8.0
191.10765	0.8
209.11758	5.6
210.12132	0.5
212.06609	0.3
227.07216	0.5
227.12834	15.9
227.16318	0.6
227.20128	0.7
228.13203	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
57.03327	0.9
58.00467	7.0
59.01254	1.0
69.03335	0.9
70.82281	0.5
71.01248	1.0
73.02818	1.4
81.77731	0.3
83.04901	1.0
84.02036	2.0
93.03352	0.4
94.94611	0.3
95.04924	0.3
96.01077	0.3
97.06465	0.8
106.25554	0.3
109.06436	0.4
111.08033	0.7
111.90697	0.3
137.09651	0.6
141.09132	0.4
151.11186	0.6
153.09128	0.8
153.12752	2.0
155.14319	2.4
163.11177	1.4
165.12749	4.8
166.13028	0.5
169.12277	1.3
171.13800	2.7
181.12279	4.7
182.12549	0.5
183.13803	4.2
184.14120	0.3
191.10690	1.2
199.13330	59.8
200.13657	5.4
207.10019	0.4
209.11772	15.0
210.12114	1.3
227.12837	100.0
227.20036	1.7
228.13162	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.92986	0.3
69.37058	0.5
69.37466	1.9
71.04880	0.9
80.02544	2.2
81.03327	1.8
83.01245	0.4
83.04897	7.0
84.02032	2.8
95.04906	1.2
109.06455	0.3
111.08032	0.4
125.05978	0.8
125.09615	0.7
135.08034	0.9
147.11691	0.6
163.11203	5.4
164.11464	0.4
165.12764	4.7
166.13075	0.4
172.80928	0.3
181.12253	1.1
183.13853	2.0
191.10704	1.3
199.13272	0.3
209.11772	100.0
210.12120	9.8
227.03230	0.3
227.12840	5.3
227.16371	0.5
227.20200	0.8
228.13139	0.4
240.25478	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
50.62897	0.2
51.79097	0.2
57.03316	0.3
58.00463	0.3
59.01279	0.2
69.03349	0.3
71.01258	0.2
71.04892	0.5
77.38744	0.2
80.02543	2.0
81.03329	1.7
83.01247	0.4
83.04898	7.5
84.02039	4.5
84.05257	0.3
85.90813	0.2
88.24895	0.2
95.04907	1.1
97.06453	0.3
109.06506	0.6
111.08064	0.3
121.06451	0.3
125.05976	0.8
127.11186	0.3
135.08060	1.1
146.03529	0.2
151.96446	0.2
152.04700	0.3
153.12714	0.4
163.11197	5.5
164.11517	0.5
165.12766	3.9
166.13135	0.3
181.12260	0.8
183.13860	0.6
191.10748	1.6
199.13351	0.5
202.29602	0.2
209.11766	100.0
210.12115	10.4
210.14183	0.3
227.12831	4.3
227.20114	0.4
228.13168	0.3
229.18185	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.0
59.01247	0.9
61.52914	0.4
65.01324	0.5
71.04887	0.8
71.24781	0.4
71.25108	0.8
72.71818	0.4
80.02557	0.5
80.25573	0.4
83.04888	2.5
84.02057	0.6
95.04931	0.5
97.06466	1.8
109.06493	0.7
111.08040	4.9
113.05157	0.5
119.59141	0.5
147.11719	0.5
163.11162	1.0
165.12764	29.6
166.13129	2.0
167.10732	0.5
179.87907	0.4
181.12253	0.8
183.13826	30.8
184.14171	2.7
209.11765	26.4
209.13806	0.9
210.12137	2.6
211.03922	0.4
227.12845	100.0
227.20030	2.2
228.13184	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
52.84273	0.3
71.01237	0.4
71.01572	0.9
71.04861	0.4
80.02534	1.6
81.03318	1.1
81.08923	0.4
83.01262	0.5
83.04890	6.9
84.02043	4.3
92.81243	0.4
94.41458	0.3
95.04884	0.8
119.74662	0.3
125.05933	0.9
125.09589	0.4
135.08081	0.7
163.11206	5.3
164.11543	0.5
165.12753	3.8
181.12282	1.1
191.10655	1.3
209.11768	100.0
210.12099	9.7
219.72559	0.4
227.12831	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03106	0.4
56.38987	0.4
57.03319	0.4
57.08098	0.4
58.72886	0.4
59.01258	2.2
65.01294	0.4
68.97715	0.4
69.03346	0.5
71.01259	0.5
71.04877	0.6
71.25649	0.7
76.18585	0.4
81.03329	0.6
83.04911	1.0
95.04915	0.6
97.02831	11.0
97.06466	0.6
98.03180	0.8
99.00753	4.1
106.04025	0.7
109.02831	0.6
109.06480	4.7
110.03623	5.3
111.04425	0.5
111.88200	0.4
121.06493	0.7
123.04395	0.6
125.09618	1.5
135.08080	2.1
136.05197	2.3
142.02615	5.8
145.10104	0.8
161.09636	1.4
163.11203	12.5
164.11537	1.4
171.06548	0.5
179.10690	1.0
181.12263	30.1
182.12631	2.4
189.09157	1.0
197.11783	1.4
198.07799	0.5
199.06160	0.5
207.10214	74.9
208.10539	7.6
225.11281	100.0
226.11629	11.3
233.71774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1128
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.43399	0.9
57.03297	2.8
57.37014	0.9
59.01250	100.0
60.01581	1.8
62.70285	1.2
65.01317	1.7
68.99704	1.2
71.53316	2.0
83.04865	1.7
85.02803	1.4
93.03333	2.6
95.04877	2.2
97.06446	4.8
101.02319	1.8
105.64650	1.0
121.02819	1.3
121.06504	1.1
122.07454	1.2
123.08004	1.3
135.08034	1.3
137.02330	3.1
147.08046	2.8
151.03992	1.2
163.11145	3.8
165.09119	2.3
181.12216	2.9
195.02902	2.2
195.06509	1.1
199.06039	1.2
207.10175	2.0
225.03932	1.7
225.07729	5.4
225.11246	37.8
226.07224	1.4
226.11501	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.4
59.01245	6.5
61.98394	0.8
61.98704	12.1
68.99667	1.3
69.03314	1.2
69.94966	3.6
71.01255	1.6
81.03310	1.0
83.04887	2.0
93.03336	2.4
95.04881	1.7
97.02849	1.5
97.06477	6.7
98.95513	1.0
101.02338	1.5
109.02798	1.0
109.06460	3.8
113.09576	3.4
121.06442	0.8
123.04427	0.9
125.02285	1.0
125.05976	1.9
137.02356	1.6
137.05959	0.7
137.09589	1.0
143.07051	18.5
144.07367	1.0
151.03888	1.3
153.09132	1.4
153.12758	1.1
163.11223	3.7
163.14835	0.9
165.01834	1.3
178.83313	2.5
181.08582	1.2
181.12230	3.1
181.15837	1.0
195.02875	3.0
195.13864	6.1
196.14207	0.8
197.15392	2.7
207.10414	4.7
207.13853	28.5
208.14189	2.8
210.05225	2.3
225.07645	3.5
225.11618	11.3
225.14894	100.0
225.92575	2.6
226.05080	0.8
226.11685	1.4
226.15254	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17925	0.3
57.17266	0.3
59.01258	0.9
65.03837	0.6
71.01278	0.6
71.25273	0.6
79.54981	0.3
93.03319	0.4
94.80903	0.3
95.04890	0.4
101.02327	0.6
117.35786	0.3
121.02819	1.1
133.02863	0.6
149.02318	1.0
150.03140	5.7
151.03818	0.7
160.01573	0.3
161.02353	2.3
163.00328	0.7
165.01826	1.1
165.05453	0.4
167.03400	0.5
176.01031	0.3
177.01840	3.4
178.02632	74.4
178.99812	0.6
179.02966	4.9
179.06993	0.4
193.04991	100.0
194.05328	6.9
208.07353	66.9
209.04280	0.3
209.07697	6.1
223.02646	0.7
223.06049	1.1
223.09735	9.2
223.13246	0.5
224.09985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1335
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
59.01242	6.2
67.91991	0.8
69.03318	8.5
71.01252	1.1
71.01895	1.6
71.04885	2.7
83.04900	1.5
85.06501	1.1
87.56111	1.1
90.89469	1.0
98.82837	1.0
109.06472	2.0
111.08048	1.1
134.42552	0.9
149.09633	2.4
160.14067	1.0
161.13287	1.3
167.10699	10.3
177.12804	1.0
179.10745	5.3
179.14336	9.5
195.13835	28.3
196.14217	3.1
205.12294	22.1
206.12653	3.4
223.02573	1.2
223.13350	100.0
224.13655	9.7
237.67856	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1335
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03312	2.4
59.01258	8.0
61.98699	2.9
69.03327	9.2
70.94843	1.4
71.01237	1.2
71.04894	3.3
73.02803	0.7
83.04898	1.2
85.01632	0.7
85.02810	0.7
85.06442	1.4
93.03344	0.8
95.04903	2.0
97.06460	1.2
98.40284	0.7
101.02325	1.3
104.56004	0.7
108.05647	0.7
109.06490	2.0
123.08022	1.1
125.09590	1.4
141.09096	1.5
149.09604	1.6
158.89929	0.7
161.13307	1.8
166.06259	1.1
167.10680	11.3
176.83647	1.3
176.98187	0.6
177.12764	1.5
179.10706	4.5
179.14330	11.1
180.11110	0.6
180.14574	0.7
192.26947	0.7
193.01373	1.3
195.13837	28.8
196.14215	2.6
205.12282	22.4
206.12590	2.6
208.03653	1.4
223.02769	5.5
223.06114	1.9
223.13350	100.0
224.02800	0.8
224.13670	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1126
Annotation	Chloriolide
Peak:m/z	Relative Intensity
53.51490	0.8
57.03312	1.4
59.01251	6.1
61.98703	20.6
65.00190	2.1
68.99683	1.0
69.03317	1.4
71.01246	1.1
73.02808	1.4
80.95473	0.9
81.03340	2.5
83.04887	2.0
84.02065	1.1
85.02795	0.9
93.03306	4.2
95.04893	1.2
97.02824	10.1
98.20547	3.3
99.00732	1.1
99.08010	0.8
101.02285	1.6
109.02840	1.4
109.06477	17.6
110.03609	3.6
110.06716	0.8
121.02794	1.1
121.06497	2.2
123.04379	2.1
125.05984	1.2
125.09563	1.2
135.08093	3.9
135.08923	0.8
136.05193	2.3
136.98668	1.6
137.02336	2.0
142.02652	4.2
151.03897	1.9
161.09616	1.2
162.15376	0.7
163.11195	14.9
164.11528	1.3
165.01801	1.7
179.10655	2.0
180.35919	0.8
181.12267	14.6
195.02908	2.3
197.11635	1.6
207.10199	67.1
208.10574	6.5
210.05313	2.0
224.90558	1.1
225.00493	1.4
225.07637	4.9
225.11264	100.0
225.14876	2.4
225.92621	7.0
226.11594	9.7
229.86674	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.1
59.01245	12.7
61.98689	1.3
65.01309	1.1
69.03328	2.2
69.13509	0.7
70.93136	2.0
71.01247	1.7
73.02817	7.1
79.97059	0.8
80.02541	1.8
80.30640	1.0
81.03328	5.3
83.04891	4.0
84.02032	2.0
86.08740	0.8
93.03336	2.6
97.02818	12.8
99.00747	2.0
99.04373	1.4
101.02314	1.6
107.04926	1.9
109.06471	39.6
110.03621	3.0
110.06848	1.9
111.04388	2.7
112.61863	0.8
120.05559	0.9
121.02811	1.1
121.06489	3.2
123.04445	1.8
125.05974	1.6
125.09615	1.6
135.08023	5.5
136.05182	3.5
137.02361	2.1
138.03157	1.1
139.03860	1.0
139.07651	1.0
142.02596	6.1
151.03871	1.4
151.11186	1.1
153.09113	1.5
157.05132	1.6
161.09633	2.2
163.11194	31.2
164.11520	2.7
165.01848	1.9
171.06729	1.1
179.10695	1.6
181.12262	46.0
182.12663	4.8
189.09087	1.3
195.02963	1.4
197.11736	1.2
198.07753	1.2
202.35927	0.9
206.99306	1.0
207.10202	91.6
208.10545	7.1
210.05208	2.6
221.48158	0.9
225.07642	3.5
225.11273	100.0
225.14853	3.0
226.03215	4.9
226.11595	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.149
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01234	0.5
60.85615	0.2
67.39697	0.2
70.94431	0.6
88.15375	0.3
103.95863	0.3
169.12236	0.3
177.12779	0.4
179.48460	0.2
181.81691	0.3
183.13824	29.1
184.14127	2.9
189.54031	0.2
195.13832	25.6
196.14172	2.5
208.89293	0.3
211.13339	0.8
213.14897	100.0
214.15237	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1491
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
57.03321	1.4
59.01251	100.0
60.01588	1.7
61.98700	1.5
69.03340	0.5
70.10191	2.3
81.03331	0.7
85.02829	0.7
93.03330	0.8
98.02340	0.5
111.04385	0.8
125.09602	0.7
127.03893	0.5
139.03836	0.7
142.02718	0.6
145.11243	0.5
151.07486	0.8
151.11189	0.8
169.12267	1.9
176.98160	0.6
183.13826	1.5
185.11771	0.7
195.10204	1.0
195.13821	2.4
213.01854	0.8
213.05464	1.7
213.07591	2.0
213.11417	4.8
213.14890	24.3
213.18475	2.4
214.01381	0.6
214.15211	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1029
Annotation	Hyacinthacine C1
Peak:m/z	Relative Intensity
50.40125	1.6
57.03329	3.9
59.01247	1.8
66.54178	1.8
67.07318	1.5
67.56099	1.7
70.90627	4.0
72.00778	35.6
75.00704	2.7
80.26434	1.7
85.06468	4.8
88.03876	2.4
99.08034	20.3
105.06733	2.0
108.08102	2.5
111.08045	11.8
122.02502	2.0
127.33254	1.6
133.49052	1.5
137.13962	1.5
138.09074	1.6
147.07990	2.2
155.07040	13.9
156.10207	31.8
157.10580	2.1
172.09781	4.3
175.07475	3.2
177.05490	2.0
182.08150	4.7
186.68362	1.7
200.09207	100.0
201.09537	8.2
214.22563	1.6
215.53419	1.6
218.04570	5.1
218.10265	12.2
219.02982	3.5
219.06592	4.5
219.10274	2.3
219.17490	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0815
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
50.18132	1.1
57.38579	1.0
59.01250	19.4
67.30434	1.1
69.03326	51.1
69.27304	8.5
69.27709	2.5
70.03669	1.6
71.04893	100.0
72.05225	3.1
75.02258	3.7
93.03358	2.1
98.19781	2.4
101.02350	1.1
107.04905	3.9
119.01318	1.2
121.01971	2.4
121.02850	48.0
122.03188	2.1
124.25443	1.2
134.03616	18.7
135.04263	1.3
147.00781	9.3
147.08061	3.8
149.09631	10.2
165.01866	2.5
171.29628	1.2
175.07471	1.3
177.09116	12.7
178.09525	1.9
190.99788	3.3
193.08546	2.3
221.04590	1.9
221.06195	1.5
221.08170	25.9
221.11652	1.1
222.08429	3.1
223.52100	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0279
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
59.01252	0.8
59.96597	0.9
61.39797	0.2
61.98701	1.0
65.00148	0.2
70.09515	0.7
71.01254	0.4
73.02814	0.2
74.64928	0.1
74.98944	15.3
75.96080	0.7
75.98911	0.4
76.96856	0.2
85.02783	0.2
93.00008	9.1
93.99924	0.2
96.95908	0.1
101.02330	0.5
121.02836	0.3
123.04370	0.2
149.00859	12.2
150.00816	0.8
150.98810	0.9
151.03917	0.4
152.96635	0.2
174.71506	0.1
176.83600	0.3
193.01300	0.4
194.99350	0.2
206.99640	5.5
207.99626	0.8
208.03665	0.5
208.97639	0.3
223.02774	100.0
223.13275	0.7
224.02824	14.2
225.00778	0.4
241.03853	2.2
242.03810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
53.11725	0.5
57.03322	0.7
59.01244	4.4
60.99170	1.3
61.98698	0.6
64.56916	0.5
65.01324	1.0
71.53816	1.1
72.99169	0.7
73.02803	0.6
77.18227	0.6
81.03329	0.8
83.04878	1.4
85.02789	0.6
95.01255	1.3
95.04909	0.9
97.02833	0.8
97.06461	5.4
106.03990	0.7
107.33080	0.6
109.02818	1.6
109.06480	0.8
122.82585	0.6
123.04406	1.5
123.08069	1.1
124.03942	0.8
125.02355	1.2
125.03354	0.6
125.04279	0.9
131.03561	0.6
137.02327	1.5
139.03873	1.2
139.07507	0.6
139.11105	0.8
139.77406	0.5
149.09628	0.7
149.13239	2.3
153.05455	0.6
157.05063	1.0
163.03970	0.7
163.11273	0.8
165.12720	2.7
167.03412	0.7
167.07022	1.0
167.10687	0.9
167.14311	6.1
168.14618	0.6
172.03842	0.6
181.01311	0.9
183.13826	1.2
184.06111	0.7
185.04602	1.4
185.08330	0.6
193.04950	1.2
193.08597	0.6
193.12314	7.9
194.28944	0.6
196.03694	0.9
209.11775	1.7
211.05971	2.6
211.13332	100.0
212.06259	0.7
212.09418	1.1
212.13687	8.8
217.80313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1127
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
57.03326	4.1
57.66425	0.4
59.01263	1.0
65.01328	0.6
69.03320	0.6
69.33849	2.6
83.04904	0.9
85.06475	0.7
95.04868	0.5
106.03961	0.4
109.06474	0.9
111.08051	6.6
112.08421	0.5
123.08050	38.9
124.08390	2.5
125.09608	4.7
125.44852	0.4
137.09639	8.1
139.11185	62.7
140.11519	4.5
150.00133	0.4
151.07690	0.4
151.11192	12.1
152.11526	0.6
153.09154	0.9
157.53011	0.4
167.10707	2.1
169.12247	7.0
172.06244	0.7
213.11269	100.0
214.11624	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1126
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
52.93171	0.3
53.83164	0.4
57.03346	0.7
58.00491	0.4
59.01270	0.9
65.01330	1.1
65.98422	0.4
69.03330	0.8
70.08569	0.4
70.82639	1.1
79.71019	0.4
93.03353	0.4
97.02897	0.4
97.06482	0.8
105.51125	0.4
106.04023	0.6
119.06104	0.4
120.05563	0.5
125.09569	0.5
129.10983	0.4
130.03990	0.7
136.10262	0.3
144.05574	0.6
145.05025	0.6
150.73969	0.4
151.07597	0.5
151.11194	12.3
152.11543	0.9
153.34741	0.4
160.05157	0.5
169.12259	100.0
170.12599	6.8
171.06725	1.0
172.05022	0.6
183.13783	1.3
187.06148	0.9
194.99352	0.5
195.10202	1.3
195.13846	1.4
209.47238	0.4
213.05696	0.8
213.07616	1.2
213.09270	1.3
213.11250	17.8
213.14832	5.6
213.18523	1.4
214.05177	0.7
214.07214	0.6
214.11685	1.9
214.15198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.097
Annotation	(+)-dihydrocanadensolide
Peak:m/z	Relative Intensity
57.03326	9.7
59.01247	3.6
60.89327	1.0
61.98714	5.4
68.99687	1.3
69.03342	2.6
70.59864	1.0
70.73274	1.8
70.73634	2.2
71.01257	2.1
71.04913	1.6
73.02830	2.0
83.04911	2.8
87.00790	1.4
95.01263	2.2
97.02872	1.4
97.06456	1.5
98.03591	1.4
99.00741	1.9
99.04390	2.0
107.04934	2.4
109.02796	1.4
109.06480	1.2
111.00736	1.5
111.08030	6.7
111.93811	1.0
116.41672	1.1
121.02831	1.1
123.00829	1.2
123.04422	1.5
123.08057	8.8
124.03947	1.9
125.02321	2.5
125.04283	2.8
125.05963	1.3
125.09621	34.5
126.09935	2.1
135.85016	1.1
137.02393	3.2
137.09628	7.0
138.03117	1.2
139.03911	1.8
139.07539	11.6
139.11185	14.6
141.09099	5.5
149.05927	1.6
149.09724	1.5
151.03789	1.2
153.05487	2.0
153.25409	1.1
155.10695	8.8
164.98111	1.4
165.05411	1.6
167.07103	2.5
167.10674	2.7
167.14310	2.8
181.01303	1.2
183.13815	13.4
184.10446	1.3
193.05046	2.6
193.08691	1.9
193.12294	4.6
196.03741	1.6
211.04128	2.4
211.06110	7.9
211.08022	2.4
211.09737	92.5
211.13322	100.0
212.10115	9.2
212.13603	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1335
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
57.03316	0.5
58.40581	0.3
59.01253	1.4
60.91776	0.3
61.98687	1.4
69.03329	1.1
69.35815	0.3
70.36985	0.7
71.04884	0.3
73.28826	0.3
75.00708	0.3
78.95779	0.3
81.03337	0.6
83.04893	1.3
85.02850	0.4
94.02853	0.5
95.01239	0.7
98.20461	0.3
109.02885	0.3
111.04367	0.5
111.08010	0.3
113.05983	0.3
121.02798	0.6
121.06496	0.3
123.04356	0.5
123.08031	0.4
124.03945	0.8
125.02320	0.9
125.04293	0.5
126.10414	0.4
137.02321	0.8
139.03893	0.7
139.07416	0.3
149.05910	0.4
149.09677	0.4
151.11218	0.4
152.04720	0.4
153.09065	0.4
155.10675	0.7
157.05092	0.3
165.12784	0.7
167.07144	0.3
167.10680	0.9
167.14299	1.5
169.05077	0.4
181.01349	0.3
183.12183	0.8
183.13829	15.1
184.14191	1.3
193.05089	0.8
193.12247	3.4
194.12576	0.5
196.03506	0.3
211.06161	2.3
211.13335	100.0
212.13676	9.2
212.15292	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52382	0.2
55.36417	0.3
58.02822	0.3
59.01237	1.1
65.01310	0.7
71.01253	0.5
71.52972	0.3
80.02548	2.6
81.03326	2.3
83.01250	0.6
83.04395	0.6
83.04898	10.3
91.02844	0.3
92.99699	0.4
93.03358	0.6
94.02859	1.3
95.04912	1.5
97.02832	0.5
97.06458	0.6
97.21735	0.3
98.03439	0.3
107.04897	0.6
109.02843	0.6
109.06470	0.8
111.04336	0.4
118.94925	0.3
120.02039	0.3
121.02845	20.2
122.03158	0.8
122.06011	0.3
123.04369	0.6
124.03934	4.3
125.02362	0.3
125.05956	0.9
125.51422	0.3
135.04445	0.7
135.08034	1.1
136.01518	0.5
137.02299	0.4
137.05992	1.0
139.03886	0.5
143.04817	0.4
151.03929	0.5
156.05588	0.9
161.02356	0.6
163.11200	7.0
164.11554	0.6
165.05469	0.9
165.09073	0.6
165.12782	4.3
166.02626	0.3
166.12997	0.3
167.03412	0.5
178.99788	0.4
179.03427	1.2
180.06589	0.3
181.05072	0.4
181.12286	1.3
183.06721	1.5
191.10728	1.9
194.02090	0.7
194.05821	0.9
209.04527	3.9
209.11769	100.0
210.07805	0.9
210.12120	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
57.03327	2.8
59.01252	100.0
59.62504	0.4
60.01588	1.5
66.67133	0.4
69.76841	0.7
69.77248	2.2
80.02548	1.0
81.03315	0.9
87.96991	0.4
89.01419	0.4
94.02872	0.8
95.04949	0.6
97.06469	2.8
100.67809	0.4
109.06487	3.5
112.69886	0.4
114.36209	0.4
121.02853	6.9
124.03970	2.3
165.12752	5.1
166.13161	0.6
183.06798	0.8
209.04575	2.0
209.11771	13.7
210.07776	0.6
210.12143	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	Pulchellon
Peak:m/z	Relative Intensity
55.01748	1.0
57.03328	6.3
58.00468	1.0
59.01248	4.3
61.98704	6.6
65.00174	1.1
66.03337	1.1
69.03317	2.4
69.81838	3.8
69.82253	1.6
71.01252	21.9
71.04884	2.1
73.02820	1.5
80.02533	2.0
81.03344	3.9
83.01273	6.1
83.04898	7.4
84.02033	2.4
85.02820	1.7
91.01779	0.8
93.03333	2.6
94.02860	6.9
95.01271	1.3
95.04881	5.1
97.02863	1.1
97.06461	6.0
99.04378	1.0
106.04143	1.1
107.04877	1.1
108.02037	1.5
109.02826	2.5
109.06482	1.8
111.08029	2.2
120.02058	1.0
121.02844	81.6
121.06431	1.2
122.03117	5.5
123.00762	0.9
123.04396	1.6
123.08041	1.3
124.03933	18.2
125.02356	1.3
125.09623	10.9
134.03595	1.2
135.04388	1.7
135.07968	1.9
136.01524	1.2
136.98621	1.1
137.02330	1.4
137.05977	3.1
139.04015	1.1
144.00539	1.2
145.10143	2.2
147.08026	0.9
147.11690	3.5
149.09639	1.0
151.03914	1.2
151.11186	30.9
152.11517	1.8
153.12720	3.3
161.02368	2.3
161.09695	1.3
163.03816	1.2
163.11200	8.7
164.11435	1.0
164.98224	0.7
165.01874	1.3
165.05478	2.4
165.09151	1.1
165.12769	19.8
166.02676	1.5
166.13094	1.6
167.03430	1.1
167.10654	1.3
173.09595	3.2
178.99718	1.4
179.03467	6.3
179.10706	5.8
181.12262	40.4
182.12608	3.6
191.03471	1.1
191.10716	18.4
194.02074	1.7
194.05859	4.8
209.00659	0.8
209.02512	1.0
209.04488	17.1
209.08281	3.9
209.11768	100.0
209.94801	1.8
210.04883	1.4
210.07724	1.8
210.12158	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01752	4.0
56.49623	0.3
57.03323	2.2
59.01237	1.3
61.98707	2.3
65.89291	0.4
66.03346	0.4
67.01736	0.4
69.03319	1.6
70.10043	0.7
70.10421	0.6
71.01254	0.5
71.04900	1.1
74.85087	0.4
77.91934	0.4
79.00120	0.4
80.02538	1.3
81.03322	5.5
83.01256	32.5
83.04890	5.6
83.40881	0.4
84.01581	0.5
84.02031	1.6
91.01783	0.5
92.99681	0.6
93.03336	1.1
94.02837	3.0
95.04897	1.6
97.02834	0.7
97.06467	5.7
99.00752	0.6
99.04369	0.8
108.02052	0.6
109.02781	0.5
109.06442	0.4
109.68244	0.3
111.08026	0.9
120.02045	0.9
121.02843	34.3
121.06448	0.4
122.03174	1.5
123.08035	2.6
124.03938	6.9
125.09607	23.9
126.09926	1.3
131.46614	0.4
135.04411	0.6
135.08023	3.1
136.01517	0.7
137.02342	0.5
137.05956	0.7
147.11658	1.2
151.03900	0.7
160.07645	0.4
161.02328	1.0
163.11197	11.9
164.11491	0.9
165.01825	0.4
165.05484	0.9
165.09039	0.7
165.12750	4.1
167.10660	0.5
173.09760	0.6
179.03432	3.9
181.04929	0.6
181.12247	1.5
181.85117	0.4
191.10709	8.9
191.97647	0.4
192.11003	0.9
194.02130	0.9
194.05785	2.1
209.04526	5.9
209.11760	100.0
209.94803	0.8
210.04755	0.6
210.07739	1.0
210.12125	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
55.01757	1.6
57.03324	6.3
59.01245	4.1
61.98701	4.8
65.00189	1.2
66.03341	1.6
69.03319	3.0
69.28619	0.7
71.01250	16.5
71.04873	1.5
72.19173	0.7
73.02814	1.7
80.02542	1.4
81.03324	3.0
83.01253	8.7
83.04888	7.6
84.02018	1.5
85.02824	1.3
91.01766	0.9
92.99702	1.2
93.03329	2.3
94.02862	5.8
95.01279	1.5
95.04876	4.5
97.02835	1.3
97.06469	6.4
107.04883	1.5
108.02071	1.2
109.02795	0.8
109.06459	1.3
111.08051	2.8
112.01490	0.9
120.02110	1.0
121.02841	86.0
121.06516	1.0
122.03128	4.7
123.04376	1.5
123.08023	2.0
124.03939	18.1
125.02331	1.9
125.09607	11.7
126.09918	0.9
134.03638	1.2
135.04381	1.1
135.08057	1.8
136.01549	1.3
136.98756	0.9
137.05945	2.6
137.09686	0.7
138.03111	0.8
139.03755	0.7
145.10100	2.9
147.04417	0.7
147.11691	2.5
149.02376	1.0
151.03877	1.3
151.11188	23.6
152.11507	1.7
153.01889	0.8
153.12762	2.6
161.02292	1.7
161.09624	1.1
163.11214	9.4
164.93964	1.0
165.01787	1.1
165.05458	2.1
165.09125	1.6
165.11363	1.3
165.12755	23.7
166.02577	0.7
166.13130	1.3
173.09615	2.5
179.03435	6.1
179.10666	7.2
180.11050	0.7
181.04950	1.1
181.12259	28.2
182.12592	3.2
185.20422	0.7
191.10695	12.2
192.11079	2.0
194.02106	2.1
194.05797	5.0
209.04506	14.4
209.08240	3.8
209.11761	100.0
209.94826	1.6
210.07643	2.2
210.12120	9.1
224.74911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01754	2.5
56.76643	0.5
57.03316	2.0
59.01248	4.2
59.83631	0.5
61.98704	4.8
65.00188	0.7
65.03825	2.2
65.23312	0.5
66.03351	0.9
66.56423	0.5
67.01749	1.3
69.03312	1.0
71.01266	1.2
71.04890	1.5
77.03873	0.6
79.01766	0.6
80.02541	0.8
81.03333	6.0
82.37977	0.5
83.01256	27.8
83.04895	4.0
84.01590	0.7
84.02049	1.4
85.02824	1.2
87.00760	0.9
89.03838	2.2
91.01776	1.2
92.99664	0.9
93.03333	8.1
94.02868	5.9
94.04137	0.8
95.01266	1.0
95.04895	4.7
97.02840	0.9
97.06463	6.1
99.04418	0.6
105.03348	3.6
107.04902	1.0
108.02057	1.1
108.05185	0.4
109.02832	2.1
109.06457	1.2
111.04396	0.8
111.08027	0.5
120.02082	1.2
121.02840	100.0
122.03111	5.2
123.00775	1.6
123.04419	3.8
123.08047	2.5
124.03933	16.3
124.04805	1.0
125.02320	1.1
125.05976	0.8
125.09608	23.8
126.09951	1.6
133.02832	2.5
135.04370	2.4
135.08034	2.7
136.01578	1.8
136.98701	0.6
137.02357	2.9
137.05966	2.5
137.09584	0.5
138.03143	2.7
139.03888	1.4
147.04430	0.6
147.11723	1.6
149.02359	2.6
150.03020	2.0
151.00256	6.5
151.03925	6.9
151.11160	0.9
152.00885	0.6
153.01753	0.6
153.05492	1.8
153.12680	0.5
161.02347	20.5
161.09651	0.6
162.02713	1.8
163.11189	10.5
164.94112	1.2
165.01836	1.4
165.05547	2.7
165.09113	1.4
165.12767	4.1
166.02620	6.3
167.03296	1.0
167.10785	0.9
173.09639	0.8
176.04698	0.8
177.01740	0.9
178.02538	1.9
179.03409	74.8
180.03749	5.3
181.04965	11.4
181.12254	2.1
182.05305	0.6
191.03487	0.6
191.10710	8.3
192.11105	0.9
193.01442	0.6
193.04977	1.5
194.00565	0.9
194.02148	8.2
194.05754	43.6
195.02661	1.0
195.06171	2.5
209.01213	1.0
209.04497	24.2
209.08397	12.2
209.11761	93.5
209.94783	1.0
210.04837	2.9
210.07840	1.8
210.12111	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
52.93720	1.0
57.03313	4.9
58.04142	0.9
59.01249	13.0
59.61550	0.9
64.96619	1.2
69.03326	32.4
71.04898	5.2
71.40574	1.8
83.04886	4.1
93.03325	1.9
94.02860	2.1
95.04918	2.7
97.06468	1.8
101.09471	1.2
102.49567	1.1
107.08500	1.4
108.05671	2.0
109.06500	1.7
111.08022	5.6
116.46935	1.0
121.02850	22.1
121.10110	1.6
124.03945	5.2
127.07512	1.7
135.08003	1.9
139.07570	1.5
147.08022	1.0
153.09161	7.8
163.11211	5.3
165.09111	4.2
165.12759	25.6
166.13060	2.2
173.09654	2.3
181.12254	25.3
182.12601	1.4
191.10695	29.3
192.11116	2.8
209.04407	3.9
209.11769	100.0
210.12148	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
57.03300	0.8
59.01246	4.0
59.35878	0.5
61.98700	7.1
65.00179	0.6
66.03357	1.1
67.01766	0.5
69.03340	1.1
69.32018	2.9
69.32442	2.2
71.01239	0.6
72.99148	0.6
73.94659	0.6
80.02563	0.6
81.03333	1.1
83.01281	0.8
83.04900	2.6
85.02816	1.1
91.01765	0.7
92.99664	0.6
93.03338	0.8
94.02859	7.2
95.01259	1.1
95.04881	1.2
97.02846	0.6
97.06469	1.2
108.02076	1.1
109.02840	1.4
109.06443	1.1
109.29702	0.5
111.00743	0.8
118.94093	0.6
120.02060	1.3
121.02841	78.0
122.03118	4.0
123.00772	1.0
123.04414	1.8
124.03934	19.6
125.02322	1.6
129.25229	0.6
133.02826	0.5
135.04454	1.6
136.01567	1.2
137.02356	1.2
137.05971	2.4
137.89841	0.5
139.03880	0.7
142.32367	0.5
149.02345	1.0
151.03896	0.9
161.02344	1.8
163.11208	0.7
164.94044	1.0
165.05440	3.1
165.09097	1.1
165.12759	0.8
167.03365	1.2
179.03441	3.8
181.05034	1.3
181.12260	0.9
191.03371	1.0
191.07076	0.8
191.10774	0.7
194.02115	1.3
194.05705	2.4
209.00935	0.6
209.04512	17.2
209.08272	2.6
209.11772	100.0
209.15396	9.4
209.94841	1.9
210.04874	1.7
210.07761	1.2
210.12129	10.0
210.15642	1.1
218.19360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.4
65.01292	0.4
65.03835	1.6
65.99725	0.2
70.81940	0.3
70.82247	0.3
79.05390	0.6
81.03303	0.4
83.01260	0.3
83.04910	0.9
87.00737	0.6
89.03842	2.3
93.03331	1.6
94.02856	0.9
95.04899	2.0
97.06474	0.3
105.03350	4.1
106.03712	0.2
107.04888	0.5
108.02027	0.3
109.03872	0.2
111.04464	0.2
112.98714	0.4
117.03343	0.3
119.84742	0.2
121.02848	14.0
122.03130	0.4
123.04404	3.5
124.03942	2.8
124.04817	0.3
125.02354	0.3
125.05948	0.3
130.04002	0.2
133.02853	3.1
133.20599	0.2
135.04416	1.2
136.01532	0.8
137.02274	0.5
137.05975	0.4
139.03951	0.2
149.02361	0.4
151.00346	0.2
151.03923	9.5
152.01003	0.3
152.04265	0.3
153.01830	1.0
154.81706	0.2
156.05568	0.5
161.02350	27.6
162.02661	2.0
163.03972	0.3
163.11310	0.4
165.01877	0.3
165.05441	0.7
165.09091	0.4
165.12766	0.3
166.02669	0.4
167.03389	0.4
171.67853	0.2
175.53615	0.2
176.04704	0.6
176.68553	0.2
178.02704	0.2
179.03418	100.0
180.00494	0.4
180.03751	6.2
181.04965	0.5
181.84007	0.2
182.04532	0.3
183.06726	0.8
191.10744	0.3
193.05025	1.1
194.05779	58.2
195.02965	0.4
195.06120	4.7
195.24562	0.2
209.04607	3.4
209.08147	14.4
209.11720	8.1
209.13766	0.4
209.99052	0.2
210.08371	1.1
210.12099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54481	0.2
59.01253	1.6
63.27858	0.2
65.01346	0.3
65.03542	0.3
65.03831	1.6
69.03378	0.3
69.28546	2.3
73.02892	0.3
79.05442	0.7
80.02570	0.3
81.03336	0.6
83.01321	0.3
83.04903	1.7
85.02807	0.3
87.00786	0.5
89.03839	2.7
89.85400	0.2
91.01800	0.3
93.03368	1.1
94.02869	1.6
95.01300	0.3
95.04903	2.3
96.95910	0.3
97.06506	0.2
97.27039	0.2
98.20518	0.5
105.03339	4.2
105.03975	0.4
107.04963	0.7
108.02113	0.4
109.02844	0.5
109.06531	0.3
112.98763	0.4
117.03400	0.4
120.27752	0.2
121.02846	20.7
122.03217	0.9
123.04402	3.4
124.03949	3.8
124.04813	0.4
125.02393	0.2
125.05979	0.3
133.02855	3.2
135.04445	1.4
136.01588	0.9
137.02309	0.5
137.06009	0.8
138.03079	0.2
150.03084	0.3
151.00307	0.2
151.03917	10.0
152.04280	0.6
153.01778	1.3
156.05592	0.6
161.02351	27.5
162.02692	1.9
163.11237	0.9
165.05513	0.8
165.09081	0.6
165.12810	0.7
166.02716	0.5
167.03439	0.4
176.04726	0.7
179.03418	100.0
180.03741	6.9
181.05045	0.4
183.06691	0.6
191.03510	0.4
191.10709	0.3
193.04994	0.8
194.05779	58.3
195.06122	4.6
209.04607	3.9
209.08171	13.8
209.11757	15.9
210.04958	0.3
210.08542	1.6
210.12054	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	8.6
57.03312	2.1
58.00467	3.1
59.01251	72.3
60.01612	1.9
60.99172	2.0
65.00180	1.6
68.99695	14.7
70.81204	2.3
70.81542	2.8
71.01251	93.4
72.01586	1.6
72.99178	48.7
73.02821	11.4
75.00748	39.2
76.51302	1.7
79.49343	1.6
83.01260	10.6
84.99235	2.5
85.02808	3.7
87.00751	58.9
89.02312	5.7
96.99197	10.5
98.80384	1.9
99.00754	35.9
100.98654	3.3
101.02322	9.5
103.00272	10.8
111.00767	17.1
112.98672	8.7
115.00253	100.0
116.00584	3.8
117.01818	13.6
124.98702	17.8
125.02304	2.0
127.00246	12.0
129.01846	17.2
130.99733	18.8
133.01321	2.5
142.99759	25.1
144.00514	2.6
145.01331	25.6
147.04474	2.8
154.99777	17.5
157.01338	5.1
161.05901	1.7
164.07056	3.4
169.01273	2.3
173.00842	6.3
175.02371	8.2
205.03339	3.2
205.05040	4.3
205.15895	6.0
206.04251	3.9
206.08192	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1591
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
58.02829	0.3
59.01249	0.2
60.27068	0.1
61.51027	0.1
70.91076	0.2
71.01241	0.2
75.00748	0.1
87.00723	0.1
93.03326	0.1
115.00271	0.3
117.13406	0.1
147.04388	0.3
149.44189	0.1
161.05957	0.3
162.89223	0.2
164.07092	0.4
177.05371	0.1
189.12761	1.8
205.05141	0.6
205.15906	100.0
206.08348	0.2
206.16251	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	6.0
58.02837	7.7
59.01247	38.5
60.01588	3.0
60.99180	4.0
68.99681	8.2
70.33846	2.4
71.00540	4.7
71.01253	29.5
72.01600	6.6
72.99177	54.7
73.02821	26.4
73.99509	2.7
75.00755	16.5
76.21801	2.2
79.63348	2.1
83.01243	7.9
84.01592	2.0
84.99182	4.2
85.02820	19.6
87.00751	43.7
88.01089	2.6
89.02277	2.7
95.01288	3.6
96.99178	2.7
99.00774	16.9
100.01044	3.2
100.98680	7.6
101.02306	11.6
103.00243	12.2
112.98677	14.4
113.02334	41.3
113.62346	2.1
115.00251	21.5
116.00593	5.8
117.01834	6.0
118.03215	5.6
129.01814	19.2
130.02167	3.1
130.99754	100.0
131.03394	8.1
132.75192	2.5
133.01331	19.9
142.99721	4.0
144.00580	24.8
145.01318	62.2
146.01651	4.3
157.01335	27.5
164.07016	3.3
175.02440	2.1
206.04234	30.6
206.08363	2.3
207.04942	5.5
214.69533	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0817
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
57.73481	0.6
58.02848	39.2
59.01248	3.2
65.01323	1.1
70.02847	13.3
71.01254	1.3
71.32629	1.2
72.00786	6.8
75.00742	0.9
76.34241	0.6
81.52370	0.7
91.05390	5.4
93.03297	0.9
96.34999	0.7
119.04869	1.1
129.52853	0.7
132.81303	0.7
135.04416	3.8
147.04411	42.7
148.04839	2.6
149.02428	0.8
150.03081	0.8
162.09161	1.2
163.00310	0.9
163.03932	1.1
163.07494	0.9
164.07082	100.0
165.07428	6.9
177.01865	3.5
179.06941	0.8
190.99821	1.3
192.04190	3.3
206.08163	31.0
207.02902	1.4
207.06557	3.5
207.08499	2.1
207.10245	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1126
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
52.58963	0.4
57.03324	4.2
57.31290	0.4
58.00461	0.6
59.01257	4.5
65.01313	0.9
65.99714	0.9
69.03328	1.2
71.01242	0.4
71.04901	1.8
71.53026	0.5
72.99177	2.3
74.58327	0.4
82.03955	0.5
83.04914	1.7
84.02033	1.0
85.02814	3.0
87.04394	1.3
91.02908	0.6
95.04908	1.2
97.06467	10.2
98.06775	0.5
99.04391	0.6
99.08035	10.7
101.05993	0.4
103.03895	0.7
106.03988	0.7
109.06476	0.6
111.08019	0.4
111.83244	0.3
115.02023	0.4
119.02341	0.5
120.05594	0.5
125.09599	1.3
127.11182	8.7
128.11526	0.9
130.04027	0.4
132.05576	1.2
133.04047	0.5
133.05009	0.4
135.08105	0.7
137.09630	2.2
139.11215	4.9
143.07040	2.8
147.01788	0.4
147.05534	0.4
147.06660	0.4
148.05136	0.6
155.10674	3.9
157.12277	1.3
158.03416	0.4
159.03014	0.8
159.04297	0.5
159.06638	0.5
160.05090	0.6
165.09125	1.0
171.10228	1.2
173.04616	0.5
174.06630	1.0
175.06158	1.0
180.36826	0.4
181.08601	1.9
182.09061	0.5
183.10202	7.8
184.10570	0.4
199.09718	0.8
201.04039	0.9
201.11253	100.0
202.07323	0.5
202.08900	0.5
202.11580	8.3
224.29745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.019
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
55.01732	1.0
57.03303	3.5
57.39762	0.9
57.96317	0.9
59.01237	4.5
60.99173	2.9
65.01302	1.2
66.00850	0.9
66.13715	0.8
67.01756	2.3
68.01275	1.2
69.03326	83.7
69.70507	5.3
70.03637	2.1
71.01254	51.8
72.01569	1.6
72.99172	9.4
73.02830	1.1
75.00748	5.6
79.01749	5.9
83.01257	3.4
85.02811	8.4
86.46449	0.9
87.00757	13.1
87.77602	0.8
91.02901	1.0
95.01270	9.6
97.02827	100.0
98.03133	4.5
99.00766	2.7
106.03918	1.1
109.03952	1.0
111.00770	3.0
113.02336	3.2
115.00255	10.6
115.03889	1.5
119.02388	1.2
123.00772	6.3
123.01657	1.0
128.32535	0.9
129.01833	4.5
134.03499	2.5
137.46819	0.9
141.01831	28.4
142.02097	1.4
148.05048	1.2
158.03578	1.0
159.02957	2.2
159.04333	2.2
161.02420	1.3
175.03957	2.5
176.04575	2.2
187.09200	1.0
203.01901	99.0
203.07100	3.4
203.10725	1.4
203.12825	1.7
204.02191	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1282
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
59.01254	1.1
69.03335	0.8
69.57265	0.6
69.57674	1.7
71.01243	0.6
85.02771	0.3
97.02845	1.0
99.08022	0.5
125.09611	1.3
127.11177	16.3
128.11517	0.8
137.09599	0.9
139.11162	0.9
155.10684	9.4
156.11008	0.5
157.12251	58.1
158.12575	4.1
178.47441	0.4
185.11761	0.8
186.81537	0.4
201.11227	0.9
203.01845	0.7
203.12822	100.0
204.13164	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1283
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
56.88763	0.7
57.03323	3.9
57.76321	0.7
58.88591	0.6
59.01263	3.9
59.89814	0.7
61.33754	0.7
65.01310	1.0
65.99707	1.4
69.03323	3.4
71.01247	2.6
71.52515	0.8
73.02825	0.7
75.00711	0.9
85.02825	2.0
87.00755	0.9
91.02918	0.7
97.02818	3.0
97.06448	1.7
99.08038	6.8
107.02403	0.9
109.23946	0.6
113.02282	0.9
127.11150	2.8
131.04936	1.6
133.03975	1.1
133.05057	0.8
139.11169	1.1
141.01845	1.1
143.07025	1.7
155.10674	1.2
157.12263	2.6
158.02362	0.8
159.04454	1.4
159.08035	0.8
161.04475	1.1
175.03944	1.4
175.07562	1.0
176.04596	1.2
185.11771	5.0
194.93954	0.7
201.11296	4.5
203.01875	3.0
203.03461	2.4
203.05550	1.9
203.07100	2.4
203.12816	100.0
204.02794	0.9
204.13129	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34763	0.8
55.01754	6.4
58.00449	2.7
59.01250	51.3
60.99167	4.2
62.07400	0.9
67.01756	1.2
67.54366	0.9
67.76238	0.9
68.99689	11.6
71.01251	74.2
71.09709	1.9
72.99178	46.2
73.02818	9.2
75.00744	35.5
83.01247	9.2
84.99177	1.3
85.02821	2.7
85.99974	3.4
87.00745	45.1
88.01554	1.8
88.98694	1.5
89.02328	6.4
90.65795	0.8
96.99177	6.7
97.99968	1.7
98.03179	0.9
99.00756	32.0
100.98679	9.4
101.02319	6.8
103.00240	7.7
105.01815	10.6
111.00763	14.3
112.98695	5.9
115.00252	100.0
117.01820	15.4
124.98684	11.0
125.99439	1.5
127.00259	13.0
129.01836	11.9
130.99738	2.5
131.03392	1.0
133.01266	1.9
142.99747	23.2
145.01324	22.3
147.02875	0.9
154.99762	16.4
157.01289	2.7
159.02870	1.0
169.01306	1.3
173.00795	6.3
174.01663	4.4
175.00925	1.5
175.02361	10.7
176.01410	1.0
187.02411	4.2
204.02672	12.8
205.03401	6.1
205.04970	1.7
205.15919	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1333
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
50.54597	0.3
51.40705	0.2
55.01751	0.3
57.03316	0.5
59.01257	2.0
61.98698	0.6
65.01322	0.7
66.80875	0.3
66.91718	0.3
67.01749	0.4
69.03320	0.6
70.82004	0.4
70.82336	0.5
71.01255	0.7
71.04881	0.8
72.99184	0.5
73.02808	0.6
83.01251	0.5
83.04896	1.3
85.02817	1.2
87.00694	0.3
91.02899	0.5
92.99664	0.5
95.04903	0.4
97.02824	0.3
97.06467	0.5
99.00745	1.1
99.04393	1.1
99.08028	0.8
106.04018	0.6
109.02852	0.4
110.02341	0.4
111.00764	0.6
111.04407	0.3
113.02334	1.1
116.14124	0.3
123.00711	0.3
125.09623	0.5
127.03880	1.0
129.04507	0.3
130.03984	0.8
135.07980	0.3
137.05943	0.6
137.09619	0.6
138.97021	0.3
139.03938	0.4
145.03955	0.6
146.03479	0.3
153.12683	0.5
155.07022	0.6
155.10684	4.9
156.05557	0.3
156.89355	0.4
157.05106	0.8
158.03488	0.4
162.83818	1.9
163.11224	0.8
164.83566	1.9
169.12263	6.0
170.12573	0.6
172.05054	1.0
172.06302	0.5
173.04584	0.4
181.05026	0.4
181.12267	20.4
182.12631	2.4
187.54970	0.3
197.11745	1.8
199.06093	3.2
199.13330	100.0
199.80379	1.4
200.03595	0.3
200.05748	0.4
200.13669	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1127
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
52.94420	0.8
57.03319	3.2
59.01242	7.0
65.01293	1.1
65.99718	1.0
67.01765	1.5
69.03310	0.9
69.29449	6.6
69.29855	1.9
71.04900	2.0
73.02856	1.0
82.80103	0.8
83.04901	3.9
84.02020	1.0
85.02803	3.6
86.00412	0.9
87.04375	4.5
88.98963	0.8
95.04922	2.7
97.05875	1.7
97.06467	20.9
98.06814	0.9
99.08031	12.8
106.03973	1.0
123.96293	1.0
127.03790	0.9
127.11168	5.0
131.03554	0.9
134.03520	0.9
137.09619	2.7
139.11186	11.7
139.41763	0.8
143.07030	2.6
155.10669	2.0
157.12251	1.2
159.02995	1.6
173.06010	1.9
175.06128	1.5
181.08623	2.4
183.10159	11.1
201.01799	2.0
201.05527	4.0
201.07515	2.5
201.11252	100.0
202.11581	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
57.03317	5.2
59.01245	8.6
59.72377	1.2
59.80220	1.0
61.57045	1.2
62.86089	1.3
65.01331	2.7
65.99733	2.7
69.03297	1.5
69.13573	1.1
69.65697	0.9
71.04884	3.6
71.46914	1.0
72.99186	1.7
81.03321	1.6
83.04893	1.8
85.02820	6.7
87.00745	1.4
87.04401	5.9
95.04910	5.2
97.06470	40.8
98.06839	1.9
99.08031	12.6
101.06007	1.0
103.03858	1.4
106.03951	1.9
121.04028	1.6
125.09573	1.3
127.10329	1.2
127.11173	8.4
132.05557	3.4
133.03949	2.1
133.61812	1.0
134.03593	1.3
137.09631	2.6
139.11189	9.4
146.03473	1.5
155.10695	2.8
157.06401	1.1
157.12201	1.5
158.05974	1.2
159.02917	1.2
159.06697	1.5
169.38817	1.3
173.05937	1.8
174.03015	1.1
174.06664	2.6
175.06210	1.8
183.06738	1.3
183.10194	4.4
201.01802	1.5
201.03931	2.0
201.05721	2.5
201.07677	3.5
201.11253	100.0
202.07394	1.4
202.11591	7.3
211.32079	1.0
216.93929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.097
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03318	5.3
59.01250	68.6
60.01571	2.0
65.01313	4.0
69.03312	2.8
69.82440	6.8
71.01248	6.3
71.04892	9.2
72.99181	2.3
73.02818	4.6
75.98640	1.2
80.02551	4.1
81.03329	7.4
83.01277	3.2
83.04896	81.8
84.02032	10.0
84.05202	3.2
85.02808	7.0
87.00743	1.5
95.04893	4.2
97.02808	2.9
97.06467	3.1
98.20443	2.8
99.04409	4.1
99.07993	1.6
106.04015	1.6
107.04899	2.7
109.02826	2.0
109.06463	13.3
110.06814	1.8
111.00701	1.6
111.04375	1.4
111.08028	2.5
113.02349	6.9
113.05936	1.3
119.04990	1.4
119.08589	1.6
125.02344	2.5
125.05994	1.7
125.09624	1.6
127.03926	9.0
130.03983	2.6
131.03526	2.5
135.08061	26.3
136.08374	2.3
137.05975	3.8
137.09599	12.6
139.03922	1.9
146.03474	1.8
155.10663	13.1
157.05060	3.5
158.03448	2.3
163.07539	5.3
164.83391	1.9
172.05087	4.0
173.04608	3.1
181.08623	100.0
182.08949	8.6
199.04103	2.7
199.06081	12.1
199.07855	2.3
199.09691	14.7
199.13329	12.0
199.16959	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.097
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
52.48954	1.2
54.74755	1.4
57.03316	2.7
59.01248	69.7
65.01318	4.2
65.99714	1.8
68.99660	1.3
69.03321	4.3
69.44360	11.0
71.01243	3.5
71.04589	1.0
71.04903	8.6
72.99161	3.2
73.02817	3.2
80.02549	4.3
81.03329	8.0
83.01266	4.3
83.04893	78.9
84.02038	12.2
84.05232	3.8
85.02824	8.1
87.00741	2.2
89.01318	1.3
91.02882	1.7
95.04890	5.4
96.72383	1.4
97.02818	3.1
97.06461	2.9
98.19710	2.4
99.04384	2.6
99.08053	1.8
102.87035	1.2
106.03963	2.8
107.04932	2.5
109.02802	1.4
109.06474	16.8
110.02352	1.3
111.00791	1.8
111.04409	1.9
111.08038	1.8
113.02321	7.0
116.02445	1.5
118.03941	1.3
119.08545	3.1
121.06490	1.8
125.02314	2.8
125.06018	1.6
125.09618	1.5
127.03902	6.0
127.11233	1.8
130.03979	3.4
131.03528	3.2
132.05479	1.3
135.08052	31.0
136.08377	2.4
137.05957	2.4
137.09619	12.8
139.03879	2.3
145.03990	1.7
153.09128	2.4
155.10706	10.9
156.05646	1.5
157.05077	3.7
158.03490	3.3
162.83865	1.8
163.07553	5.2
171.10194	1.9
172.05080	3.9
173.04651	3.5
175.83115	1.3
181.08614	100.0
182.08965	8.8
199.06085	13.4
199.07773	1.5
199.08095	1.3
199.09711	10.3
199.13339	10.0
199.16983	3.8
199.80327	1.3
200.05788	1.5
200.10083	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0969
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
52.25196	0.2
59.01260	0.3
65.01278	0.2
69.27335	2.0
71.01248	0.2
72.81171	0.2
73.02814	3.0
83.04864	0.2
85.02813	0.4
93.98264	0.2
97.06510	0.2
99.04421	0.2
120.88822	0.2
122.78844	0.2
135.08047	1.5
137.09613	9.2
138.09959	0.9
155.10677	100.0
156.11009	7.3
172.04976	0.2
181.08568	0.3
199.04234	0.2
199.06119	0.5
199.09679	5.7
200.10068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1333
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
50.10229	0.8
55.01749	2.8
57.03314	3.7
59.01248	6.9
61.98706	13.3
65.00144	1.1
67.01754	2.9
68.99680	0.8
69.03315	3.2
69.98342	2.8
69.98755	1.2
71.01268	4.1
71.04897	6.1
72.99169	4.6
73.02805	3.9
80.02549	1.2
81.03347	1.7
83.01263	2.8
83.04888	4.2
85.02812	5.4
87.00764	1.4
91.87598	0.8
92.99698	1.9
93.03336	1.1
95.01258	1.3
95.04910	3.0
97.02832	2.0
97.06433	1.0
99.00773	4.0
99.04397	3.5
99.08037	2.8
109.02859	1.7
109.06455	1.4
110.02366	1.1
111.00773	4.2
111.04412	2.1
111.08050	1.8
113.02321	6.0
113.05966	1.0
115.92036	0.8
123.04387	2.1
125.02325	2.2
125.05996	1.3
125.09548	0.9
127.00275	2.0
127.03918	6.8
127.11153	5.9
129.01819	1.0
137.05948	3.0
137.09599	4.0
139.03906	3.2
143.03458	0.9
151.11171	2.1
153.05473	1.0
153.12752	19.3
153.13756	0.7
155.07024	2.5
155.10725	12.7
155.14325	100.0
156.14662	5.5
156.89351	1.2
158.92117	0.8
162.83838	9.9
163.83784	1.1
164.83533	7.6
164.95416	0.9
171.10156	1.8
171.13800	1.2
181.05019	2.3
181.08696	2.1
181.12259	4.2
198.90675	3.4
199.04077	2.1
199.06050	11.7
199.07677	1.3
199.09680	10.2
199.13327	56.6
199.16917	8.8
199.80400	7.0
200.03468	2.4
200.13692	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	8.9
61.98693	11.7
65.01337	4.7
67.01762	3.2
69.03320	4.5
71.01233	3.4
71.53606	5.9
73.02810	3.6
78.95778	3.2
81.03323	3.5
83.04920	3.9
85.02817	3.7
95.01257	10.8
99.39825	3.4
106.03992	3.3
109.02839	8.0
109.06451	3.3
116.92741	5.3
121.02866	10.2
123.00771	40.4
123.04385	4.3
125.02325	9.5
126.90380	10.5
130.04039	2.9
135.08060	5.2
137.02353	8.4
138.03096	11.5
143.69035	3.3
150.85379	3.0
153.05487	12.7
153.09109	10.2
153.12698	9.1
154.45445	3.3
156.05563	3.7
157.05139	5.4
160.84117	43.7
162.83818	100.0
166.99763	23.5
169.12262	19.7
171.06662	10.4
179.03407	5.6
179.36354	3.3
182.02132	60.7
197.02010	18.4
197.04559	29.5
197.08084	13.9
197.09967	4.0
197.11751	94.8
197.80737	55.8
198.04088	4.9
198.07722	6.6
198.12151	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55848	0.4
55.01781	0.4
59.01245	1.0
61.98703	1.2
69.03336	0.7
70.91332	0.7
70.91661	0.6
71.04886	1.0
83.01231	0.6
83.04892	0.8
89.49406	0.5
95.01249	1.0
95.04911	0.6
97.06470	13.8
98.06769	0.8
99.08033	4.6
99.77577	0.4
107.04885	0.5
107.06139	0.4
109.02858	1.0
109.06495	0.6
111.08039	0.6
116.92772	0.9
121.02825	1.1
122.03619	1.6
123.00749	4.3
123.04444	0.9
125.02329	0.9
125.09612	0.9
126.03109	0.6
126.90373	1.0
135.08075	0.6
137.02345	0.9
137.09645	2.2
138.03105	0.6
151.11197	1.7
153.05492	0.9
153.12756	100.0
154.13086	8.3
160.84148	4.5
162.83821	13.9
166.99780	3.7
169.12283	1.3
171.06738	0.6
175.62602	0.5
179.10699	19.9
180.11024	2.4
182.02097	5.0
197.01956	1.0
197.04520	2.7
197.05998	0.4
197.08115	1.8
197.11771	11.0
197.15385	0.5
197.80757	6.8
198.07655	0.6
198.12122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.82806	0.4
59.01250	2.2
65.01304	0.6
69.03326	2.8
69.27443	0.7
69.27839	3.7
69.86819	0.4
71.01274	0.5
75.98575	0.4
81.03355	0.5
83.04892	1.1
94.98697	0.3
95.01228	0.8
97.06449	0.8
100.41145	0.5
110.02350	0.4
111.04387	0.4
112.01527	0.4
121.02882	0.7
123.00775	3.9
125.02331	0.7
125.09595	0.8
126.90371	0.9
130.04004	0.5
135.08099	0.6
137.02367	0.6
137.09633	0.6
138.03082	1.2
141.09073	1.2
151.03839	0.4
151.11134	1.2
153.05492	1.2
153.09125	2.5
153.12746	4.5
160.84111	2.8
162.83809	6.6
165.01868	0.4
166.99765	2.4
169.12250	18.7
170.02289	0.4
170.12576	1.2
171.06680	1.0
178.99809	0.6
179.03423	0.6
179.10670	1.5
182.02136	5.6
183.01483	0.5
194.75313	0.4
197.04466	2.9
197.11755	100.0
197.80710	3.6
198.07735	1.0
198.12097	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.097
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
54.11689	0.5
55.01754	0.9
57.03309	1.7
59.01245	4.0
61.98686	0.7
64.19250	0.6
65.01317	3.2
65.99706	1.2
66.00861	1.0
67.01756	1.2
69.03328	1.7
71.01259	3.9
71.04877	3.5
71.53560	0.8
72.99160	1.1
73.02818	7.4
77.01323	0.7
83.01274	1.6
83.04900	3.1
84.02031	3.3
85.02825	7.2
86.03590	1.9
87.00781	1.1
89.01303	1.2
91.02903	1.5
94.60358	0.6
95.04913	2.1
97.02819	1.2
97.06458	4.6
99.00759	2.7
99.04385	2.4
99.08039	2.5
101.02319	0.8
105.04498	1.3
106.04002	2.1
111.00743	2.1
112.01588	0.7
112.05180	6.8
113.02328	2.9
115.07516	4.1
116.02426	1.2
119.02428	1.1
125.09592	2.2
127.03907	2.6
127.07539	2.7
127.11188	6.2
129.01846	5.8
130.02608	30.4
130.03993	3.0
134.03517	1.2
137.05966	1.2
137.09616	13.2
138.09964	0.8
139.03922	1.7
145.03976	1.2
146.03468	1.1
153.09135	1.2
155.10681	100.0
156.11029	7.4
157.05127	3.0
158.03493	1.8
162.83835	0.9
164.83545	1.6
171.06758	1.3
171.10205	0.8
172.05064	4.5
172.06331	1.2
173.04602	2.4
173.08202	0.8
181.04999	1.1
181.08644	4.7
188.55710	0.7
199.04172	1.2
199.06100	8.9
199.07712	0.8
199.09703	10.4
199.13341	6.4
199.17033	2.9
200.03200	0.9
200.05769	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0197
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
51.14325	0.4
57.03325	0.7
59.01244	1.8
61.98712	1.9
64.01781	0.7
65.00179	0.6
65.01318	0.9
65.03832	1.6
65.99691	0.5
66.03358	0.6
67.01754	0.6
69.03315	0.7
69.03931	0.3
70.96557	0.4
71.01263	0.5
71.53632	0.7
73.19807	0.3
75.74997	0.4
77.44009	0.4
78.95747	0.4
81.03337	1.0
83.01247	0.9
83.04898	0.7
85.02833	0.8
88.01816	0.4
93.03329	1.7
95.01286	2.1
95.04877	0.4
95.37361	0.4
97.02824	0.7
97.06512	0.6
100.39873	0.4
103.39715	0.4
107.04871	0.6
109.02837	14.4
109.06496	0.6
110.02361	0.8
110.03085	0.4
111.00748	0.8
111.04409	1.3
112.01504	0.6
116.92744	1.7
121.02811	2.0
122.02316	0.6
123.00773	5.7
123.04403	0.9
125.02356	1.9
125.05966	0.6
126.90388	1.5
135.08040	1.1
135.27017	0.4
137.02341	22.1
137.05896	0.5
138.01849	1.3
138.03108	1.9
139.00253	0.6
139.03822	0.5
140.03413	4.2
141.03751	0.4
150.01884	3.3
151.03833	0.8
153.01854	0.8
153.05470	1.9
153.09119	1.7
153.12733	0.9
155.03467	0.5
156.05582	0.5
157.05118	0.4
160.84128	3.3
162.83826	10.4
164.01065	0.7
166.01358	0.9
166.99857	4.1
167.02139	9.8
167.36285	0.4
168.02538	0.6
169.12212	1.2
171.06670	0.6
178.99829	0.9
179.03448	1.2
179.07097	0.4
179.10646	0.4
180.01686	13.8
181.02010	0.8
182.02109	9.3
182.05676	0.5
185.33405	0.4
197.01973	100.0
197.04407	3.2
197.07970	3.8
197.09743	0.8
197.11726	9.1
197.80739	5.9
198.02325	4.8
198.07660	0.7
198.11990	0.5
199.01147	0.6
209.04091	0.4
212.00687	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.42171	0.3
57.03313	0.4
59.01255	2.1
60.14302	0.3
61.98688	0.8
68.99649	0.4
69.03323	2.4
70.40517	0.3
71.01259	0.4
71.44991	0.5
78.95769	0.4
80.52436	0.3
81.03340	0.3
83.04903	1.7
85.02807	0.4
95.01263	1.1
95.04892	0.7
96.95934	0.4
97.02814	0.3
97.06473	0.8
99.04356	0.3
99.08057	0.5
103.61761	0.3
107.04937	0.4
108.02028	0.3
108.04408	0.3
109.02831	0.8
109.06468	0.6
111.00798	0.6
111.04388	0.6
112.03943	0.4
116.92741	1.2
117.92767	0.3
121.02833	0.9
123.00769	3.7
123.04411	0.7
123.08073	0.6
125.02332	1.4
125.06017	0.4
125.09599	0.7
126.90393	0.9
135.08055	0.6
136.03949	0.3
137.02383	0.6
138.03094	0.9
138.05505	0.3
141.09116	1.1
144.65753	0.3
151.11192	1.0
153.01894	0.3
153.05496	0.8
153.09145	2.3
153.12752	5.3
154.13100	0.5
159.60748	0.3
160.84128	2.8
162.83821	8.1
164.01041	0.3
166.99797	2.5
169.12263	19.3
170.12614	1.7
178.99818	0.4
179.03401	0.7
179.10719	1.9
182.02135	5.4
183.02527	0.4
196.89355	0.4
197.04579	2.5
197.11769	100.0
197.80704	4.3
198.07776	0.6
198.12117	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1384
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
50.47249	0.1
51.00017	0.2
55.01734	0.2
56.81857	0.1
57.03315	0.3
57.80943	0.1
59.01247	0.3
61.98705	1.4
64.70967	0.1
64.89500	0.2
66.03343	0.6
67.57349	0.1
69.03311	0.3
71.01270	0.2
71.53693	0.2
83.04902	0.2
93.03322	0.3
94.04110	0.2
95.04872	0.2
96.95877	0.2
97.02831	0.4
99.08088	0.2
107.04919	0.2
108.01982	0.1
109.02841	0.5
109.06476	4.1
110.02370	0.2
110.06808	0.2
111.08038	3.8
121.02824	0.7
122.03629	0.8
123.00761	0.3
123.04445	1.0
123.08015	0.2
124.01544	0.3
125.02378	0.7
125.09626	0.9
126.06601	0.3
133.06526	0.2
135.04465	0.3
135.11667	0.5
136.01561	0.2
136.05186	0.4
137.02322	0.5
138.06772	0.5
139.07550	0.3
149.05939	0.2
150.03104	1.0
151.00221	0.2
151.03946	0.8
151.07529	0.7
151.11157	0.7
152.10654	0.2
152.91638	0.3
158.84691	0.3
160.20412	0.2
160.84125	7.7
165.01839	0.8
165.05452	0.6
165.12823	0.3
167.14326	7.2
168.14684	0.5
177.05510	0.4
179.09108	0.3
179.10689	5.6
180.04219	1.7
180.11235	0.9
183.13858	0.3
194.91582	0.2
195.02904	0.7
195.06694	2.1
195.13835	100.0
195.81017	3.1
196.06090	0.2
196.14174	9.8
210.72173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73808	0.4
57.03320	0.6
59.01255	2.8
65.01311	0.5
65.03835	2.3
69.03322	0.8
71.01246	2.6
71.53147	0.5
71.53559	0.4
72.99165	0.7
73.02817	2.1
79.05399	0.5
81.03327	1.2
81.04470	0.5
83.01234	1.0
85.02832	2.3
85.99966	0.4
86.35687	0.4
87.00755	2.5
89.02323	0.5
89.03851	3.9
93.03339	1.6
95.01230	0.8
95.04910	3.9
97.02813	0.9
99.00732	1.3
101.02325	3.0
105.03355	5.3
107.04914	1.7
108.02058	1.1
108.04435	0.5
109.02850	1.1
113.02343	0.5
121.02836	2.2
121.06444	0.5
122.03590	0.9
123.00777	1.0
123.04410	4.3
125.02351	1.2
133.02867	4.7
134.03618	5.2
135.04420	30.3
136.01559	2.1
136.04779	1.8
137.02339	2.1
139.03847	0.5
140.01056	0.5
141.01822	0.6
149.02397	1.0
149.06009	2.5
149.09593	0.7
150.03108	3.0
150.04201	0.5
150.06599	0.5
151.03932	11.1
153.01828	0.6
159.68610	0.4
161.02354	28.0
161.04349	3.5
163.03918	100.0
164.04269	7.7
165.01813	0.7
165.05482	1.0
166.06116	0.8
177.01880	4.4
178.02673	16.4
178.06265	53.6
179.03416	54.2
179.06563	4.6
193.01315	1.4
193.04958	8.2
193.07036	2.1
193.08568	5.3
193.12160	0.5
194.05814	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1019
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
52.93237	1.6
57.03315	4.8
59.00991	2.2
59.01250	26.0
66.03347	4.5
66.04404	2.0
67.01737	1.8
67.63528	1.5
69.03326	100.0
69.35442	6.0
69.35861	8.0
70.03692	1.7
71.01242	1.6
79.80180	1.7
80.79815	1.5
81.03334	3.5
83.01263	2.3
83.04900	7.5
90.74807	1.7
93.03353	7.9
94.56499	1.6
94.57214	1.5
95.04890	8.5
97.06454	7.2
107.08507	2.7
108.02063	3.5
108.05717	1.9
108.87246	1.6
111.04420	2.0
113.05993	2.7
121.02808	3.4
121.06468	4.0
122.03613	2.2
123.04404	6.4
123.08029	3.2
127.73212	1.7
129.04634	1.7
133.10136	4.9
135.04411	2.0
136.05144	3.2
137.02347	4.0
139.03929	2.5
149.09607	6.6
150.03111	5.5
151.00253	1.9
151.03923	3.2
151.07591	4.3
151.11179	44.3
152.11591	3.9
156.05000	1.8
159.08095	8.6
160.84119	19.9
165.01813	3.0
165.05524	3.1
167.10715	11.7
169.05061	3.1
177.05528	2.4
177.09125	29.5
178.09531	2.0
180.04263	8.0
195.02930	5.9
195.06575	13.7
195.10191	55.5
195.81039	7.0
196.06168	5.0
196.10437	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0555
Annotation	Quinic acid
Peak:m/z	Relative Intensity
50.53955	0.1
55.04047	0.2
57.03317	0.5
59.01249	2.6
60.99155	0.2
67.01762	0.9
69.03331	0.8
69.49095	1.3
71.01251	2.0
73.02821	0.7
81.03331	1.0
83.04888	1.1
85.02822	23.2
86.03154	0.7
87.00751	4.7
93.03335	8.1
94.03719	0.2
95.01218	0.2
95.80121	0.2
99.00798	0.2
99.04385	1.1
101.02319	0.3
109.02832	1.9
111.00780	1.2
111.04401	2.4
112.04691	0.2
113.02286	0.4
119.04859	0.2
127.03906	4.9
128.04222	0.2
134.03445	0.2
137.02324	0.5
137.03381	0.2
145.04982	0.2
147.04390	0.4
153.01883	0.3
155.03381	0.4
163.03969	0.3
171.02882	1.4
173.04463	2.4
176.01053	0.6
191.05539	100.0
192.05881	5.8
201.46016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0553
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
57.03325	2.0
58.97836	0.2
59.01249	4.2
60.99157	0.2
61.25163	0.2
67.01759	2.0
69.03329	0.9
69.92861	0.3
70.36821	0.9
71.01260	3.4
72.99192	0.4
73.02822	1.4
79.42744	0.3
81.03336	1.2
82.88701	0.2
83.01275	0.4
83.04895	1.1
84.73575	0.3
85.02822	34.2
86.03173	1.2
87.00751	16.2
88.01083	0.5
91.24442	0.3
93.03333	9.7
94.03667	0.6
95.01263	0.5
99.00782	0.7
99.04402	1.4
101.02293	0.3
109.02839	2.4
111.00762	16.2
111.04402	2.4
112.01099	0.8
112.98685	0.9
113.02293	0.4
127.03909	5.2
129.01837	1.3
137.02339	0.6
153.01929	0.3
155.03424	0.5
171.02914	1.2
173.04509	1.9
191.05545	100.0
192.05867	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1333
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
54.85974	0.3
55.01743	0.6
55.78905	0.3
57.03327	1.0
59.01255	1.5
61.98703	1.0
63.27472	0.3
65.01327	0.3
69.03344	0.5
70.47971	0.8
70.48306	0.4
71.01257	1.3
71.04902	0.4
72.99186	0.8
75.00774	0.3
78.91386	0.3
83.01275	0.3
83.04881	0.8
85.02805	0.5
87.00771	0.4
87.04371	0.3
90.97013	0.3
93.99821	0.3
95.04854	0.5
97.06465	2.1
99.00767	0.6
113.09619	0.7
115.03881	0.4
115.08624	0.4
123.08022	1.1
125.05972	0.9
125.09611	18.8
126.09947	1.3
132.04451	0.4
139.11172	3.7
141.12749	100.0
141.86719	2.7
142.13092	7.1
143.04918	0.5
143.07022	0.8
144.04459	0.9
159.04391	0.8
159.87794	1.6
160.03909	0.5
168.88789	0.4
168.97867	0.4
169.12294	2.4
170.48448	0.3
185.11783	1.4
185.53961	0.3
186.95486	0.4
187.03964	1.4
187.06253	2.2
187.07713	1.5
187.09727	9.7
187.13316	70.7
188.03464	0.6
188.13669	6.4
191.64163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1333
Annotation	3-Hydroxydecanoic acid
Peak:m/z	Relative Intensity
57.03326	0.8
59.01250	100.0
60.01582	1.9
60.99206	0.3
61.98708	1.5
65.01327	0.9
65.99692	0.4
69.03313	0.5
69.36351	1.7
69.36775	1.2
71.01249	1.8
71.04910	0.5
72.99195	0.5
73.02802	0.4
78.95804	0.3
83.04900	0.9
85.02856	0.5
87.00752	0.7
90.97029	0.8
95.04904	0.4
97.06462	3.0
99.00732	0.5
99.04384	0.4
100.31861	0.3
102.57233	0.3
111.04434	0.4
111.62432	0.4
115.03841	0.4
116.01311	0.4
116.48911	0.4
119.02375	0.4
119.32020	0.3
123.08038	1.5
125.05961	1.1
125.09610	22.0
126.09937	1.4
132.98015	0.5
133.03963	0.4
141.12778	0.9
141.86717	3.7
142.08704	0.4
143.07010	0.4
143.10649	0.6
144.04424	0.9
145.05049	0.8
146.03532	0.5
159.04405	0.8
159.87779	2.6
160.05032	1.4
161.04683	0.4
168.88797	0.7
169.08601	0.5
172.05147	0.5
186.85457	0.4
187.03992	1.6
187.06197	2.7
187.07614	2.0
187.09674	8.9
187.11404	0.7
187.13307	10.7
187.85901	0.5
188.03455	1.2
188.09962	0.9
188.13654	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38960	0.4
56.11927	0.4
57.03317	4.1
59.01252	4.1
60.99153	0.4
67.01749	2.4
69.03348	0.8
71.01258	3.3
73.02814	1.6
74.52808	0.4
81.03333	1.0
83.04900	1.4
85.02823	42.9
86.03171	1.0
87.00753	32.0
87.87961	0.4
88.01090	0.6
93.03336	8.9
94.03665	0.7
99.00782	0.7
99.04405	0.9
101.02334	0.6
106.77549	0.4
109.02814	2.4
111.00766	54.2
111.04403	2.8
112.01086	2.4
112.98657	1.2
113.02374	0.4
127.03910	5.5
129.01828	3.5
137.02335	0.5
143.03499	0.5
155.03502	0.5
171.02922	1.5
173.00861	0.6
173.04440	2.7
191.01962	4.9
191.05536	100.0
192.02187	0.5
192.05913	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.2
59.01254	1.9
62.05889	0.2
62.26328	0.2
65.01351	0.2
67.01762	0.8
69.03324	0.3
69.69461	0.5
69.69875	1.3
71.01244	1.3
73.02823	0.6
80.77298	0.2
81.03340	0.8
81.04450	0.3
83.04897	0.6
84.80874	0.3
85.02824	15.1
86.03174	0.4
86.46207	0.2
87.00752	6.3
88.01094	0.3
92.41868	0.2
93.03331	4.6
93.03855	0.4
93.30851	0.3
94.03635	0.3
94.41885	0.2
98.19825	0.3
99.04387	0.4
101.02313	0.3
103.73165	0.2
106.03986	0.3
109.02834	0.8
111.00766	8.7
111.04416	1.5
112.01089	0.3
113.02348	0.4
119.04929	2.2
120.79794	0.3
121.02844	100.0
122.03188	5.6
127.03912	2.5
129.01775	0.6
135.04401	0.3
136.82689	0.2
147.04417	6.5
148.04871	0.6
162.46599	0.2
163.00227	0.3
163.03932	0.7
164.04642	0.3
171.02888	0.6
173.04480	1.3
176.01065	1.5
177.01518	0.3
191.03474	7.2
191.05525	51.5
192.03693	0.7
192.05893	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1176
Annotation	Epomediol
Peak:m/z	Relative Intensity
50.59887	1.6
59.01269	3.2
65.01308	5.9
65.99726	2.4
69.03322	4.4
69.86480	4.7
69.86900	7.0
71.01247	2.3
71.04858	2.4
72.99169	2.2
74.73074	1.6
83.04884	1.9
90.00886	2.1
90.37007	1.9
91.02866	3.7
97.02890	2.1
97.06459	3.4
99.00759	2.7
113.06038	1.8
116.02448	4.8
123.08081	4.0
125.02328	2.6
130.04010	2.4
139.11189	45.4
140.11548	4.3
141.09096	11.4
144.05580	3.9
157.05217	2.2
158.03490	6.1
158.07132	2.0
159.06641	2.4
185.04555	7.4
185.08234	5.1
185.11754	100.0
186.07825	2.8
186.12097	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0239
Annotation	(E)-3-(Methoxycarbonyl)pent-2-enedioate
Peak:m/z	Relative Intensity
53.00191	1.8
55.01758	21.1
57.03318	6.5
58.78527	1.6
59.01250	14.3
65.00172	7.3
67.01758	3.2
68.99683	28.3
69.03323	2.3
71.01250	99.0
71.52535	2.6
72.69694	1.4
72.99182	11.7
73.02814	3.6
75.00736	8.7
78.95763	4.3
80.99706	3.6
83.01256	29.5
83.04877	1.5
84.01593	1.7
85.02828	9.9
87.04388	1.6
88.03919	2.4
89.02324	14.4
91.47303	1.5
96.99192	13.2
97.06482	9.8
97.99979	7.0
98.02355	5.4
99.00755	100.0
100.01089	2.2
100.98720	2.6
101.02303	12.3
102.05473	12.2
103.00210	2.0
103.99678	1.5
110.98432	2.2
111.00759	14.2
113.02293	1.8
114.05499	3.3
115.00266	2.1
116.07017	1.6
117.01835	5.8
123.08035	6.5
124.98682	4.4
125.02319	9.0
125.09613	70.2
125.99461	8.4
126.09956	4.9
127.00258	44.7
128.00961	1.5
128.03441	9.4
129.01828	8.7
136.98694	2.3
141.01831	2.5
142.05003	5.1
142.08617	2.9
142.99733	8.6
143.04826	1.8
144.06561	4.4
145.01346	3.9
154.99770	15.2
157.01338	7.1
158.02133	2.6
159.04478	3.8
169.01346	19.4
169.04897	1.8
187.02426	26.2
187.03911	3.7
187.06007	3.9
187.07840	2.2
187.09685	27.0
187.13348	2.9
188.03055	5.9
188.05551	3.9
188.09178	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1175
Annotation	MKN-004C
Peak:m/z	Relative Intensity
55.01749	2.3
57.03325	8.8
59.01240	4.6
60.64124	0.8
65.01299	1.5
69.03329	3.4
70.49759	2.0
71.01236	4.2
71.04890	35.2
72.55076	0.8
79.28870	0.8
81.03338	1.5
83.04893	6.6
85.06439	1.8
91.02892	0.9
97.02822	2.5
97.06460	2.1
99.00742	4.1
107.72341	0.8
111.04366	1.0
111.08035	5.7
113.09607	100.0
114.09877	4.9
121.05108	3.6
123.08044	2.0
132.05534	1.3
132.26062	0.8
137.09631	1.3
139.11185	40.8
140.11501	2.6
141.05495	1.2
141.09145	6.7
141.12749	95.3
142.13091	7.3
144.04449	1.0
144.05525	1.9
158.03499	1.2
158.07176	1.2
159.06664	1.6
167.10686	14.2
167.37985	0.9
168.10971	1.2
172.94427	0.9
185.00850	0.9
185.04489	3.3
185.06004	1.9
185.08221	2.5
185.11757	66.0
186.07765	2.0
186.12129	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1176
Annotation	3-Oxodecanoate
Peak:m/z	Relative Intensity
55.01742	1.4
56.06225	1.2
57.03325	68.9
58.03651	1.9
59.01234	3.8
60.04297	1.2
69.03321	4.2
70.44804	5.2
81.49637	1.3
83.04894	2.5
83.50506	1.1
85.06493	1.4
85.54535	1.2
87.75477	1.2
97.06507	2.4
98.20534	1.6
104.35371	1.2
113.09600	7.4
121.05137	2.9
123.04391	2.2
123.08043	2.7
125.09608	4.7
127.11169	3.3
137.09627	2.8
139.11189	19.8
140.11517	1.4
141.09131	6.2
141.12755	100.0
141.26340	1.1
142.13092	9.0
158.03508	1.9
185.08203	4.8
185.11754	89.8
186.07784	1.7
186.12141	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1176
Annotation	3-Oxodecanoate
Peak:m/z	Relative Intensity
55.01745	0.8
57.03323	100.0
58.03666	2.7
59.01250	2.6
61.98695	0.7
69.03323	4.7
71.01263	1.5
71.04900	1.1
71.33994	0.9
72.99195	0.8
79.22428	0.7
83.04890	0.6
85.02830	0.9
85.06475	1.2
95.04900	0.8
97.02841	0.9
97.06457	2.0
99.00739	0.7
99.92510	0.6
102.93803	0.8
113.02390	0.7
113.09600	6.6
114.09897	1.0
116.91828	0.7
121.05106	0.7
121.44164	0.7
123.04375	0.8
123.08052	3.2
125.02325	1.3
125.09620	5.0
127.11165	4.8
134.36530	0.6
137.09601	0.8
139.11188	6.9
141.05527	0.6
141.09120	4.7
141.12746	60.2
142.13062	4.0
155.10738	0.8
157.12271	2.3
167.03375	1.1
185.04414	2.0
185.05981	1.1
185.08174	2.1
185.11745	56.8
185.15335	2.6
186.03165	0.9
186.07686	1.4
186.12216	4.4
195.96318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1019
Annotation	Crocusatin B
Peak:m/z	Relative Intensity
52.41941	0.3
55.01756	6.2
57.03319	1.1
58.81259	0.3
59.01244	1.1
61.98690	0.9
69.03323	8.3
70.28893	1.6
71.01241	0.6
71.04890	23.5
72.05231	0.7
73.03497	0.3
73.64483	0.3
77.20831	0.3
80.02547	1.7
81.03328	1.7
83.04889	4.1
85.02746	0.4
85.06487	0.5
94.02837	0.8
95.04907	0.7
96.04427	0.5
97.02828	0.9
97.06445	0.7
98.02356	0.7
109.02866	0.5
109.06461	1.1
111.00742	1.0
111.04393	1.1
111.08046	1.6
112.03923	0.9
121.06469	1.3
121.09908	0.4
122.02348	0.9
123.04366	0.7
124.01572	1.2
124.03916	1.3
124.98706	0.6
125.02303	0.5
130.03984	0.4
136.03981	0.4
137.09604	7.2
138.09943	0.5
139.00267	0.6
139.03923	0.6
139.11179	100.0
140.07077	1.1
140.10429	0.5
140.11514	7.8
152.98245	0.7
155.10661	0.7
156.05577	0.4
157.05083	0.8
165.01811	0.6
165.05383	0.6
168.00497	1.7
183.03017	1.8
183.06636	2.7
183.10182	14.2
183.13750	1.1
184.03809	0.4
184.06091	1.2
184.10426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
50.86208	0.5
54.66722	0.6
57.03321	2.0
59.01245	3.5
61.98708	0.9
65.01317	1.6
67.01765	0.8
68.99677	0.6
69.03327	1.6
70.02820	0.6
71.01262	1.6
73.02810	0.6
81.03314	0.6
83.04897	2.2
84.04423	1.1
85.02833	1.6
89.01286	0.7
89.06725	0.6
90.03371	0.6
91.02911	0.7
93.03333	0.7
93.39790	0.5
94.02866	2.3
95.01284	1.4
95.04882	1.4
97.02833	1.5
98.02331	1.1
98.05994	0.6
101.02278	0.6
108.04443	1.3
109.02826	2.0
109.06454	0.7
111.00742	1.1
111.04427	2.8
111.08042	0.5
112.03912	2.3
113.06004	0.8
115.02901	0.9
119.86320	0.6
121.06503	3.4
122.02370	1.4
123.00756	1.0
123.04414	1.3
124.01552	2.5
124.03922	2.5
124.98705	1.1
125.05917	0.6
130.04025	0.9
136.03912	0.8
137.02280	0.7
137.05904	0.6
139.00253	1.4
139.03882	1.2
139.07556	2.3
139.11163	2.3
140.01030	0.9
140.07062	3.1
141.01863	1.1
141.05473	0.7
142.04010	1.5
143.04778	1.4
149.73897	0.5
152.98209	1.8
156.05588	3.6
157.05077	3.9
164.98111	1.0
165.01831	1.6
165.05449	1.7
168.00546	4.0
168.03027	0.7
175.03810	0.9
183.00465	1.0
183.02888	3.7
183.06602	8.8
183.10423	4.7
183.13824	100.0
184.06136	4.0
184.09766	1.0
184.14177	9.0
192.72650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1175
Annotation	[1S-(endo,endo)]-1-(Hydroxymethyl)-7,7-dimethyl-bicyclo[2.2.1]heptane-2,3-diol
Peak:m/z	Relative Intensity
50.18068	0.4
55.25006	0.3
58.02846	0.4
59.01245	3.4
65.01314	1.5
65.99709	1.0
69.03319	1.3
71.01244	1.3
83.04898	1.1
85.02827	0.5
87.14861	0.3
91.02898	0.6
97.02871	0.4
97.06462	0.8
98.20567	0.8
116.02438	0.7
121.05079	0.8
123.08083	0.7
130.04008	0.6
132.05595	0.5
133.03993	0.4
137.09593	1.2
139.11185	1.4
141.09090	2.1
141.10040	0.4
143.03535	0.5
144.01973	0.4
144.05602	1.0
145.05098	0.5
149.09645	2.3
155.10678	37.5
156.11009	3.0
157.05099	0.6
158.03519	1.4
159.06659	1.0
167.10678	32.2
168.10999	3.2
183.10234	0.9
185.04544	1.1
185.08415	2.1
185.11748	100.0
186.07831	0.7
186.12108	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0342
Annotation	Caffeic Acid
Peak:m/z	Relative Intensity
54.62834	0.2
55.01750	0.6
57.03310	0.6
58.00447	0.3
59.01245	3.8
61.20073	0.2
61.36457	0.2
69.03313	1.1
69.80542	1.1
71.01253	4.5
72.99165	0.5
73.02821	1.8
75.00747	0.4
83.01250	1.0
85.02823	3.9
87.00746	16.5
88.01081	0.4
89.02312	1.0
89.03831	0.4
91.05393	0.5
93.03351	0.3
95.01234	0.6
95.04888	0.4
96.95897	0.5
97.02821	1.7
99.00755	4.7
101.02314	1.8
106.04044	0.3
107.01283	0.4
107.04917	1.7
108.02006	0.3
109.02868	0.3
109.03973	0.3
113.02319	0.7
117.01833	2.6
117.03342	0.6
120.79469	0.2
123.04370	0.4
125.02347	2.1
129.01860	0.3
133.02824	0.3
134.03633	6.9
135.04411	100.0
136.04752	6.5
137.03236	0.3
141.01828	1.0
151.00307	0.3
151.03902	0.4
159.02863	0.6
161.02444	0.3
161.04462	7.8
162.04823	0.4
164.01036	0.3
177.03979	0.3
179.03426	15.8
179.05530	7.4
179.06862	0.3
180.03798	1.3
180.05869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0342
Annotation	cis-Caffeic acid
Peak:m/z	Relative Intensity
55.01755	3.2
57.03319	3.1
58.66705	0.7
59.01254	20.7
63.02237	0.7
64.60276	0.7
65.03840	5.5
68.32793	0.7
69.03329	5.8
71.01255	28.2
72.99179	2.4
73.02822	11.4
74.24423	0.6
75.00748	2.0
79.01751	0.9
79.05405	1.6
81.03315	1.8
81.04459	0.8
81.30262	0.7
83.01250	6.6
83.02384	1.2
85.02823	20.5
86.03163	1.1
87.00753	100.0
88.01089	2.0
89.02328	5.4
89.03837	8.9
93.03339	3.1
94.02904	1.0
95.01267	3.9
95.04907	11.1
97.02835	7.7
98.20569	1.3
99.00758	26.7
101.02325	10.7
104.72659	0.7
105.03345	15.1
107.01282	1.5
107.04903	2.9
108.02061	2.3
109.02859	1.4
109.03924	0.8
111.00778	0.8
113.02325	3.9
117.01826	15.5
117.03219	0.9
118.03951	0.8
121.02856	1.9
123.00787	1.6
123.04417	9.3
125.02330	11.9
129.01932	1.5
131.03403	1.0
133.02861	5.5
135.04416	11.9
135.08023	1.1
136.01570	5.6
136.04886	1.8
137.02335	0.8
137.03439	1.4
141.01843	7.3
147.03006	0.8
151.00282	1.6
151.03923	21.8
151.07625	0.9
152.04338	1.6
159.02931	4.2
161.02354	41.9
161.04471	47.6
161.44164	0.7
162.02687	2.8
162.04840	2.9
164.00998	3.3
164.04593	1.4
171.48114	0.8
171.50261	0.8
177.03960	2.6
178.99826	1.3
179.03439	20.6
179.05530	49.4
179.06944	2.4
179.10632	1.3
180.03786	2.1
180.05914	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07236	0.3
53.00188	0.5
55.01762	2.2
57.03326	2.6
58.00456	0.9
59.01249	3.5
60.99176	3.6
65.03827	1.2
67.01762	23.9
68.02097	0.6
68.99698	0.9
69.03323	5.6
70.54131	0.8
71.01254	29.6
71.04887	0.6
72.01582	0.7
72.99178	4.2
73.02819	13.0
75.00746	0.8
81.03329	3.1
83.01261	2.8
83.04899	6.1
83.64632	0.3
85.02814	3.3
87.00758	1.8
93.03335	100.0
94.03666	5.1
95.01269	0.6
96.99187	1.1
97.02824	0.6
99.00758	11.2
99.04400	2.8
100.01079	0.3
100.98675	0.5
101.02311	1.0
105.15961	0.3
109.02840	1.2
111.00779	1.2
111.03629	0.7
111.04405	14.5
111.08034	4.0
112.98687	2.7
113.02309	0.5
115.00235	2.3
115.03909	0.6
121.97414	0.3
124.98706	5.8
127.00239	0.4
129.01819	1.8
129.05400	0.4
129.09128	0.4
137.02347	5.2
142.99771	10.4
143.03410	0.9
144.00040	0.4
145.01315	1.0
145.02855	0.9
154.99774	1.4
155.03381	1.8
157.01521	0.4
173.00822	2.1
173.02342	1.0
173.04483	9.4
173.05869	0.4
173.08115	2.2
173.11807	0.6
174.03157	0.6
174.04721	0.5
174.07645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0084
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
50.39162	0.6
53.00195	1.9
55.01761	10.7
55.26455	0.6
57.03322	4.7
59.01252	7.4
60.99171	1.9
61.31731	0.6
63.91433	0.7
65.03823	0.7
65.39922	0.8
67.01757	11.8
68.99688	3.0
69.03321	2.7
69.18010	5.8
69.18415	1.5
71.01253	100.0
71.04876	0.8
71.40145	0.6
72.01587	3.0
72.99178	12.7
73.02821	16.9
75.00742	1.1
75.64957	0.6
80.99708	1.8
81.03324	1.5
83.01256	10.4
83.04904	4.3
85.02808	5.5
87.00746	6.8
93.03336	60.8
94.03675	3.0
96.96865	1.1
96.99187	4.8
99.00757	37.8
99.04409	2.7
100.01096	1.1
100.98692	0.9
101.02333	2.3
101.41284	0.7
101.74075	0.6
111.00759	8.0
111.04401	9.4
111.08038	2.2
111.08936	0.5
112.98683	17.4
113.99046	1.7
115.00264	9.2
116.74947	0.7
124.98700	27.9
127.00230	1.5
129.01837	2.6
136.96539	0.6
137.02344	5.3
142.99760	51.3
144.00131	2.0
145.01294	1.3
150.55377	0.7
154.99776	7.3
155.03389	2.3
156.00156	0.8
173.00830	15.9
173.02328	1.0
173.04457	5.8
173.08141	1.1
174.01341	1.1
182.03136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0812
Annotation	Suberic acid
Peak:m/z	Relative Intensity
50.29814	0.3
51.66993	0.4
53.71428	0.4
55.01757	0.6
57.03326	7.0
59.01256	2.5
60.99186	3.3
65.01317	2.2
65.03819	0.8
65.99715	1.3
67.01763	23.5
68.02099	0.8
68.99674	0.5
69.03330	5.1
69.53796	2.2
69.54446	0.4
71.01252	6.8
71.04896	1.0
72.99169	0.9
73.02821	11.3
81.03345	3.7
81.27692	0.4
81.55441	0.4
83.04899	17.2
84.05243	0.9
85.02818	2.5
85.06492	0.5
86.52479	0.4
87.00761	0.4
89.01316	0.4
91.02945	0.5
93.03337	100.0
94.03674	5.6
95.01260	0.6
97.72288	0.4
99.00756	5.0
99.04397	3.0
99.08026	0.5
100.21175	0.4
101.02342	0.6
109.02841	1.4
109.06476	3.8
111.00790	0.4
111.04414	14.1
111.08043	98.1
112.04751	0.7
112.08382	5.9
115.03906	0.5
118.03976	0.6
119.02408	2.0
122.03590	0.4
129.01843	1.2
129.05537	0.5
129.09100	5.5
130.04028	1.2
131.03564	0.8
132.05544	0.6
133.04001	0.5
137.02333	4.3
143.03470	1.5
145.02811	0.9
146.03488	3.3
155.03450	1.8
155.07080	1.6
173.02272	1.1
173.04517	10.8
173.08125	33.3
174.05156	0.6
174.06952	0.6
174.08414	2.3
185.89665	0.4
187.38428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07783	0.4
58.02848	100.0
59.03188	1.2
69.03329	1.2
69.71404	0.4
70.02876	0.4
71.33125	0.9
81.03346	1.1
97.02842	1.4
108.04464	0.6
122.89247	0.5
123.04436	0.4
124.01540	0.7
125.02338	22.7
125.08061	0.5
125.09626	0.6
132.86696	0.4
133.87285	0.5
139.03992	0.5
153.01479	0.8
168.03862	0.5
168.13835	7.1
169.01321	6.3
169.05052	1.2
169.12288	0.5
169.14334	0.5
172.88593	0.4
185.47040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00203	2.0
55.01756	13.3
56.93001	1.3
57.03325	33.1
59.01262	2.0
65.00198	7.6
67.01747	4.3
68.99690	25.1
69.03321	6.5
71.01250	14.3
71.51749	1.9
80.99706	2.5
81.03323	2.6
83.01270	8.2
83.04945	1.6
85.02824	41.2
88.10394	1.4
95.01213	2.3
95.04896	1.7
97.02832	8.2
97.06445	2.9
97.99953	3.0
98.02315	1.5
99.00755	45.7
107.04929	2.9
109.99979	16.5
111.00777	12.6
113.02331	68.0
114.02672	3.1
118.85791	1.5
123.04360	2.7
125.02353	20.4
125.05975	5.4
125.09608	4.1
125.99477	17.5
126.05454	1.4
127.03912	1.8
128.07100	1.9
137.99461	9.1
139.00279	8.9
140.03406	1.9
141.01828	5.3
141.47977	1.3
151.03847	2.0
153.98987	6.8
155.01872	1.6
157.01314	1.7
157.98466	3.4
169.01337	100.0
169.05064	10.3
169.08635	4.0
169.12108	1.7
170.01669	5.7
170.04337	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02475	0.3
55.01752	1.1
57.03312	0.6
59.01243	0.7
61.98695	0.4
62.26488	0.3
67.01769	0.5
68.99686	12.6
69.03327	3.4
69.39320	2.5
70.00043	0.4
71.01250	1.3
71.04900	0.9
81.03328	1.9
83.01246	0.9
83.04926	0.6
83.82803	0.3
85.02818	0.7
87.00758	0.5
93.03317	0.4
95.01282	0.6
96.99174	0.4
97.02829	4.4
97.06474	1.0
98.02372	0.5
99.00795	0.4
107.01253	0.5
107.04912	1.7
109.02830	0.8
110.02349	0.5
113.02282	0.4
114.09233	0.3
122.89277	0.9
123.00771	0.5
123.04406	1.1
123.11658	0.8
124.01581	0.6
125.02335	53.4
125.05910	1.5
125.09623	1.3
126.02674	3.4
126.06303	0.5
127.03941	0.4
127.11183	0.6
132.86691	0.7
134.86433	1.2
139.03920	0.5
139.11227	1.5
140.03406	0.3
142.03981	0.5
151.00314	0.4
151.03903	0.9
153.98985	0.9
167.10588	0.4
169.01344	16.0
169.05031	4.3
169.12251	100.0
170.01685	1.1
170.04494	0.6
170.12599	8.9
170.14021	0.7
187.89104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	9-Decenoic acid
Peak:m/z	Relative Intensity
50.28442	0.9
54.05621	0.7
69.03320	0.8
69.82277	2.5
69.82670	1.8
96.92972	1.0
97.02855	0.9
98.20472	1.2
125.02332	23.8
125.05942	1.0
126.02690	1.3
151.11211	1.1
169.01346	7.2
169.05032	1.5
169.12251	100.0
170.12602	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0814
Annotation	Amphorogynine D
Peak:m/z	Relative Intensity
56.59073	1.4
57.03319	56.7
58.02842	9.6
58.03653	1.6
59.01248	100.0
60.01573	3.3
62.01337	1.8
65.00204	2.3
65.01319	9.5
65.99697	1.9
66.03355	2.4
66.45196	1.5
68.01301	2.7
71.01247	2.0
71.04887	3.4
71.24658	3.1
74.02322	2.0
80.04919	5.3
81.67747	1.5
83.01282	1.8
83.04883	2.6
85.02828	2.9
86.81742	1.7
89.01309	7.7
90.00829	2.6
98.05978	1.8
105.04439	3.6
106.06480	2.7
108.08067	34.5
109.02856	5.3
109.06465	3.2
109.08435	2.5
109.89974	1.6
110.05983	4.5
111.04391	3.3
112.00303	8.5
116.02438	2.2
124.07578	17.2
125.09606	1.9
126.02661	2.1
126.05537	3.2
126.09128	19.2
127.03873	2.9
127.07520	3.9
127.11130	3.3
128.07027	3.6
129.05460	2.1
130.02730	1.9
130.03969	4.7
133.52773	1.5
143.02490	2.0
143.03517	7.4
143.04579	2.8
144.01900	3.7
144.05577	9.3
152.07039	5.7
170.04575	3.6
170.08145	37.1
171.01828	7.3
171.03137	3.0
171.06703	16.1
171.08138	2.9
171.08672	2.7
171.10158	42.2
171.13815	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.7
57.03308	1.9
59.01250	28.8
64.01780	1.9
65.01315	20.8
65.99718	2.7
68.99678	5.3
69.03333	2.8
70.86119	4.0
71.01254	18.8
71.89774	1.5
72.99203	1.8
73.03960	1.5
79.02338	1.7
83.04896	5.8
85.02815	6.3
85.06398	1.8
87.00757	6.4
89.01344	11.7
90.00864	3.3
91.02887	5.1
91.27991	1.5
95.04905	6.4
97.02811	2.7
97.06454	3.0
99.00758	10.8
102.00856	2.0
103.02893	1.8
106.03990	3.1
109.06447	8.0
111.00798	3.5
111.08042	5.6
113.05984	10.1
113.09627	5.8
114.05482	2.0
115.00253	5.0
115.02904	5.8
115.05874	1.5
116.02489	7.8
116.03143	1.8
116.07026	4.6
127.00258	25.8
127.07547	34.7
128.07884	2.0
129.03206	1.4
130.04002	45.1
131.02531	2.6
131.03503	19.4
131.04384	2.8
139.00276	3.1
139.07547	29.5
144.01973	1.5
146.69159	1.9
156.96873	2.4
157.01421	7.9
157.02533	2.8
157.05092	69.1
157.08607	100.0
157.12195	8.0
158.03491	15.4
158.04649	7.9
158.05827	5.1
158.07901	2.1
158.08951	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.0
59.01252	23.1
64.01797	1.6
65.01319	28.9
65.99702	2.4
66.00826	1.1
68.99684	4.4
69.03318	1.8
70.86211	2.4
71.01254	24.8
72.99180	2.0
74.31660	1.4
75.77834	1.1
77.66355	1.2
81.03312	1.4
83.04907	5.9
84.99184	2.2
85.02835	4.6
85.06450	1.8
86.02336	1.9
87.00745	4.1
87.55389	1.3
89.01324	13.9
90.00829	3.1
91.02905	5.0
92.02402	2.9
95.04899	6.8
96.99249	1.2
97.02840	1.6
97.06464	2.8
99.00768	7.0
102.00866	3.4
103.02868	1.4
106.03980	3.9
107.02666	1.3
109.06485	6.2
111.00734	3.5
111.08044	7.1
113.05969	8.3
113.09600	5.1
115.00247	5.3
115.02900	5.4
116.02441	7.0
116.07052	2.3
118.04031	1.4
121.06477	2.1
127.00266	18.2
127.07542	42.0
128.00537	1.3
128.07855	1.9
129.03194	1.2
130.04007	46.7
131.02419	2.2
131.03522	14.5
131.04378	3.6
139.00296	2.9
139.07547	31.7
140.07904	1.4
156.89372	1.9
157.01312	6.1
157.05081	55.9
157.08609	100.0
157.12149	8.2
158.02278	1.9
158.03510	15.8
158.04654	3.8
158.05771	4.1
158.09099	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.9
57.03318	2.7
58.00462	1.0
59.01249	12.3
60.01623	0.3
65.01331	0.8
69.03332	1.2
70.72910	0.7
71.01255	9.7
72.99171	1.5
73.02819	4.3
75.00744	0.5
77.03827	1.2
78.56512	0.3
81.03329	2.1
83.01256	3.6
83.77214	0.2
84.02037	0.5
85.02822	16.7
86.03152	0.6
87.00760	1.1
89.02314	4.1
89.03850	0.9
91.02919	0.4
92.02422	0.3
95.04903	0.3
97.02830	1.3
97.59832	0.3
99.00750	0.4
99.04407	0.7
100.48572	0.3
101.02320	1.2
104.02557	1.0
105.03329	2.4
113.02358	1.0
115.01803	1.9
117.03400	0.5
117.67757	0.3
120.01980	0.4
121.02742	0.6
123.04386	0.4
125.02343	0.6
131.03398	7.4
132.02061	12.1
132.03661	0.6
133.02850	100.0
134.03194	7.8
135.05524	0.3
143.03423	0.4
145.26193	0.3
160.01515	0.3
161.02354	60.9
161.04369	10.0
162.02748	4.7
162.04745	0.4
165.74092	0.3
172.47653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92466	0.8
59.01227	1.5
65.00190	0.8
65.99696	0.7
67.01756	0.7
70.38869	1.8
70.39262	1.5
72.00779	38.7
72.99174	1.2
74.63470	0.7
77.03812	0.9
89.47629	0.7
91.01777	2.0
92.04922	2.4
92.99709	1.2
93.03352	5.9
94.02857	1.8
95.01284	0.9
105.25175	0.9
107.04916	0.7
108.02068	1.1
108.04420	1.0
109.02829	3.7
119.04899	4.6
120.04437	3.4
120.05259	5.3
121.02842	15.1
121.06531	1.7
122.03612	2.2
123.04411	3.1
135.04382	1.7
136.03960	1.4
137.02373	4.2
137.05960	2.4
141.31779	0.7
146.05989	0.9
147.04417	100.0
148.04730	7.9
149.00940	1.4
149.02327	0.8
150.03140	6.4
152.58089	0.9
164.03413	2.0
164.04733	1.5
164.07080	39.4
164.08110	1.5
165.01826	7.4
165.04077	1.2
165.05479	11.1
165.07433	3.0
165.09126	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	0.4
64.55527	0.3
65.00188	0.6
65.03828	0.5
66.03359	1.8
67.03696	0.6
68.99678	0.5
69.03323	1.3
69.82156	1.7
71.01241	0.3
72.99194	0.3
73.92084	0.3
80.02542	0.4
81.03330	4.3
82.02860	1.6
83.01254	1.1
83.04911	0.7
84.04408	0.3
85.02828	0.5
91.01758	0.9
93.03281	0.3
95.01257	0.8
95.04967	0.3
97.02803	0.7
97.06462	0.8
98.02349	0.3
99.07994	0.3
107.04906	0.6
108.00943	0.3
108.02055	7.3
109.02835	100.0
109.06470	1.2
109.99980	3.7
110.02426	0.2
110.03163	5.8
111.04382	1.0
112.03893	0.7
123.00774	0.9
123.04420	2.5
124.01565	0.7
124.03950	0.8
125.02322	3.8
125.06004	0.5
135.04401	1.0
135.11642	0.3
136.03912	0.7
137.99496	3.6
138.03114	0.9
139.90611	0.3
141.79630	0.3
151.00285	0.8
151.03967	0.3
151.11192	1.2
153.01839	23.5
153.05449	4.0
153.09145	1.6
153.12750	22.1
153.86766	9.7
154.02357	1.3
154.03934	0.3
154.04962	1.4
154.13078	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.5
57.03319	0.9
57.30235	0.9
59.01237	0.9
62.22703	0.7
65.01295	1.1
65.27245	0.7
69.03342	1.4
69.33280	5.3
69.33691	1.3
71.01241	0.9
73.02816	9.5
81.03310	1.6
83.01263	1.7
83.04899	2.6
84.04437	1.1
85.02815	1.6
93.03333	12.7
96.00778	1.1
111.04388	3.8
114.05487	10.1
127.00258	1.8
129.04427	0.8
137.02318	2.4
137.09654	5.2
140.01030	1.7
154.99718	0.9
155.02414	1.0
155.03537	7.0
155.10680	100.0
156.05592	2.9
156.06691	1.2
156.11017	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00199	28.3
59.01257	16.0
66.03595	4.0
68.99688	7.3
70.43717	11.8
71.01257	56.9
80.99693	9.9
87.00764	14.6
96.99198	45.8
102.48626	4.1
112.98705	39.8
115.00259	14.5
115.34254	4.2
124.98698	97.0
125.99039	5.3
140.98204	9.8
142.99767	100.0
144.00177	4.1
159.78531	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00187	31.5
55.01760	6.6
57.03326	10.9
59.01246	21.6
60.29512	4.1
63.09512	4.8
68.99683	13.2
69.03318	16.0
70.38354	15.0
71.01250	100.0
72.01575	7.4
73.02819	6.7
80.99696	6.3
81.03321	13.4
83.01263	7.3
85.02827	29.4
87.00741	30.5
87.04390	13.3
89.01316	8.1
91.75494	4.5
96.99191	46.9
97.02822	18.2
99.04401	7.8
100.07586	6.6
102.05499	5.6
112.98687	36.3
113.02322	4.2
115.00233	18.9
115.03861	5.5
118.11356	4.4
124.98705	94.1
125.02328	19.1
125.98969	5.9
140.98135	7.2
142.99768	90.6
143.03424	31.6
143.10664	14.4
144.00072	6.9
144.04521	21.4
158.99236	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00209	1.0
55.91452	0.5
57.03337	0.6
59.01263	0.6
64.01779	1.9
65.01316	3.3
65.99706	1.7
69.22215	2.4
69.22640	3.4
71.01253	1.0
72.99198	0.9
77.01322	3.0
81.03330	0.9
81.04439	1.3
82.02386	0.7
83.04884	2.3
85.64301	0.6
87.00743	0.6
90.00876	0.9
90.61750	0.7
91.02873	2.6
92.02364	0.8
97.06471	5.8
99.04401	1.2
99.08033	100.0
100.08361	5.7
101.05977	1.8
103.01601	1.0
103.02911	0.8
104.02409	0.7
105.03188	1.3
105.04462	1.4
106.01575	0.6
116.02420	1.0
117.03352	0.7
118.02894	3.2
118.04003	9.7
119.02410	6.4
119.03215	0.9
119.04301	1.1
127.03956	0.6
127.07523	2.4
130.02710	1.0
131.01218	0.7
143.07007	0.9
144.01953	1.0
145.01477	1.0
145.02821	1.1
145.03940	1.1
145.05035	9.8
145.08604	33.0
146.02371	7.5
146.03510	6.0
146.07137	3.1
146.08925	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	26.1
59.01251	28.2
65.50476	1.6
70.86911	2.8
70.87238	2.9
71.01255	16.5
71.04873	15.1
72.99173	6.3
75.00758	10.6
83.01245	2.6
83.04882	3.2
85.02824	70.8
86.03179	3.3
87.00750	100.0
88.01090	4.7
95.21134	1.8
99.00740	5.4
101.02325	12.0
101.05959	12.2
103.03902	14.1
115.00229	2.4
119.04914	2.3
129.01836	24.6
147.01909	3.0
147.02904	21.4
147.04382	4.9
147.06529	9.6
148.03992	4.0
148.05029	4.5
158.64636	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	37.0
58.03648	1.7
59.01254	12.4
61.01684	1.9
71.01257	2.5
71.09010	3.6
72.99161	2.3
82.23791	1.9
82.52877	1.6
85.02823	85.5
86.03156	2.5
87.00751	100.0
88.01099	4.1
97.14645	1.7
101.02323	17.7
101.05959	3.1
103.03882	22.5
129.01830	51.3
130.02217	2.6
147.02890	24.8
157.64452	1.8
161.74290	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Carvacrol
Peak:m/z	Relative Intensity
54.85221	1.1
56.30313	1.0
59.01247	1.2
63.39269	1.1
65.01323	1.7
65.99706	1.5
67.02876	1.3
69.18545	11.3
82.73035	0.9
89.02298	1.5
108.05556	1.5
121.02835	4.3
133.06471	3.9
149.02313	1.8
149.09625	100.0
150.09953	12.1
150.74200	1.1
154.89384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.6
59.01231	0.3
60.52423	0.3
61.98708	0.4
65.00202	0.5
65.03834	0.6
65.99711	0.5
66.03366	1.4
67.01752	0.5
67.03691	0.6
68.99693	0.7
69.03337	1.6
69.43648	1.5
71.04870	0.2
71.64471	0.2
72.99207	0.3
76.85523	0.4
78.95732	0.3
81.03333	4.4
82.02859	1.2
83.01249	0.9
83.04903	1.2
85.02829	0.5
85.12371	0.2
91.01752	1.1
95.01255	0.7
97.02843	1.2
97.06470	4.3
98.02346	0.4
98.06798	0.4
99.08040	1.3
107.01273	0.3
107.04900	0.5
108.02055	8.5
109.02839	100.0
109.06483	1.6
109.99285	0.4
109.99978	4.9
110.02452	0.3
110.03175	6.1
110.06075	0.3
110.06831	0.3
111.00859	0.3
111.04405	1.2
112.03910	0.8
112.05048	0.6
114.96510	0.2
123.00758	0.9
123.04426	2.6
124.01579	0.9
124.03919	1.0
125.02339	4.7
125.05990	0.6
126.01907	0.3
135.04391	1.3
136.03903	0.5
137.02275	0.5
137.09663	0.3
137.99492	4.5
138.03133	0.8
138.06825	0.3
151.00311	0.9
151.11240	0.7
153.01849	21.4
153.05482	4.5
153.09129	0.8
153.12758	9.9
153.86766	8.9
154.01154	0.5
154.02365	1.5
154.04924	1.3
154.06052	0.4
154.11044	0.2
154.13133	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	12.8
59.01262	2.0
61.18719	1.0
65.01307	1.9
66.50793	1.0
69.03326	3.3
69.72970	1.7
69.73378	4.1
71.01254	8.5
72.99158	2.5
73.02813	8.6
85.02821	50.7
85.06447	1.4
86.06007	1.3
87.04398	14.4
88.03911	4.4
98.19823	2.3
104.51160	1.1
113.02315	3.1
130.04060	7.2
130.08635	100.0
131.03427	20.6
131.07104	1.2
131.09000	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	4.0
59.01248	2.8
65.01301	0.4
69.03327	0.9
71.01251	96.6
71.06991	0.4
72.01579	3.2
72.99178	22.0
73.02807	0.2
73.99525	0.5
75.00733	0.8
85.02824	1.2
87.00753	6.6
87.04385	9.2
88.04739	0.4
89.02316	10.5
90.02608	0.3
92.02434	0.6
107.03521	2.5
115.00254	100.0
116.00588	4.4
131.03412	0.2
133.01323	19.1
133.04958	11.3
134.01656	0.8
134.02547	0.3
134.03566	0.6
134.04585	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00229	4.7
57.03289	2.8
60.41265	2.2
64.00527	4.3
64.01793	6.6
65.01318	61.2
65.99717	28.6
66.00850	6.3
66.03375	3.6
67.02883	3.5
68.01279	5.4
70.92901	4.7
71.01254	5.1
73.02831	3.8
75.00732	5.3
79.02863	5.6
85.02829	12.5
90.00843	3.3
91.02895	22.1
92.01281	13.1
92.02422	30.5
93.00826	3.2
93.03338	8.6
93.04482	3.9
99.92461	2.9
106.04004	19.8
107.02393	32.1
107.03492	24.7
107.04890	13.9
108.02026	4.0
134.02390	6.4
134.03503	100.0
134.04605	52.2
134.86548	2.7
134.89366	28.9
135.01898	8.7
135.02893	4.9
135.04425	74.5
135.05458	3.7
146.51518	2.2
151.68675	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0187
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
51.13377	0.3
51.61826	0.3
55.01751	1.4
58.54192	0.3
64.66240	0.3
65.01305	0.6
65.99705	0.4
66.00839	0.6
66.03364	0.4
67.01763	3.0
68.01284	1.0
68.99700	0.9
69.03310	0.7
69.25600	1.2
69.26020	2.3
71.33979	0.3
81.04481	0.4
82.02855	0.5
83.01244	1.3
83.04905	0.7
93.03356	1.5
94.02849	0.7
94.03660	3.1
95.01243	0.8
95.02410	0.5
95.04901	1.0
96.00767	0.6
96.05539	0.4
97.02845	0.7
97.03945	0.9
108.02055	76.4
108.19808	0.3
109.02386	4.2
110.02389	0.6
111.00762	12.4
111.01918	0.7
111.04420	0.8
120.01928	0.7
123.00768	0.8
123.12469	0.3
124.01534	0.9
136.00291	0.9
138.01871	100.0
139.00284	5.6
139.02202	6.6
139.03886	3.6
139.04964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1177.665
Annotation	Unknow
Peak:m/z	Relative Intensity
88.94051	0.3
93.03333	0.3
96.96835	3.2
137.06471	0.2
150.97911	0.6
152.99487	47.1
153.99802	0.3
171.00554	14.3
191.05592	1.1
227.03261	3.0
231.84094	0.2
245.04283	62.2
246.04535	1.1
253.21701	27.8
254.22061	1.2
254.48213	0.3
481.25702	100.0
482.26062	7.7
492.88177	0.2
624.66504	0.2
1087.09753	0.3
1127.54883	0.7
1159.56201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1193.538
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04887	0.8
84.59447	0.3
85.02818	5.5
87.00748	4.5
87.60632	0.3
89.03860	0.4
93.03332	25.6
94.03675	0.3
95.04885	0.8
98.19744	0.3
99.00760	0.5
99.04409	0.6
105.03333	1.9
107.04893	0.5
108.02068	1.0
109.02832	3.5
111.00737	0.7
111.04402	2.9
115.03873	0.3
117.03358	0.3
121.02854	1.2
122.03680	0.3
123.04411	1.0
124.01561	1.7
125.02325	1.0
127.03886	1.4
129.01862	0.4
132.02072	2.0
133.02847	18.1
134.03676	3.9
135.04410	38.8
136.04802	1.0
137.02338	1.4
139.03914	0.7
145.02942	0.3
149.02345	0.5
150.03102	1.5
151.03911	3.3
153.01849	0.4
153.77692	0.3
155.03430	0.9
159.04353	0.3
160.01544	1.5
161.02345	3.7
161.05968	0.4
163.03923	0.4
173.04475	5.1
173.05833	0.3
177.01857	4.1
178.02605	2.0
179.03400	7.1
187.03958	0.4
189.05489	0.3
191.05530	36.4
192.05771	0.7
211.13374	0.9
215.05556	3.3
228.04169	0.4
249.18497	0.8
307.08261	0.6
308.08963	0.6
309.14975	1.0
325.14478	0.5
327.16022	1.6
351.07178	4.3
352.07938	0.5
353.13828	0.8
371.15094	0.3
678.23126	0.3
957.46228	0.4
975.49310	0.9
983.45642	0.7
1001.47430	12.6
1002.47253	1.4
1019.48584	1.8
1175.53015	1.0
1193.53748	100.0
1194.54065	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00232	0.6
50.76243	0.3
52.01777	0.4
56.22344	0.3
58.32296	0.3
58.88584	0.4
60.33306	0.4
65.01320	3.0
65.99724	2.9
66.00819	0.5
66.03360	4.6
67.02878	1.4
68.01283	0.7
69.00823	0.4
69.15456	0.4
69.80946	1.9
70.23190	0.4
77.01312	0.6
78.02155	0.4
78.37743	0.3
79.01633	1.3
79.02887	7.5
80.01283	1.1
82.01585	4.2
87.21162	0.4
91.01764	1.1
91.02901	1.2
92.02425	1.4
93.03341	4.6
94.02857	23.4
95.01329	1.0
95.02388	4.5
98.20531	0.5
106.00342	1.3
106.01595	0.8
108.02038	3.1
120.01954	1.8
121.02838	100.0
121.03878	4.2
121.05106	6.4
121.05888	1.7
122.02365	15.7
122.03437	18.6
122.06027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	12.8
56.97581	4.1
57.03318	57.0
59.01249	11.2
65.01315	7.2
65.61103	3.5
67.01759	100.0
68.99688	76.1
70.65472	13.1
71.01250	25.5
72.99171	40.3
73.02815	16.7
73.87453	3.9
83.01250	11.2
85.02830	57.5
87.00753	20.3
88.03909	25.0
96.99201	14.9
99.00768	16.3
101.02325	17.5
128.89107	57.2
129.01828	98.7
129.05432	4.5
129.89180	6.3
130.04008	47.2
130.08643	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50475	1.0
55.01743	2.6
57.03328	21.7
59.01239	4.3
65.01302	2.6
69.03323	5.7
71.01255	14.0
71.07250	2.6
72.99174	4.6
73.02808	14.8
75.00745	3.1
84.08040	1.2
85.02822	92.2
85.06448	3.6
86.05985	2.0
87.00724	1.7
87.04382	25.1
88.03918	7.1
94.35004	1.1
94.90817	1.1
101.02335	2.1
113.02323	6.5
129.01888	1.2
130.04005	9.5
130.08626	100.0
131.03424	30.4
131.06990	1.8
131.08986	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43235	0.4
53.59345	0.4
55.01757	12.5
56.02082	0.6
60.37436	0.5
67.01758	7.1
68.01281	1.1
68.99674	1.1
69.74797	0.4
71.00408	0.8
71.01244	2.1
78.95776	100.0
79.95591	1.8
81.03322	0.5
83.01258	32.7
83.04889	1.5
84.01591	1.2
89.42395	0.5
93.03316	0.7
95.95087	0.5
102.42674	0.4
105.35168	0.5
110.89774	0.9
110.97459	5.3
110.98411	2.2
111.00765	25.7
111.01905	1.7
111.03230	0.8
111.04380	2.5
112.00383	0.6
112.01084	1.4
112.03941	0.5
112.04729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.5441
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01264	1.9
85.02822	6.4
85.99977	0.6
87.00750	3.5
89.02312	7.2
93.03332	0.5
95.01262	2.6
96.41656	0.3
96.95877	0.7
97.02830	0.8
99.00761	5.8
101.02320	9.0
111.00741	0.4
113.02334	8.5
119.03392	2.8
125.02413	0.3
131.03412	3.5
134.03603	0.4
135.04414	0.4
139.00252	0.6
141.01848	0.4
143.03398	0.7
149.09612	1.6
157.01373	0.5
159.02907	0.8
160.11925	0.3
161.04462	5.3
161.05663	0.5
179.05498	1.9
187.07625	0.4
191.05547	1.0
221.06627	5.8
231.10240	0.3
263.07770	1.2
275.09207	0.4
423.32352	0.4
437.34161	0.8
453.33694	2.5
455.35297	2.9
456.35110	0.3
461.10812	0.8
481.36737	0.4
497.36264	2.1
498.36307	0.3
523.37921	12.9
524.38184	2.1
551.37421	1.5
567.36548	0.7
569.38452	8.1
570.38831	1.2
587.39575	1.0
613.37482	2.0
614.38141	0.5
713.42700	1.2
731.43726	2.8
732.44733	0.5
757.41882	0.9
775.42096	0.4
937.46649	0.6
955.49036	23.3
956.49512	4.3
979.83105	0.4
1099.52734	2.2
1100.53027	0.4
1117.54358	100.0
1118.54614	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.6674
Annotation	Unknow
Peak:m/z	Relative Intensity
78.11800	0.2
83.01250	0.7
84.02015	0.3
85.02822	13.4
86.03146	0.3
87.00735	1.1
89.03737	0.2
93.03326	0.3
95.01278	1.7
96.95863	0.2
97.02831	0.4
97.03876	0.2
99.00751	1.3
99.67167	0.2
111.00757	0.3
112.01534	0.8
113.02332	8.7
115.00278	0.3
116.92695	0.3
117.01846	0.5
129.01831	0.7
129.59146	0.2
130.07617	0.2
130.99721	0.2
137.69780	0.2
157.01363	1.1
168.98634	0.2
175.02370	0.7
191.05496	1.2
270.65009	0.2
275.38971	0.2
372.08453	0.2
409.34488	0.4
453.33920	0.4
455.35559	0.4
471.73029	0.2
571.36786	0.2
587.39502	4.2
588.39832	0.8
613.37189	0.5
631.38483	100.0
632.38855	16.7
800.73602	0.2
1046.46606	0.2
1103.29260	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95773	58.3
80.96358	0.4
91.72277	0.4
96.96841	4.3
128.43796	0.3
132.73109	0.4
150.97897	0.8
152.99487	62.6
153.99857	0.8
171.00549	18.8
227.03149	3.3
229.24173	0.4
245.04283	83.5
246.04662	1.8
253.21701	42.2
254.22102	2.0
280.77686	0.4
290.99710	0.4
385.19159	0.3
481.25705	100.0
482.26083	7.7
795.22260	1.0
895.45233	0.6
1123.48975	20.7
1124.49353	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03333	2.2
83.01312	0.2
83.04886	1.4
85.02821	5.7
87.00752	12.2
89.03848	0.5
93.03336	72.6
94.03670	1.8
95.01263	0.3
96.95895	0.4
97.02817	0.3
97.06439	0.3
99.00758	1.2
99.04357	1.6
101.02328	0.4
105.03309	0.2
108.02052	0.6
109.02850	1.5
111.00773	0.2
111.04402	8.9
112.04704	0.2
113.02319	1.1
115.03904	0.5
117.03358	1.6
121.02856	0.5
122.03664	0.2
124.01550	1.1
125.02337	0.6
126.03089	0.3
127.03909	1.6
127.70674	0.2
129.01823	1.5
132.02063	2.2
133.02859	1.5
134.03638	7.5
135.04414	15.5
136.04715	0.4
137.02354	1.1
143.03407	0.6
145.02853	0.4
149.02365	0.2
150.03104	0.6
151.03918	1.6
153.01820	0.3
155.03394	2.1
160.01573	6.7
161.02403	1.7
162.03142	4.4
171.02902	0.3
173.04471	27.2
174.04807	0.8
177.01823	0.7
178.02603	0.8
179.03394	3.2
180.04094	0.2
181.04944	0.2
185.00842	0.3
187.07568	0.4
191.05537	69.7
192.05843	1.8
209.11768	0.3
213.09091	0.5
215.05528	0.6
231.10229	0.5
257.08173	3.6
258.08606	0.4
275.09247	5.5
276.09610	0.3
290.07907	0.3
303.60751	0.2
307.08234	1.2
308.08981	2.7
342.88486	0.2
351.07193	3.3
352.07977	5.2
353.08179	0.2
449.14520	100.0
450.14868	8.4
1010.50586	0.3
1109.47278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32756	0.6
55.01768	0.8
56.87344	0.7
70.48750	2.2
73.02819	100.0
74.03165	3.7
75.65458	0.6
78.49654	0.6
78.68491	0.6
99.00759	7.8
115.03928	0.7
116.92737	2.2
117.01817	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6779
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95773	5.8
78.98458	0.5
79.95593	1.0
80.96390	5.6
82.95951	0.2
83.04887	0.1
85.02817	0.3
87.00761	0.2
91.25930	0.1
94.03179	0.1
94.97956	1.4
96.95879	0.1
100.09859	0.1
101.02335	0.1
106.97955	0.3
122.97475	0.3
122.98365	0.1
125.02304	0.4
134.97466	0.4
136.99031	0.1
148.99026	0.5
152.98355	0.5
152.99573	1.0
164.98529	0.9
168.04205	1.6
182.99585	0.1
191.05577	0.1
206.99554	0.2
224.06898	1.0
225.00688	1.8
226.00969	0.3
242.07939	2.4
243.01851	0.2
261.22220	0.4
277.21744	0.3
278.22250	0.2
279.23270	100.0
280.23605	6.7
299.04376	0.4
504.30942	80.2
505.31274	7.3
505.38943	0.2
519.27454	0.7
577.26843	9.0
578.27112	9.0
578.34912	2.5
579.27045	1.5
579.35144	0.3
983.22546	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6785
Annotation	Unknow
Peak:m/z	Relative Intensity
77.85811	0.3
78.95775	15.7
78.98463	0.4
79.87773	0.3
79.95608	0.7
80.96403	3.9
94.97953	1.0
96.95865	0.8
122.98399	0.4
134.97520	0.4
148.99033	0.6
152.99478	2.1
164.98532	1.2
168.04214	3.3
191.05524	1.1
194.90102	0.3
224.06888	7.8
225.00723	1.6
226.01018	0.3
242.08006	2.0
261.21835	0.4
274.60873	0.4
277.21799	0.5
279.23276	84.3
280.23645	5.7
285.77161	0.3
299.04370	0.4
368.80319	0.3
504.30954	100.0
505.31305	9.9
505.38818	0.4
519.27423	0.8
577.26855	7.4
578.27136	7.1
578.34955	2.2
579.27313	1.2
717.85474	0.3
788.37604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.203
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95618	0.3
91.45639	0.1
94.45363	0.1
96.51448	0.1
98.19852	0.1
107.01265	0.2
108.02065	0.4
135.00774	0.2
148.01566	0.4
148.28177	0.1
151.00287	0.7
160.72202	0.1
163.00273	1.0
164.01010	0.3
167.51555	0.1
174.03316	0.1
183.04376	0.1
190.99757	0.2
199.03999	0.2
200.04752	0.2
202.02661	0.2
209.08269	0.2
213.01422	0.1
215.03282	0.2
216.04247	0.4
226.02605	0.6
227.03426	0.8
228.04181	0.4
243.02950	6.7
244.03656	1.7
254.02258	1.0
255.02951	12.7
256.03415	0.8
259.06174	0.8
271.02466	25.6
272.03146	4.5
273.03613	0.2
279.63016	0.1
287.05643	1.6
299.01938	0.6
300.02734	38.7
301.03024	2.2
314.04703	0.1
315.05090	100.0
316.05396	5.9
337.08893	0.1
395.00754	64.9
396.01077	4.0
413.14539	0.2
505.83521	0.1
507.35519	0.2
736.79315	0.1
855.33423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03333	1.8
83.04895	1.6
84.60386	0.5
85.02822	8.2
85.03342	0.4
85.14963	0.4
87.00743	7.1
93.03331	51.3
94.03650	1.8
95.04922	1.0
96.95872	0.9
97.02834	0.5
99.00781	0.9
99.04394	0.7
101.02324	0.5
105.03337	3.1
107.04914	0.7
108.02052	1.5
109.02843	3.6
111.00748	1.1
111.04398	5.9
117.03352	0.5
121.02836	2.1
123.04414	0.7
124.01552	3.2
125.02345	1.3
126.03114	0.6
127.03905	2.0
129.01842	0.9
132.02078	3.4
133.02849	22.3
134.03647	6.3
135.04411	56.9
136.04802	1.4
137.02351	3.2
139.03938	1.1
149.02379	1.2
150.03134	2.4
151.03905	4.5
155.03418	1.4
159.04424	0.6
160.01582	2.6
161.02347	5.9
161.06006	0.6
163.03798	0.4
171.02892	0.5
171.10194	0.8
173.04469	11.4
174.03171	0.6
174.04681	0.4
175.03935	0.4
177.01845	5.6
178.02669	3.1
179.03416	10.8
180.03810	0.4
181.04895	0.4
183.10245	0.4
187.03967	0.4
191.05533	57.0
192.05856	1.7
193.12265	0.5
200.04807	0.4
203.03456	0.4
210.66020	0.4
211.13425	0.8
215.05553	4.4
218.43184	0.4
225.14893	0.5
228.04172	0.6
281.11703	0.6
299.12894	0.7
307.08282	1.2
308.08951	2.1
309.14941	0.6
325.10773	1.4
325.14392	0.5
327.16159	0.6
341.23260	5.0
351.07184	8.0
352.07819	1.4
353.14044	0.8
371.15076	0.4
550.13861	0.3
607.24274	0.6
622.88251	0.5
628.70709	0.4
845.43195	0.6
853.40051	1.4
871.41162	18.2
872.40985	3.5
889.42267	1.9
1045.46558	2.9
1046.46924	0.5
1063.47485	100.0
1064.47937	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03326	1.4
83.04904	1.1
85.02283	0.2
85.02820	6.5
87.00748	7.9
89.03848	0.3
93.03333	46.6
94.03678	0.7
95.04848	0.1
96.95922	0.2
97.02846	0.3
97.06487	0.2
99.00754	0.7
99.04379	0.9
101.02375	0.2
101.48721	0.2
105.03337	0.2
108.02051	0.7
109.02834	1.3
111.00795	0.2
111.04403	6.2
113.02322	0.8
115.03889	0.4
117.03343	1.0
121.02840	0.5
123.04413	0.2
124.01561	1.2
125.02343	0.5
126.03126	0.4
127.03899	1.9
129.01825	0.7
132.02071	3.0
133.02852	1.9
134.03635	4.9
135.04414	20.3
136.04799	0.5
137.02335	1.1
139.03853	0.3
143.03386	0.4
145.02835	0.2
149.02325	0.3
150.03128	1.0
151.03877	2.5
153.01884	0.2
155.03409	1.5
158.03563	0.1
160.01566	10.2
161.02385	1.2
162.03143	2.6
163.03825	0.2
171.02893	0.6
173.04471	17.8
174.04767	0.2
177.01874	0.9
178.02705	1.0
179.03413	3.7
180.04156	0.2
183.04478	0.2
187.07549	0.7
191.05534	100.0
192.05879	2.0
203.07259	0.2
209.11662	0.2
209.81973	0.1
212.29115	0.2
213.09131	0.6
215.05498	0.9
221.12370	0.2
221.14700	0.2
229.08615	0.3
231.10243	0.5
257.08176	5.4
275.06223	0.3
275.09216	4.9
276.09561	0.3
290.07932	0.3
307.08224	1.0
308.08942	2.4
323.07983	0.2
351.07202	4.5
352.07959	5.7
353.08127	0.2
431.13409	0.3
449.14499	72.6
450.14880	5.4
885.38879	0.2
903.40283	0.3
1084.95264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95759	1.3
79.95629	0.6
80.96394	1.2
81.03328	1.6
83.04893	1.0
85.02814	8.3
87.00744	10.5
93.03332	61.4
94.03667	1.5
94.45442	0.5
95.01267	0.8
99.04387	1.0
102.36569	0.6
105.03315	3.2
107.04919	0.6
108.02066	1.0
109.02818	2.6
111.04401	6.6
121.02813	1.9
124.01575	1.7
125.02302	1.0
127.03882	2.2
129.01813	1.1
132.02069	3.5
133.01842	1.1
133.02849	21.5
134.03650	4.1
135.04411	29.5
136.04657	1.0
137.02318	2.9
139.03896	1.2
149.02290	1.1
150.03053	0.8
151.00253	1.7
151.03896	2.3
152.99472	1.4
155.03380	2.0
160.01572	3.5
161.02333	5.7
173.04469	10.9
177.01871	5.1
178.02626	4.8
178.99788	2.1
179.03395	7.5
191.05530	60.8
192.05846	1.5
198.75934	0.6
209.11951	0.7
211.13292	1.1
215.05469	3.0
223.24942	0.6
235.50798	0.6
271.02472	1.5
277.21655	1.9
299.01764	1.6
300.02817	1.8
308.08923	1.1
309.15347	0.7
327.16061	1.5
351.07202	6.9
352.07614	1.0
353.14084	1.8
471.16550	0.7
481.25537	1.0
555.28461	3.4
799.42578	2.3
841.47314	0.8
867.28558	0.8
867.45203	15.8
868.45215	2.6
885.46246	2.8
1025.28113	0.8
1059.51660	100.0
1060.52100	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03324	1.9
83.04892	1.4
85.02817	9.1
87.00745	9.3
93.03332	58.5
94.03645	0.8
95.04904	0.9
96.95882	1.1
97.02834	1.8
99.00760	1.6
99.04420	0.7
105.03346	3.6
107.04858	0.7
108.02071	1.2
109.02833	4.1
111.00787	0.8
111.04407	6.0
117.03375	0.6
121.02865	1.8
123.00768	0.7
123.04461	0.9
124.01548	2.0
125.02293	1.2
127.03893	2.3
129.01840	0.8
132.02063	4.0
133.02844	28.2
134.03658	6.3
135.04413	48.0
136.04781	1.9
137.02322	3.1
139.03911	1.0
147.04480	0.6
150.03134	1.7
151.03879	4.2
155.03398	2.1
159.04420	0.8
160.01556	2.6
161.02339	5.0
162.02892	0.6
171.02895	0.8
173.04463	11.6
173.05838	1.1
175.03879	0.7
177.01825	7.6
178.02625	4.6
179.03416	9.8
180.03822	0.7
185.00816	1.4
191.05531	59.5
191.71237	0.5
192.05858	1.4
209.11684	0.8
211.13287	1.3
215.05580	4.5
299.12885	0.6
307.08109	1.3
308.08987	2.4
309.15039	0.9
313.77948	0.6
325.10748	1.2
327.15848	1.3
351.07199	8.6
352.07803	1.6
353.13763	0.9
371.14957	0.6
546.19458	0.6
647.88428	0.6
765.94989	0.6
851.38782	0.7
865.05420	0.6
869.39594	18.6
870.39825	2.8
875.43896	0.8
887.40228	3.1
963.38342	2.4
995.08075	0.6
1043.45752	1.5
1061.45972	100.0
1062.46326	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02811	0.5
77.03844	0.5
81.03339	2.0
83.04886	1.5
85.02821	9.4
87.00748	10.6
89.03812	0.5
91.05408	0.3
93.03333	59.5
94.03672	1.4
95.01263	0.7
95.04889	0.7
97.02821	0.5
99.00755	1.1
99.04398	1.1
101.02330	0.8
105.03327	3.1
107.04905	0.9
108.02078	1.5
109.02834	4.8
111.00766	0.9
111.04402	6.0
113.02328	0.6
115.03892	0.5
116.92778	0.5
117.03314	0.4
117.04610	0.3
121.02829	1.8
122.03624	0.5
123.04419	1.0
124.01567	2.8
125.02311	1.5
126.03111	0.7
127.03904	3.0
129.01866	1.6
132.02065	2.8
133.01382	0.4
133.02850	25.3
134.03664	6.2
135.04411	63.9
136.04704	2.0
137.02336	3.7
137.56958	0.3
139.03908	0.9
149.02376	0.6
149.05983	0.4
150.03108	2.5
151.03918	5.8
155.03400	1.8
159.04457	0.8
160.01570	3.4
161.02361	7.0
161.05968	0.8
162.02931	0.4
163.03879	0.6
171.02972	0.8
172.05115	0.4
173.04471	13.5
173.05978	0.7
174.03154	1.0
174.04633	0.4
175.03903	0.8
177.01845	5.9
177.05551	0.3
178.02632	3.4
179.03423	12.8
180.03889	0.7
183.04315	0.3
183.10228	0.4
187.03860	0.5
189.05551	0.4
191.05534	72.1
192.05939	2.4
194.02129	0.5
211.13274	0.7
215.05559	5.9
216.05956	0.3
227.03459	0.5
255.10216	1.2
256.36246	0.3
271.09778	0.4
277.21732	1.8
299.12790	0.9
307.08246	1.3
308.08972	2.8
309.15039	0.9
325.10907	1.5
325.14197	0.5
327.15964	0.9
331.13016	0.4
351.07205	11.3
352.07904	2.3
353.14108	0.7
371.14862	0.5
795.41327	0.7
813.44446	0.9
821.41669	0.8
839.42163	22.2
840.42548	4.3
857.42957	4.5
858.43524	1.1
875.43884	0.4
890.12762	0.4
992.78790	0.4
1013.47418	1.4
1014.46448	0.5
1031.48560	100.0
1032.48828	25.6
1049.49365	10.2
1050.50049	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02829	0.1
75.00761	0.2
78.95776	1.2
79.95608	8.0
83.01250	0.1
85.02827	0.3
87.00742	0.1
89.02316	0.3
93.03329	0.1
94.97977	0.3
95.01225	0.2
96.95889	100.0
97.93032	0.1
97.95820	0.1
99.00754	0.6
101.02291	0.5
113.02357	0.5
114.93285	0.1
119.03383	0.1
131.03453	0.2
143.03262	0.1
161.04475	0.3
179.05539	0.2
191.05569	0.3
212.49022	0.1
221.06667	0.5
247.17009	0.1
317.60312	0.1
404.87976	0.1
453.33621	0.3
454.63092	0.1
455.35547	0.2
523.37750	0.3
532.56897	0.1
569.38965	0.1
613.37384	0.3
939.83783	0.1
955.49072	7.4
956.49408	1.2
993.45264	0.4
1053.44629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03823	0.4
78.95788	0.4
80.96384	0.5
81.03320	2.2
83.01254	0.3
83.04892	1.7
85.02823	6.1
87.00745	9.4
88.98663	1.0
93.03333	63.1
94.03666	1.2
95.01246	0.6
95.04906	0.3
98.19749	0.6
99.00775	1.0
99.04388	1.1
105.03345	3.0
107.01279	0.7
107.04922	0.6
108.02041	1.7
109.02830	3.1
111.00742	0.6
111.04401	6.6
112.04700	0.3
113.02309	0.6
115.03864	0.4
121.02840	1.7
122.03558	0.6
123.04399	0.9
124.01529	3.2
125.02335	0.9
126.03184	0.5
127.03906	1.9
129.01826	1.3
132.02066	3.2
133.02847	20.4
134.03645	6.4
135.04413	54.5
136.04706	1.9
137.02325	3.1
139.03938	0.9
149.02287	0.6
149.05928	0.3
150.03134	2.3
151.00230	1.2
151.03915	4.3
152.99594	0.3
153.01865	0.3
155.03406	2.1
159.04292	0.3
160.01576	2.3
161.02342	4.5
163.03992	0.3
168.72006	0.3
169.01326	0.6
171.02927	0.7
173.04469	14.2
174.04713	0.3
177.01857	5.3
177.05415	0.4
178.02612	3.6
178.99866	2.1
179.03415	11.1
180.03891	0.4
181.04892	0.4
191.05533	49.2
192.05876	1.0
211.13454	0.7
215.05539	3.7
229.77777	0.4
255.03023	0.3
257.11716	0.5
271.02438	0.4
277.21732	1.5
283.13397	0.7
285.11462	0.4
290.91760	0.3
299.02133	0.8
300.02695	0.9
307.08240	1.5
308.08914	2.3
309.14926	0.8
325.14688	0.4
327.16049	1.2
351.07162	8.2
352.07697	1.6
353.09598	0.3
353.13837	1.3
371.14850	0.4
555.28271	0.9
607.24011	0.6
790.59601	0.3
799.43127	1.8
800.42523	0.5
809.61627	0.4
823.44409	0.5
841.47717	0.8
849.44189	0.6
867.45288	17.5
868.45721	2.5
885.45990	2.0
912.26276	0.3
970.55847	0.4
1041.50928	1.0
1059.51709	100.0
1060.52026	24.1
1068.14929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02821	0.3
75.00785	0.5
81.87887	0.2
83.01256	0.2
85.02830	1.5
87.00758	0.8
88.98679	100.0
89.02316	1.3
89.99027	0.7
93.03334	0.6
95.01262	0.5
96.95905	0.3
97.02820	0.2
99.00753	1.3
101.02322	1.6
113.02316	1.6
119.03407	0.3
131.03377	0.4
159.02812	0.3
161.04501	1.1
179.05521	0.3
184.66818	0.2
191.05537	2.4
221.06599	0.9
269.41388	0.2
308.86755	0.2
309.14987	0.2
314.04065	0.3
382.14264	0.2
453.33575	1.1
455.35043	0.6
467.23856	0.3
523.37982	0.8
569.37848	0.3
613.37372	0.8
853.40094	0.7
881.32434	0.3
937.47260	0.3
955.49030	30.8
956.49377	6.6
957.49866	0.6
1045.44836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02794	0.4
73.62202	0.3
81.03326	1.9
83.04893	1.5
85.02824	6.6
85.03294	0.6
87.00746	9.4
91.05383	0.4
92.79910	0.3
93.03334	56.1
94.03667	1.2
95.01262	0.4
96.95871	0.9
97.02834	0.4
99.00760	1.1
99.04404	0.5
101.02335	0.5
105.03339	2.7
107.04911	0.8
108.02054	2.0
109.02838	3.4
111.00766	0.9
111.04400	6.5
113.02341	0.6
115.03895	0.4
116.92769	0.5
117.03394	0.3
121.02847	1.9
122.03609	0.6
123.00724	0.4
123.04374	0.8
123.07915	0.3
124.01563	3.2
125.02312	1.5
126.03084	0.9
127.03893	2.0
129.01808	1.4
132.02054	2.2
133.02852	20.6
134.03656	6.0
135.04411	62.9
136.04721	1.6
137.02348	3.2
139.03923	0.7
139.16924	0.3
143.03413	0.4
145.02797	0.3
148.05246	0.3
149.02348	0.7
150.03140	2.4
151.03912	5.6
152.04384	0.4
155.03404	1.3
159.04420	0.4
160.01563	2.5
161.02351	4.0
161.05928	0.4
163.03894	0.5
171.02893	0.7
172.05206	0.4
173.04472	12.1
173.05806	0.4
174.03233	0.3
177.01862	5.5
178.02600	2.6
179.03412	12.3
180.03738	0.6
185.06026	0.4
185.16052	0.4
188.78645	0.3
189.03946	0.3
189.05496	0.7
191.05537	48.3
192.05861	1.6
200.04791	0.4
211.13408	0.5
215.05576	4.8
237.49139	0.3
263.09238	0.3
293.21060	0.5
297.11478	0.4
307.08197	1.7
308.09039	1.5
309.15012	0.7
325.10828	0.7
325.14459	0.4
327.15854	0.9
351.07162	9.3
352.07846	1.5
353.08807	0.4
353.13766	0.7
415.14700	0.4
640.97845	0.3
717.18665	0.3
811.40735	0.5
829.43640	0.7
837.41095	1.0
855.41705	17.4
856.42120	2.3
873.42676	1.8
931.87317	0.4
1029.46777	1.5
1047.48022	100.0
1048.48340	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5804
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53202	0.7
72.99191	1.1
73.02820	1.5
76.37016	0.5
81.03310	1.0
83.01275	1.0
83.04886	1.2
84.02059	2.2
85.02830	4.8
87.00758	3.5
89.02314	9.6
93.03336	5.8
95.01266	1.3
95.04939	0.7
97.02836	3.5
97.06469	5.4
99.00774	0.7
99.04378	1.0
101.02325	8.3
109.02819	0.7
109.06425	0.7
111.04366	0.7
111.08064	4.5
113.02333	4.4
115.03921	0.5
119.03378	2.7
119.08594	0.4
121.02818	0.5
123.08070	0.5
125.02356	2.5
125.09612	1.6
127.03889	0.9
127.07533	0.6
131.03339	0.5
133.02855	1.9
135.04399	2.5
135.08040	0.6
137.02257	0.7
137.09641	1.3
143.03365	0.9
161.02303	0.7
161.04463	1.7
163.11192	0.5
165.12767	1.1
168.44627	0.5
169.12244	2.3
171.10185	13.8
172.10513	0.8
173.04433	1.1
177.01770	0.6
177.12709	0.5
178.02693	0.5
179.03415	1.0
179.05542	3.3
181.12253	0.8
183.13745	1.2
185.11766	1.1
191.05536	14.6
193.12280	7.7
197.11768	21.1
198.12074	1.4
199.13293	0.8
209.11763	2.1
211.13345	6.6
221.06612	0.9
221.11804	0.9
225.14905	11.0
227.03459	0.5
227.12895	0.9
235.08104	2.9
243.15999	4.9
247.20761	0.8
253.09212	0.9
253.14522	0.8
263.20139	1.4
265.17957	0.7
273.18396	0.6
287.07730	0.6
291.19666	12.8
292.20193	1.1
293.21249	1.3
305.08875	1.0
307.19067	0.9
309.20709	51.5
310.21176	3.7
318.27945	0.5
323.09790	0.8
323.22217	0.7
325.20236	0.9
327.21915	2.5
341.23306	100.0
342.23688	9.7
357.22797	1.6
365.23212	0.6
379.12497	0.8
397.13519	23.8
398.13925	2.1
415.14557	19.1
416.14954	0.8
559.32025	0.6
633.43689	5.7
634.44092	0.7
689.34039	1.5
707.35175	3.7
708.34888	0.8
721.36316	2.6
739.37500	3.6
808.00800	0.5
839.42072	3.8
840.42932	0.6
857.41913	0.7
1031.48657	5.6
1032.48828	2.6
1068.04858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02816	0.5
77.03844	0.7
81.03320	2.1
83.04899	2.5
85.02819	7.2
85.03295	0.6
87.00748	12.7
90.78506	0.4
93.03333	71.3
94.03673	1.5
95.04929	1.0
97.02853	0.4
99.00768	1.4
99.04411	1.1
101.02287	0.3
105.03333	2.8
107.04900	0.8
108.02048	1.9
109.02841	3.9
111.00767	0.8
111.04404	8.0
117.03355	0.4
121.02833	1.5
122.03644	0.6
123.04440	0.7
124.01566	2.8
125.02345	1.1
126.03099	0.6
127.03902	2.6
129.01834	1.4
132.02057	3.0
133.02847	24.9
134.03661	6.4
135.04414	56.1
136.04776	1.7
137.02356	3.5
139.03917	1.3
145.02756	0.4
149.02347	0.9
149.06018	0.5
150.03107	2.4
151.03922	4.9
155.03389	2.5
159.04457	0.5
160.01579	2.9
161.02341	6.2
161.05827	0.5
163.03816	0.5
171.02931	0.4
173.04463	16.0
174.03262	0.5
174.04797	0.4
177.01848	7.6
178.02632	4.6
179.03421	12.5
180.03769	0.4
189.05510	0.6
191.05531	63.3
192.05852	1.8
211.13324	1.1
215.05524	5.0
249.18597	0.7
278.11380	0.4
295.22824	1.1
307.08139	1.0
308.09033	2.4
309.14969	1.3
327.16122	1.0
351.07214	9.7
352.07898	1.9
353.09158	0.5
353.14032	1.7
371.14938	0.4
377.23260	0.8
525.09473	0.5
547.60291	0.4
795.41846	0.6
813.45032	0.8
821.41345	1.3
839.42200	18.7
840.42719	3.2
841.93628	0.6
857.43500	1.7
1013.47400	1.1
1031.48547	100.0
1032.48767	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02821	0.6
77.03838	0.6
81.03341	2.7
83.01244	0.7
83.04903	2.3
85.02821	7.6
86.74414	0.4
87.00751	11.0
93.03333	70.8
94.03672	2.0
95.01253	0.4
95.04903	1.2
99.00750	1.3
99.04385	1.0
101.02337	0.4
105.03334	3.6
106.04135	0.4
107.04925	1.4
108.02058	2.4
109.02843	5.8
111.00777	1.2
111.04402	6.4
113.02322	0.8
115.03880	0.5
121.02832	2.6
122.03643	0.7
123.04405	1.1
124.01534	4.1
125.02312	2.2
126.03127	0.7
127.03951	1.9
129.01817	1.2
132.02077	3.1
133.02847	25.2
134.03664	7.3
135.04413	92.7
136.04729	2.5
137.02345	3.1
139.03897	0.8
149.02324	0.6
149.05940	0.5
150.03163	3.4
151.03908	8.1
155.03433	2.6
159.04425	0.6
160.01570	1.8
161.02361	4.0
161.05942	0.5
162.03137	0.4
163.03952	0.7
171.02821	0.5
173.04472	14.9
173.05977	1.0
175.07509	0.4
177.01840	7.2
177.03305	0.5
177.05354	0.4
178.02599	2.6
179.03415	18.2
180.03923	1.2
187.04002	0.6
191.05534	59.9
192.05881	1.6
194.02101	0.4
194.79697	0.4
200.04541	0.4
215.05519	7.8
228.04199	0.4
229.60448	0.4
255.10226	0.6
277.21695	1.5
281.12006	0.5
290.07880	0.5
299.12772	1.0
307.08282	1.6
308.09036	3.8
309.14850	0.8
325.10767	1.3
343.11810	0.5
351.07190	12.9
352.07843	2.6
353.14047	0.8
477.72440	0.4
641.89844	0.4
704.28278	0.4
766.89191	0.4
795.41534	0.4
797.41528	0.5
813.44617	1.0
821.42102	0.5
839.42151	25.4
840.42645	5.5
857.43622	1.9
858.43994	0.7
879.27191	0.5
1013.49280	2.0
1014.48840	0.7
1031.48547	100.0
1032.48840	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.558
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53271	20.5
78.95795	17.4
79.33656	13.0
85.02817	15.4
93.03325	54.3
98.94437	13.6
116.92731	13.3
133.02832	30.3
134.03595	15.2
135.04408	100.0
171.95622	11.9
179.03436	25.3
187.51540	12.1
191.05562	88.5
261.24252	12.6
266.68301	11.2
293.21146	22.5
310.67050	14.7
341.68228	13.7
717.39081	15.0
839.42145	46.3
1031.48706	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02830	0.4
81.03324	1.3
82.89433	0.3
83.01240	0.4
83.04892	1.5
85.02820	15.7
87.00743	5.3
87.57071	0.3
89.31920	0.2
90.61205	0.3
92.37737	0.3
93.03333	22.7
94.03685	0.6
95.01266	0.6
95.04896	1.4
97.06467	0.9
99.00778	0.4
99.04381	0.8
101.02317	0.6
105.03353	0.7
107.04921	0.3
108.02058	0.4
109.02853	2.5
111.04397	3.5
113.02319	0.6
121.02833	0.6
124.01636	0.5
125.02345	0.7
127.03904	3.8
129.01802	0.5
132.02051	0.9
133.02853	5.7
134.03679	1.5
135.04413	12.8
137.02328	1.0
139.03871	0.3
145.02881	0.6
150.03151	0.7
151.03920	1.2
155.03391	0.9
155.04842	0.4
158.03630	0.8
159.04459	1.4
160.01582	0.7
161.02353	1.5
171.02922	1.1
171.04431	1.4
171.10283	0.3
172.05208	2.6
173.02286	0.6
173.04469	6.2
173.05991	1.5
174.03137	3.6
177.01857	1.8
178.02640	1.0
179.03398	2.7
183.04431	5.0
184.05211	0.9
185.02341	0.5
185.05994	0.9
186.03198	0.6
187.03885	0.8
191.05533	100.0
192.05865	2.6
197.06065	0.4
198.06757	0.4
199.03951	0.9
199.07652	0.3
200.04730	0.4
202.06317	0.3
214.02687	0.5
215.03427	0.3
215.05559	1.0
227.03479	2.6
228.04066	0.6
233.06587	1.3
237.12810	0.5
253.12338	0.9
255.10231	1.9
255.13808	0.7
269.11758	0.4
271.13455	0.6
273.11298	1.3
277.21747	5.5
281.11865	4.6
282.11896	0.3
283.09799	1.9
283.13208	0.4
297.11398	0.9
299.12848	3.6
300.13058	0.4
301.10828	2.0
307.08505	0.3
308.09012	0.7
309.14987	1.0
315.12466	0.4
325.10797	9.1
326.11047	1.0
341.23221	0.3
343.11737	1.9
351.07211	2.2
352.07797	0.7
353.13971	0.6
397.13367	0.3
537.19519	0.4
543.18353	0.3
561.19714	0.5
573.15594	0.3
579.21045	1.4
779.40063	1.1
795.43036	1.4
796.43170	0.5
797.41113	5.7
798.41345	0.9
811.43036	1.8
812.43079	0.4
813.44147	0.7
821.41046	3.4
822.41638	0.8
839.42151	56.8
840.42480	12.2
857.43188	1.5
1013.47498	11.7
1014.47870	3.4
1031.48523	31.5
1032.48816	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
72.65077	0.2
72.99156	0.2
73.02793	0.5
81.03329	0.8
83.01251	0.2
83.04894	1.1
85.02821	19.6
86.03159	0.3
87.00747	4.5
89.02306	0.6
92.26551	0.2
93.03329	10.7
95.01264	0.4
97.02847	0.3
98.20605	0.3
99.00762	0.3
99.04390	1.0
99.92444	0.2
101.02347	0.5
101.43190	0.2
108.02061	0.3
109.02837	1.9
111.04405	2.4
113.02322	0.4
116.91503	0.2
116.92728	0.5
125.02328	0.4
127.03898	4.3
127.53186	0.2
133.02847	0.7
134.03630	0.3
135.04408	0.9
137.02422	0.3
143.04848	0.2
145.02826	0.2
155.03343	0.3
158.03632	0.6
159.04396	1.0
160.05145	0.2
161.02328	0.7
168.14156	0.2
171.02908	1.2
171.04420	0.5
171.10231	0.2
172.05231	3.1
173.02319	0.5
173.04465	2.6
173.05894	0.4
174.03145	2.2
175.03831	0.2
179.05522	0.2
183.04333	0.3
185.05965	0.5
186.03194	0.6
187.04002	1.0
191.05533	100.0
192.05885	2.5
197.05959	0.6
198.06778	0.5
199.03949	3.3
200.04668	1.3
201.05539	0.3
202.06290	0.4
203.03427	0.3
204.04265	0.6
209.11766	0.5
211.03909	0.6
211.07382	0.2
213.05511	0.4
214.06311	0.2
223.13274	0.5
227.03450	7.1
228.04211	3.0
232.03758	0.2
233.06630	0.6
237.16371	0.3
240.04234	0.2
245.19148	0.3
249.18576	1.4
253.12219	0.2
255.13945	0.3
257.15482	0.3
267.13910	0.3
281.15436	1.6
283.13416	9.0
284.13760	0.5
289.18066	0.5
297.14996	0.3
299.16449	0.4
301.14456	1.9
307.19119	0.6
309.14963	9.4
310.15341	0.6
311.12897	2.7
312.13309	0.3
325.14389	1.4
327.12378	0.5
327.15955	4.7
327.21887	0.5
328.16461	0.2
329.13879	2.5
341.23184	0.3
343.15393	0.5
345.13370	0.2
353.13904	9.0
354.14243	0.6
371.14938	3.2
397.13577	0.3
427.17804	0.2
440.94073	0.2
459.23227	0.3
504.46310	0.2
563.23999	0.3
565.22626	0.3
589.22528	1.0
607.23993	4.0
608.23969	0.3
646.98944	0.2
769.42151	0.3
779.39917	0.5
795.40381	1.8
796.41956	0.4
797.41058	3.6
798.41559	0.6
811.42468	1.1
813.43481	1.0
821.41321	2.2
822.42291	0.3
839.42200	50.1
840.42487	9.1
857.42767	1.9
858.42480	0.3
1013.47437	5.5
1014.47668	1.4
1031.48633	8.3
1032.49146	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5639
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	10.3
72.99168	0.9
73.02807	1.0
76.50717	0.7
83.01268	0.7
83.04881	1.4
84.02026	0.7
85.02821	7.7
87.00741	2.8
88.98674	1.3
89.02313	8.7
93.03340	0.7
95.01286	1.2
96.95889	1.6
97.02847	3.5
97.06471	2.2
99.00761	0.7
101.02331	7.5
109.06509	0.9
111.00806	0.6
111.08062	2.9
113.02323	4.1
116.92744	1.0
119.03403	2.2
123.08053	0.8
125.02353	2.8
125.09663	1.4
127.11172	1.5
137.09610	2.4
143.03435	1.5
155.10602	1.2
161.04459	2.1
163.11221	0.8
165.12743	1.5
169.12267	0.8
171.10170	16.9
172.10512	0.8
177.12820	0.9
179.05588	2.6
181.12245	0.9
183.13780	3.1
191.05542	1.2
193.12341	1.0
193.82716	0.6
194.59358	0.5
197.11755	14.6
198.12025	0.9
199.13248	0.7
201.11171	0.7
209.11786	2.3
211.13342	14.5
221.06653	1.6
221.11761	3.1
227.12875	1.2
229.14401	9.9
235.08192	2.2
239.12888	1.7
247.20699	0.9
263.20065	0.8
273.18576	0.8
291.19672	12.4
292.19968	1.4
293.21146	1.5
305.08777	1.3
309.20712	44.6
310.20984	3.2
327.21756	100.0
328.22064	7.8
333.60971	0.7
341.10770	0.6
343.21313	1.8
369.23123	0.6
379.12213	0.7
391.36041	0.6
397.13480	27.4
398.13766	1.7
415.14563	20.0
416.14682	1.3
602.64966	0.6
619.41901	4.3
707.35016	9.8
708.35413	0.8
717.38306	0.6
725.36334	6.5
726.36523	1.0
927.48163	1.3
1017.54834	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	15.0
72.99187	1.0
73.02811	2.0
75.00744	3.4
77.62882	0.2
83.01256	2.0
85.02821	7.7
85.99983	0.3
87.00751	2.8
89.02312	5.5
92.13819	0.2
95.01259	2.7
96.95884	0.2
97.02805	0.4
99.00758	6.1
101.02325	7.9
103.43751	0.2
106.81299	0.2
111.00776	0.4
112.01536	0.2
113.02328	7.7
115.00256	0.3
119.03391	2.7
125.02338	0.3
128.06624	0.2
129.01840	0.2
131.03398	3.3
135.04449	0.2
135.25461	0.2
139.00253	0.7
143.03394	1.0
157.01320	0.4
159.02870	0.7
161.03207	0.3
161.04463	4.5
179.05533	1.5
191.05534	0.4
200.07614	0.2
221.06601	5.8
263.07660	0.4
335.07266	0.2
437.34531	0.3
453.33701	4.0
454.33783	0.5
455.35260	3.3
456.35709	0.4
497.36273	0.6
523.37927	4.4
524.38153	0.8
537.35864	1.0
551.37238	0.6
567.36609	0.8
569.38519	2.1
570.38361	0.2
587.39453	0.6
595.36462	0.2
613.37573	2.6
614.37793	0.4
631.38086	0.3
713.42578	0.7
731.43292	1.0
937.47974	1.1
938.48456	0.3
955.48987	100.0
956.49261	20.7
972.12518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
73.11492	0.1
84.99591	0.1
98.19810	0.5
100.41637	0.2
103.57060	0.1
108.02068	0.5
123.00758	0.2
124.00346	0.1
124.01485	0.2
135.00763	0.3
140.15445	0.2
148.01596	0.5
151.00258	0.7
155.02531	0.2
163.00221	0.8
164.00964	0.4
174.03287	0.2
183.04541	0.2
184.05177	0.2
192.00673	0.1
199.03905	0.3
202.02597	0.2
206.34805	0.2
211.03888	0.2
216.04207	0.3
226.02675	0.5
227.03491	1.1
228.04179	0.7
243.02943	7.4
244.03716	2.1
247.78328	0.1
254.02130	1.6
255.02959	15.9
256.03387	1.2
259.06058	1.0
267.84882	0.2
271.02466	29.0
272.03116	5.3
273.03473	0.2
277.54013	0.2
277.56900	0.2
287.05637	1.7
299.01904	0.8
300.02731	42.4
301.03079	2.8
314.04266	0.2
315.05087	100.0
316.05417	6.5
395.00745	68.1
396.01062	3.5
460.13977	0.2
520.17999	0.2
905.21356	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	4.0
73.02828	1.0
81.03324	1.6
82.08479	0.3
83.04905	2.1
85.02821	14.4
87.00752	9.7
93.03333	45.5
94.03674	0.8
95.01262	0.4
95.04911	1.1
96.95876	0.4
97.02863	0.9
99.00767	0.7
99.04379	0.7
101.02367	0.7
105.03346	2.9
107.04899	1.4
108.02027	2.1
109.02827	5.7
111.00742	1.3
111.04406	5.6
121.02831	2.1
122.03619	0.9
123.00774	0.4
123.04385	1.0
124.01558	3.9
125.02338	1.4
126.03143	0.6
127.03925	3.2
132.02100	3.0
133.02846	22.7
134.03661	5.7
135.04413	76.7
136.04720	2.1
137.02322	3.0
139.03883	0.9
141.24318	0.3
147.04410	0.5
148.05220	0.6
149.02344	1.0
150.03114	2.8
151.03911	7.0
153.01758	0.4
155.03403	1.0
159.04401	0.8
160.01552	2.3
161.02350	6.7
163.03880	0.7
171.02896	1.3
172.05196	0.6
173.04486	9.7
173.05971	0.8
174.03075	1.1
175.03894	0.5
177.01831	5.3
178.02596	3.5
179.03423	15.5
180.03871	0.7
181.08673	0.8
183.04332	0.5
187.03957	1.0
187.07602	0.4
189.05389	0.5
191.05534	100.0
192.05894	3.0
194.02150	0.5
199.03992	0.8
200.04710	0.9
201.05524	0.5
202.06224	0.7
209.11766	2.3
211.13351	0.9
213.05487	0.6
215.05496	3.6
227.03432	0.4
228.04274	0.8
255.10280	0.5
255.14209	0.5
271.13284	0.5
281.11926	1.8
282.12152	0.5
283.09885	0.5
283.13290	0.5
290.07602	0.7
296.31992	0.4
297.11295	1.2
299.12866	1.3
307.08243	1.6
308.08987	3.9
309.15051	1.2
315.12173	0.4
325.10886	3.1
325.14322	0.7
327.16006	1.2
337.26434	0.4
343.11841	0.6
344.11890	0.5
351.07230	8.4
352.07797	2.7
353.09528	0.5
353.14017	1.4
371.14917	0.5
429.18909	0.4
468.80759	0.4
522.85907	0.5
607.23883	0.6
745.33521	1.1
761.33612	0.4
763.35468	1.1
771.32257	1.6
789.33392	27.1
790.33508	4.6
807.34717	1.8
821.35974	17.0
822.35968	2.4
839.36829	0.8
963.38501	2.2
964.39502	0.9
981.39655	26.1
982.39777	5.2
995.40723	1.7
1013.42310	58.4
1014.42566	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	4.8
71.02748	1.1
73.87029	0.5
76.82342	0.7
81.03324	2.0
81.94128	0.6
83.01259	0.7
83.04895	2.5
85.02819	14.9
87.00748	12.6
93.03333	68.7
94.03664	1.5
95.01268	1.1
95.04908	1.4
96.95894	1.9
97.02834	0.9
99.00783	1.3
99.04354	0.7
101.91217	0.6
105.03349	3.9
106.68106	0.7
107.04910	1.1
108.02048	2.0
109.02826	5.5
111.00810	0.6
111.04410	8.0
111.51447	0.5
112.30181	0.7
121.02842	2.4
122.03609	1.1
123.04408	1.1
124.01576	2.7
125.02337	1.0
127.03913	3.6
129.01820	1.6
132.02057	4.5
133.02853	36.4
134.03683	7.4
135.04416	65.2
136.04785	1.7
137.02341	3.6
139.03925	1.4
145.02983	0.6
149.02361	1.0
150.03078	2.9
151.03911	6.5
155.03397	2.4
159.04425	1.1
160.01526	3.4
161.02356	11.0
161.03687	0.8
161.06021	0.7
163.03934	0.7
169.94713	0.5
171.02950	1.3
172.05177	0.8
173.04468	13.9
175.03938	0.6
177.01855	9.2
178.02626	4.9
179.03421	14.6
180.03734	0.8
183.10103	0.9
185.00829	0.8
187.03847	0.8
189.05377	0.7
191.05537	100.0
192.05879	2.3
194.02074	0.7
209.11763	5.8
215.05518	6.4
227.12859	0.8
228.04289	0.7
255.10345	1.2
281.12006	1.3
299.12848	1.9
307.08154	1.2
308.09015	2.1
325.10794	2.8
343.11945	0.7
351.07199	11.2
352.07825	2.2
353.08963	0.6
763.35669	0.8
789.33392	15.0
790.33746	3.4
807.35083	1.5
821.35870	7.7
822.36060	1.0
963.37964	1.1
981.39764	37.0
982.40057	6.0
995.39703	1.1
1013.42346	75.3
1014.42584	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95604	0.3
81.27230	0.1
87.82373	0.1
94.34653	0.1
95.99073	0.2
107.01266	0.3
107.70154	0.1
108.02077	0.5
135.00760	0.3
148.01579	0.6
151.00269	0.5
163.00299	0.9
163.01474	0.1
164.01068	0.3
174.03177	0.2
188.04707	0.2
195.09412	0.2
199.03941	0.2
200.04652	0.3
202.02722	0.2
209.67628	0.1
211.04018	0.2
215.03500	0.2
216.04172	0.4
219.06461	0.2
226.02626	0.5
227.03426	1.2
228.04167	0.3
243.02936	6.6
244.03633	1.7
254.02141	1.3
255.02966	12.7
256.03574	1.1
259.06024	0.7
271.02469	25.0
272.03107	5.1
273.03394	0.2
287.05627	1.8
299.02036	0.5
300.02731	40.1
301.03046	2.5
315.05084	100.0
316.05399	7.7
395.00745	56.5
396.01019	4.2
754.16705	0.2
971.23553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6238
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07372	1.8
71.75039	0.3
81.03416	0.3
81.07027	0.5
86.09694	25.1
91.05470	0.3
93.07027	0.4
95.08566	0.5
98.98459	2.3
104.10724	2.3
124.99989	15.9
137.61055	0.2
169.51819	0.3
173.47298	0.2
177.87723	0.2
183.63585	0.3
184.07320	100.0
185.07692	0.7
197.93370	0.2
274.49530	0.3
306.09238	0.3
502.32983	1.8
520.33948	21.5
521.34399	0.7
577.20697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58071	0.3
71.01256	13.3
71.04874	0.3
72.99166	0.9
73.02818	1.8
75.00732	0.4
81.03316	0.6
83.01250	1.2
83.04887	0.6
84.02041	0.6
85.02824	8.8
87.00748	2.8
89.02321	10.0
93.03330	0.4
95.01248	0.7
95.04892	0.5
96.95876	0.3
97.02828	3.2
97.06477	2.1
99.00731	0.8
101.02328	8.4
109.06472	0.3
111.04428	0.4
111.08058	0.6
113.01630	0.4
113.02339	5.2
115.99590	0.2
117.86321	0.2
119.03380	2.4
121.02747	0.3
121.10078	0.3
123.04395	0.4
123.08080	0.3
125.02341	3.3
125.09626	0.8
125.21560	0.2
127.11169	1.0
127.53396	0.3
131.03366	0.5
133.02867	0.4
137.09639	2.1
141.01813	0.5
141.09163	0.3
143.03415	1.4
155.10674	0.9
160.53127	0.2
161.04446	2.0
165.09103	0.3
165.12683	0.3
167.10701	0.2
167.14394	0.4
171.10182	21.0
172.10532	1.0
177.12802	0.7
179.05562	2.9
179.10689	0.4
179.14226	0.6
180.48042	0.2
181.12242	0.3
183.10429	0.3
183.13890	2.1
185.11769	0.7
187.25613	0.3
191.05507	0.7
193.12233	0.9
195.13837	5.6
196.14383	0.3
197.11763	0.6
201.11232	1.0
203.10471	0.4
205.12274	0.4
205.16011	0.3
209.11763	1.0
211.13348	10.8
212.13576	0.4
221.06630	0.9
221.11790	1.6
223.13362	3.5
225.14900	0.4
227.12910	0.4
228.13625	0.6
229.14404	7.1
230.14796	0.7
231.21036	0.4
235.08237	2.5
239.12854	1.4
253.09322	0.8
256.13156	0.8
263.07709	0.5
275.20172	3.6
287.07635	0.7
291.19653	3.0
292.19983	0.3
293.21225	57.9
294.21570	3.9
305.08789	0.8
307.18857	0.3
309.20715	6.6
310.20987	1.0
313.20154	0.8
323.09747	0.8
327.21765	100.0
328.22095	6.2
341.23239	0.3
351.21902	0.3
389.14337	0.3
397.13495	30.8
398.13791	1.6
415.14584	20.2
416.14648	1.2
603.42554	4.4
604.42712	0.3
654.27551	0.6
691.35352	5.0
692.35480	0.4
707.34930	6.7
708.35645	1.1
725.36041	4.8
726.36230	0.5
1001.57153	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6032
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	9.1
69.07066	20.0
71.04968	3.4
73.02917	2.8
77.03916	1.4
79.05016	1.7
79.05485	55.3
81.03402	11.5
81.07046	74.0
83.04980	7.4
83.08606	13.1
85.02888	14.1
85.06547	4.1
87.96496	1.6
91.03945	4.0
91.05467	49.6
93.07032	72.6
95.04951	10.2
95.08595	55.8
97.02873	6.9
97.06505	8.3
97.10173	8.6
99.04447	2.0
99.08118	2.3
103.05488	1.4
105.07016	35.4
107.04927	3.8
107.08581	41.2
109.02859	1.7
109.06496	5.0
109.10143	37.4
111.04452	1.6
111.08087	3.8
115.05433	2.7
117.07005	16.5
119.08564	27.1
121.06483	3.9
121.10123	28.0
123.08073	2.9
123.11732	7.0
125.09605	7.3
127.03870	6.3
128.06198	2.6
129.05449	1.7
129.06998	5.5
131.08545	22.1
133.06479	2.7
133.10115	21.9
135.07994	2.6
135.11694	13.9
137.09590	4.4
137.13182	1.9
141.06995	2.1
142.42531	1.3
143.08553	6.8
145.04932	1.9
145.10118	17.8
147.08038	1.7
147.11690	12.0
149.09634	6.6
149.13234	10.3
151.11147	2.1
155.08546	3.7
157.10107	4.9
159.11688	15.3
161.13234	8.1
163.11198	3.7
163.14792	2.1
165.12833	1.5
169.10110	4.5
171.11673	5.6
173.04474	2.1
173.11688	3.9
173.13260	8.1
175.11197	1.6
175.14764	2.6
183.11679	3.2
185.13242	3.6
187.14822	3.6
189.11205	3.2
189.16383	1.8
195.13820	2.9
197.13078	1.8
201.16345	2.3
203.14162	1.7
219.17537	2.1
227.12798	9.6
229.14313	21.3
235.16907	1.6
239.17886	3.4
241.19344	2.1
243.21138	4.1
255.15701	1.9
257.18994	7.8
259.20621	2.9
261.22141	13.8
269.17514	10.2
275.20001	25.7
293.21225	2.5
299.64413	1.3
305.24863	1.6
309.20395	6.3
317.24905	2.3
331.22705	2.5
333.24103	3.2
335.25775	100.0
336.26071	4.2
340.57715	1.3
349.23691	22.8
350.24393	1.5
367.25027	1.7
405.26910	1.4
489.35693	20.7
507.37000	1.8
515.37152	5.7
529.20306	1.5
529.31256	2.3
529.38892	36.5
530.39240	2.6
543.40582	3.1
551.41547	2.0
569.42004	23.3
605.74622	1.4
609.45117	41.2
610.44757	2.1
627.46564	8.0
628.46228	1.9
663.70154	1.4
773.70245	1.6
958.72534	1.5
986.56610	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
68.78599	0.7
69.03423	7.7
69.07047	2.7
70.06590	0.9
70.47425	0.8
70.47768	2.5
71.04971	2.2
72.00159	0.7
73.02509	1.4
73.02905	18.6
79.05478	17.0
81.03407	4.3
81.07040	21.5
83.01296	1.0
83.04919	1.4
83.08596	2.6
85.02889	80.1
85.06521	2.2
86.09693	0.8
91.03938	66.7
91.05458	10.6
93.07026	20.5
95.04930	1.6
95.08592	16.7
97.02875	39.0
97.06498	1.6
99.04433	4.1
99.08052	2.1
103.03922	2.8
105.07011	6.7
107.08571	12.6
107.09245	1.4
109.02852	2.7
109.06507	1.3
109.10141	10.7
111.08080	0.9
113.09659	1.0
115.03917	3.9
117.05454	1.1
117.06983	3.9
119.08562	6.6
121.10127	14.7
123.11664	6.6
127.03889	31.2
129.05544	1.1
131.08539	9.9
133.10098	8.9
135.11668	17.6
137.09593	1.9
137.13235	2.0
139.11142	1.0
145.04933	45.8
145.10101	8.5
147.11668	5.7
149.09604	1.6
149.13228	12.1
151.11131	1.2
159.11679	8.3
161.13168	1.7
163.05989	100.0
164.06218	1.0
171.11755	0.8
173.13210	5.9
177.12682	1.3
181.06938	0.8
187.14833	1.9
191.14165	0.9
201.22174	0.7
204.08647	1.7
205.19478	3.0
215.17912	31.4
233.18967	44.1
234.19429	0.8
235.15199	0.6
237.56064	0.8
241.07111	0.9
251.19977	2.4
307.10260	1.1
307.22607	16.7
325.11258	12.7
325.23688	33.0
357.53351	0.6
377.23126	0.9
469.27850	6.7
559.47595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	7.7
69.06679	0.4
69.07056	8.0
70.93334	0.6
71.01338	1.2
71.04977	0.9
71.08617	0.6
73.02903	12.7
74.09688	0.3
79.05484	3.9
81.03408	3.1
81.07041	18.1
83.01328	0.9
83.08144	0.5
83.08604	6.2
85.02889	82.1
87.04456	1.1
91.03938	40.4
91.05445	3.7
93.07028	11.7
95.01313	16.4
95.04954	0.6
95.08591	36.8
97.02873	39.4
97.10146	4.1
99.00816	2.1
99.04433	3.6
101.02364	1.0
103.03928	4.6
105.04527	0.3
105.07005	8.1
107.08573	21.6
109.02860	4.8
109.10136	23.2
111.11714	1.4
113.02344	2.7
115.03928	2.9
117.05466	1.0
117.07038	0.7
119.08556	15.8
121.10124	21.4
122.10422	0.3
123.00758	1.1
123.11687	12.1
127.03893	39.2
131.03381	1.7
131.08542	3.4
133.10101	13.6
135.11670	17.5
137.13220	7.7
139.03925	0.4
139.07465	0.7
141.01801	72.4
142.02150	0.9
143.08556	0.8
145.04933	61.8
145.10097	5.9
146.05304	0.6
147.11659	10.6
149.13229	18.5
151.07466	0.3
151.14810	1.2
153.09091	2.4
157.10129	0.6
159.02867	20.1
159.11684	3.9
161.11885	0.5
161.13232	7.5
163.05989	100.0
163.14789	6.2
164.06349	0.8
165.09097	0.7
167.10641	0.9
171.11694	1.2
173.13240	3.5
175.11095	0.3
175.14795	7.0
177.03906	6.2
177.16347	5.0
179.10611	1.5
179.17900	1.6
180.08614	0.3
181.07056	0.9
181.12167	0.3
185.13199	0.4
187.14787	4.1
189.16353	23.2
190.16711	0.6
191.17914	40.1
192.18260	0.5
193.12221	0.7
193.19521	0.9
195.04977	0.3
199.14793	0.6
200.05467	0.3
201.16351	27.5
202.16733	0.7
203.17918	32.4
204.08722	1.7
204.18199	0.5
205.07013	0.4
205.19485	24.4
207.13736	0.5
207.17390	1.3
213.16325	1.9
214.68434	0.3
215.17908	10.6
217.16025	0.4
217.19473	6.6
218.06552	0.4
219.17354	1.0
219.21114	0.8
221.15311	1.1
221.18996	0.8
227.17856	1.1
229.19495	1.2
231.17317	0.6
231.21060	2.0
233.15355	0.8
235.16893	5.2
241.19408	1.6
243.05011	0.3
243.21056	3.5
245.22682	3.0
247.16890	16.0
249.18459	6.1
255.21025	2.0
257.22638	1.5
259.17001	0.6
261.18475	5.6
269.22403	1.4
271.08035	0.4
273.18564	0.4
275.20044	0.8
283.24072	0.4
285.05942	3.5
287.20090	0.9
289.09097	0.6
289.21536	2.1
301.21448	0.9
303.07068	6.0
315.23026	1.0
321.08102	17.7
325.11246	5.8
339.09152	7.5
343.26410	0.6
351.30368	0.4
355.26300	0.7
369.27759	0.4
393.35086	9.9
394.35455	0.3
411.35922	1.2
421.34741	0.8
439.35660	78.1
440.36087	2.8
480.15668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6192
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	37.1
67.69459	1.3
69.03419	6.2
69.07071	16.8
69.60784	13.4
71.04978	3.1
71.08626	24.4
73.02896	2.3
79.05485	22.7
81.03408	6.4
81.07050	40.6
83.04970	5.7
83.08606	16.2
85.02914	11.1
85.06521	2.8
85.10168	14.7
89.05983	2.3
91.03947	3.1
91.05475	18.8
93.07035	26.3
95.04950	5.8
95.08601	32.9
97.02886	7.1
97.06508	8.1
97.10152	9.0
99.04438	1.9
99.11735	2.0
105.07019	18.4
107.04955	5.1
107.08578	18.8
109.02867	1.8
109.06516	4.1
109.10143	18.2
111.08056	2.9
117.06982	8.8
119.08572	13.2
121.10121	7.5
123.08041	2.8
123.11676	5.0
125.09611	4.0
127.03946	3.9
129.07007	3.7
131.08553	10.3
133.10121	11.6
135.08069	2.8
135.11664	5.7
137.09636	1.8
143.08554	1.9
145.04901	2.5
145.10101	8.6
147.11685	5.8
149.09587	7.0
149.13245	5.4
153.09062	1.9
153.88535	1.6
159.11673	6.5
161.96896	1.5
163.11130	3.7
171.11685	2.8
173.04492	1.8
173.13234	2.0
177.12662	3.0
189.11261	2.5
221.22858	1.4
227.12767	10.1
229.14317	6.0
239.18073	1.9
239.23695	4.1
247.20538	1.5
255.15933	3.6
257.19016	5.6
269.17404	15.2
275.20032	23.7
313.27328	100.0
314.27832	3.5
331.22702	2.6
341.26910	1.6
349.23633	23.4
367.24655	2.4
467.37323	8.1
493.38760	11.3
507.40414	53.6
508.40717	3.4
547.43518	7.9
587.46619	37.8
588.46234	2.1
589.78021	1.8
605.47705	8.5
650.38617	1.8
749.50977	2.2
781.75336	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05182	0.2
67.05498	2.6
68.50306	0.2
69.07056	17.6
69.57790	1.5
71.08620	4.4
75.04453	0.4
79.05485	1.7
81.03391	0.2
81.07043	3.8
83.04952	0.5
83.08605	18.9
84.08932	0.3
85.10168	2.5
91.05464	0.4
93.07027	2.7
95.04926	0.3
95.08591	3.4
97.06516	1.9
97.10153	14.1
98.98450	6.7
99.08018	0.2
105.07018	0.4
107.08569	1.9
109.10148	1.5
111.08063	0.8
111.11702	3.7
115.07549	0.2
117.10425	0.2
121.10123	2.3
123.11658	0.7
125.09584	0.6
125.13249	0.8
131.40436	0.2
135.11676	2.0
137.13260	0.4
139.11168	0.4
149.13235	1.1
151.14761	0.2
153.12730	0.3
155.01016	3.2
163.14830	0.3
173.02078	0.8
219.21089	0.4
221.99510	0.2
227.19926	0.3
229.04672	0.4
237.22076	0.8
247.05739	0.8
311.25748	100.0
312.26123	2.4
391.22070	0.3
447.25076	4.6
465.25964	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	7.3
69.03429	14.1
69.07056	11.1
71.74557	1.6
73.02909	19.7
79.05479	5.8
81.03405	2.1
81.07044	28.4
83.08608	7.9
83.55319	1.4
85.02897	56.8
87.04453	1.8
91.03928	1.9
91.05469	6.8
93.07025	19.6
95.01320	9.4
95.08595	52.7
97.02880	39.9
97.10148	6.5
103.03947	3.1
105.07024	14.2
107.08572	27.4
109.02880	3.4
109.10147	34.0
111.11716	2.3
113.02334	1.6
115.03915	22.4
117.06924	2.1
119.08563	22.3
121.10124	27.1
123.00669	1.7
123.11703	18.8
126.97336	1.5
127.03886	13.5
131.03329	2.0
131.08537	4.2
133.04982	7.5
133.10117	16.6
135.10718	2.8
135.11685	23.2
137.13235	9.4
141.01808	50.8
145.04942	30.6
145.10098	9.1
147.11650	15.9
149.13242	22.3
153.09102	3.4
159.02817	11.1
159.11665	5.6
161.13257	9.9
163.06010	16.9
163.14835	7.4
167.10553	1.7
173.13205	5.4
175.14792	9.7
177.03938	3.7
177.16357	7.5
179.10689	1.8
179.17885	2.1
185.13103	1.5
187.14758	4.7
189.16376	30.7
191.17921	53.5
201.16374	40.0
203.17938	46.1
205.19489	37.1
213.16298	1.6
215.17911	17.8
217.19441	9.5
227.18085	2.0
229.19662	1.9
231.21028	2.7
235.16911	4.5
241.07162	2.3
241.19606	2.3
243.21071	4.7
245.22647	4.6
247.16914	22.4
249.18433	12.4
255.21220	2.1
257.22461	2.1
261.18488	9.1
269.22507	2.1
273.05994	4.1
273.28430	1.6
289.21710	3.7
291.07135	2.1
295.10205	7.8
301.21436	2.1
309.08044	2.4
321.08191	13.9
393.35123	19.2
411.36179	2.5
439.35687	100.0
440.36032	3.3
566.74054	1.9
576.93396	1.7
609.99622	1.9
698.47455	1.9
823.44897	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6139
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	65.0
69.03406	2.5
69.07064	16.8
70.06697	5.8
71.04967	2.4
73.02898	4.4
75.03179	0.9
78.08395	0.9
79.05486	36.1
81.03384	1.7
81.07049	64.8
83.08620	7.9
85.02898	16.7
85.06512	1.9
91.03948	9.5
91.05472	20.6
93.07034	44.9
95.04947	3.2
95.08598	51.7
97.02895	8.9
97.06505	2.8
97.10143	3.0
98.22543	1.3
99.08091	1.6
105.07015	21.2
107.08578	24.9
109.06516	1.8
109.10145	23.0
116.10380	1.2
117.07024	7.5
119.08580	15.4
121.10137	24.4
123.11704	8.6
127.03893	4.2
129.06949	1.9
131.08549	15.8
131.71588	1.0
133.09314	1.3
133.10136	15.0
135.11690	15.5
137.13228	4.2
143.08562	3.3
145.04922	6.0
145.10118	10.0
147.11678	10.7
149.13246	9.6
157.10101	1.7
159.11696	10.5
161.13251	8.0
163.06036	7.4
163.14828	8.1
171.11609	2.6
173.13240	8.4
175.14790	4.1
177.16393	1.7
185.13275	3.1
187.14778	5.2
191.14447	1.1
199.14743	1.8
201.16193	1.5
241.19518	4.6
243.20995	5.2
245.22693	1.9
257.18970	1.2
259.20517	10.2
261.22122	19.7
263.23663	1.8
299.23892	1.2
315.23026	1.7
317.24686	3.2
333.24219	9.1
335.25775	100.0
336.26004	3.2
337.27328	15.2
503.36850	1.4
521.43292	3.3
539.44226	1.2
595.47046	18.6
596.47858	1.5
613.38757	1.2
613.48224	21.5
614.48590	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.0
67.05502	14.3
69.03423	9.9
69.06728	0.6
69.07069	6.0
71.01342	1.6
71.04977	1.6
71.55831	1.2
73.02906	7.9
79.05489	9.0
81.03407	4.0
81.06602	0.8
81.07050	13.2
83.04966	1.4
83.08610	4.2
85.02902	21.0
87.04456	0.9
91.03950	12.0
91.05476	8.2
93.07043	10.0
95.04961	1.9
95.08604	11.2
97.02887	17.9
97.06520	1.8
97.10151	2.2
99.04436	1.8
101.02371	2.5
103.05480	1.1
105.07012	7.8
107.04955	1.1
107.08579	6.8
109.02853	2.2
109.06493	0.9
109.10152	4.8
111.04407	0.6
111.08109	1.0
113.54588	0.6
115.03990	1.4
117.07002	5.5
119.08578	8.5
121.10173	4.5
123.08038	1.1
123.11689	1.3
125.09554	0.8
127.03901	4.9
128.06218	2.2
129.07005	6.3
131.08559	7.2
133.10133	4.8
135.08022	0.7
135.11720	3.1
141.06975	3.7
142.07776	1.3
143.08524	8.2
145.04941	2.8
145.06488	0.8
145.10135	6.2
147.11691	3.1
153.07024	0.7
154.07822	0.9
155.08569	7.1
156.09343	0.8
157.10118	7.3
159.11670	5.4
161.09541	0.6
161.13231	1.1
163.06056	1.0
163.14900	0.9
165.06967	1.0
167.08585	4.0
168.09386	0.9
169.10120	8.3
171.11697	7.1
173.13254	3.8
175.14825	1.1
179.08572	1.8
180.09344	1.0
181.10107	5.6
182.10837	0.6
183.11688	7.6
185.13229	5.0
187.14832	2.5
193.10078	1.5
194.10880	1.0
195.11711	6.3
196.12361	0.8
197.13222	5.3
199.14771	3.6
201.16498	1.3
205.10223	0.7
207.11665	3.0
208.12343	0.6
209.13245	4.9
211.14804	4.1
211.16547	0.7
213.16400	2.5
219.11714	1.2
221.13261	2.0
223.14832	3.7
225.16350	3.0
227.17996	1.2
233.13324	1.3
235.14853	1.9
237.16371	2.3
239.18007	1.9
245.13260	0.6
247.14737	1.0
249.16423	1.5
251.17981	1.7
253.15962	0.7
253.19498	0.8
261.16422	0.8
263.17996	0.7
265.19641	1.1
279.21048	0.7
281.22455	0.9
299.20605	0.7
299.23798	0.6
307.20313	1.0
313.21817	0.9
321.22159	1.0
321.25861	1.0
327.23343	0.7
349.25229	1.0
353.24896	0.7
365.28271	0.9
367.26169	1.0
377.28433	0.9
391.30093	0.9
393.31622	0.7
433.48248	0.7
447.32526	0.9
501.35648	1.4
507.35098	0.6
517.40778	3.8
527.37183	1.0
535.42041	1.0
539.37976	1.3
541.39117	1.1
553.40503	0.7
567.40112	0.9
573.42786	0.8
591.44080	5.1
607.43475	2.5
609.45093	100.0
610.45459	6.8
611.46283	0.8
621.45062	2.2
633.45258	1.2
643.42743	1.1
651.46075	2.1
663.46198	0.8
675.46069	0.8
699.45758	1.0
735.47882	2.6
753.49231	3.2
771.50397	24.8
772.50269	2.1
877.06873	0.7
933.55688	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.582
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	5.5
67.05499	100.0
69.03416	5.7
69.07062	20.8
70.78487	0.9
71.04971	5.4
71.75323	1.5
73.02923	8.4
79.05485	78.3
81.03387	3.1
81.07048	99.1
83.04961	3.7
83.08604	12.3
85.02899	41.3
85.06535	4.6
91.03951	26.7
91.04540	1.8
91.05468	50.0
93.07034	94.4
94.07387	1.6
95.04964	11.4
95.08595	67.1
97.02876	17.9
97.06520	5.0
97.10175	4.0
99.04450	2.4
99.08075	5.1
105.04515	1.7
105.07020	41.2
107.08581	41.1
107.09317	1.6
109.02892	1.8
109.06508	3.5
109.09395	1.5
109.10147	30.7
111.08063	4.2
111.11720	1.5
111.75861	0.9
113.09658	1.3
115.03977	1.9
115.05431	1.1
117.07000	14.4
119.08572	29.4
121.10133	42.0
123.08053	3.8
123.11697	13.8
125.09609	2.6
127.03899	11.3
128.06190	1.1
129.06963	4.8
130.07774	1.6
131.08556	29.2
132.08887	1.2
133.10112	36.0
135.08037	1.7
135.11682	34.1
137.09596	1.7
137.13242	4.9
139.11166	1.5
143.08557	5.6
144.06551	1.2
145.04959	9.6
145.10120	20.5
147.11670	24.1
149.09602	2.7
149.13229	17.1
151.11139	1.5
151.14833	1.7
157.10135	6.2
159.11681	16.9
161.13257	10.2
163.05991	15.5
163.11168	1.6
163.14806	5.4
169.10069	1.4
171.11688	6.4
173.13240	16.8
175.14771	6.5
175.42726	1.2
177.16309	1.8
183.11638	1.3
185.13237	4.2
187.14816	7.2
189.12708	1.2
189.16402	3.8
191.17947	2.0
197.13138	1.2
197.83325	1.0
199.14803	3.5
201.16348	2.2
203.17950	2.8
205.19511	3.0
213.16376	8.3
215.17921	22.6
217.15697	1.0
217.19452	3.6
231.17403	9.9
231.21042	2.0
233.18983	22.3
235.20490	1.6
241.19469	3.6
243.21089	5.5
259.20529	8.8
261.22137	15.6
263.23657	1.2
279.23276	1.2
285.21909	1.1
299.23724	1.6
305.21094	4.9
307.22641	87.4
308.23141	2.0
309.24213	11.7
317.24649	3.3
333.24268	7.7
335.25775	93.5
336.26242	1.7
337.27350	9.9
475.39551	1.6
489.35605	1.7
493.40384	5.1
511.41357	1.4
567.35767	1.9
567.44086	30.6
585.45148	31.0
586.45288	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03913	2.6
67.05497	54.9
69.03405	5.9
69.07050	11.0
71.04977	6.0
71.75274	2.6
73.02926	2.8
76.92270	1.7
77.03942	2.5
77.92468	2.4
79.05482	52.6
81.03409	78.4
81.06595	3.7
81.07046	49.9
82.20794	1.7
83.04964	6.2
83.08610	18.0
85.02888	11.0
85.06553	2.5
86.09705	2.0
90.89359	2.0
91.03934	8.3
91.05467	41.0
93.07034	55.5
95.04954	31.9
95.08596	31.8
95.29990	1.7
97.02870	7.9
97.06530	6.9
97.10155	8.1
99.08066	3.4
105.04441	2.0
105.07025	29.3
107.04960	6.4
107.08587	25.1
109.02869	1.7
109.06510	5.7
109.10152	16.0
111.08075	6.2
117.07017	11.3
119.08561	25.1
121.06470	5.3
121.10134	27.1
123.04502	2.4
123.08030	4.6
123.11700	5.4
125.09597	7.0
127.03919	3.3
129.07005	12.5
131.08560	21.2
133.06471	3.0
133.10092	18.5
135.08069	2.5
135.11685	22.4
137.09631	3.5
142.07741	2.6
143.08513	2.8
145.04929	3.3
145.10094	14.2
147.08029	3.6
147.11691	11.7
149.09596	5.6
149.13222	13.7
151.11108	2.8
157.10161	11.4
159.11665	14.5
161.09596	2.6
161.13199	4.9
163.05997	5.3
163.11197	5.5
169.10104	2.9
169.37396	1.7
171.11739	3.9
173.13243	8.3
175.07536	2.2
175.11122	10.7
175.14819	3.6
177.12737	2.2
184.07367	2.4
187.14793	3.4
189.11165	5.2
193.12233	18.1
205.19507	2.5
209.47220	1.9
211.13165	2.7
215.17931	27.5
227.12738	7.2
233.19003	23.2
255.21129	2.1
267.15872	100.0
273.22086	5.6
289.21542	2.6
307.22638	84.8
307.26212	4.5
309.16806	5.9
375.21594	2.1
407.24380	2.2
407.29581	3.9
410.52808	1.9
425.30304	7.3
443.31454	3.0
499.26828	3.5
499.34167	68.7
500.34698	2.1
517.35217	55.1
518.35345	2.5
531.36456	2.4
541.35468	9.8
583.35376	2.7
595.36646	2.5
607.36005	3.4
625.37164	2.2
643.38501	3.5
672.01807	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	1.5
69.03407	1.8
69.07076	1.3
70.06586	2.9
70.69775	2.6
71.04992	0.9
79.05489	1.5
80.05050	0.8
81.03418	2.3
81.07043	1.3
82.06577	2.3
83.04980	1.6
83.08602	5.6
84.08134	1.1
84.08965	1.3
85.02905	2.3
86.09708	1.3
87.00806	0.9
88.81522	0.8
91.05479	3.6
91.06782	0.8
91.51073	1.0
93.07045	3.5
94.06575	2.4
95.04943	1.6
96.08146	1.6
97.02896	1.0
97.90440	0.8
98.09719	1.9
100.07629	2.0
100.11249	30.6
101.07906	1.6
101.11574	9.4
102.11916	1.0
106.06533	1.2
107.07337	2.6
108.08114	4.4
109.02901	2.3
110.06090	1.4
110.09676	3.4
111.04437	3.8
111.06370	0.8
112.04809	1.4
112.07633	1.7
117.13901	1.2
120.08067	6.3
122.06022	7.8
122.09651	21.4
124.07636	1.2
126.05554	1.1
127.03953	1.5
127.08650	1.4
127.09553	1.0
128.07050	3.8
131.07314	1.0
136.07561	45.3
137.08221	0.9
138.09131	14.7
139.08662	1.9
140.07108	1.6
140.09048	1.0
140.10692	12.6
145.08864	0.9
146.09692	2.6
148.07591	1.0
150.09171	3.3
154.05026	0.8
160.11267	0.8
166.08673	1.5
168.10150	1.2
173.07092	1.1
174.09128	5.6
174.12759	0.8
175.05022	3.8
175.08649	1.0
177.06593	1.1
182.15390	11.6
183.09335	1.2
183.15701	6.9
184.16101	1.7
186.09235	0.9
187.08687	1.5
187.74255	0.9
188.10748	1.0
192.10291	2.0
198.07892	1.6
199.08591	5.0
200.10951	0.9
201.06702	2.6
202.12245	5.0
203.04599	1.8
203.08220	0.9
209.16434	8.2
209.36456	0.8
210.14940	13.3
210.16864	6.3
211.08647	7.3
211.15269	9.3
211.17174	2.7
212.07274	0.9
212.15567	3.3
213.06726	1.0
213.10278	1.4
214.12248	1.6
215.08093	1.0
216.10300	1.0
216.13791	7.9
220.09705	2.5
224.10896	1.6
225.06662	3.8
225.10214	1.2
226.07233	3.8
226.12378	1.7
226.19173	1.9
227.08127	23.9
228.10303	2.4
228.15964	1.5
229.06139	3.7
229.09978	1.1
230.11737	1.1
231.07576	1.4
234.11411	0.9
235.07205	1.2
239.08127	59.6
240.08469	1.5
241.09563	6.0
242.11795	5.5
250.08690	0.9
253.06181	2.3
253.09819	3.1
254.06958	3.6
254.10466	1.0
255.07660	6.5
255.11362	1.8
259.10986	0.8
265.09882	2.3
267.07758	17.0
267.11307	2.7
269.09637	1.0
269.12854	2.1
277.09927	1.0
281.09283	2.1
283.11011	1.5
285.08594	5.6
286.09579	3.7
287.10269	12.2
295.10861	2.8
297.12329	2.3
299.10245	51.2
300.10782	1.9
301.11948	1.5
311.10553	1.2
313.11987	2.2
315.13614	1.8
317.12836	1.4
323.10129	1.0
326.28311	1.2
327.14182	1.1
327.28555	1.4
334.15686	1.5
343.13281	1.4
344.14023	1.7
345.12292	1.5
345.16110	1.4
346.15616	1.2
347.13110	1.3
348.17249	1.1
362.14923	9.1
362.18552	1.1
364.16757	2.1
366.18286	1.2
370.15494	1.1
371.12982	0.9
372.13492	1.8
373.15558	4.6
374.15112	1.0
386.14642	2.4
388.16190	6.3
390.13913	4.0
390.18948	1.4
392.15805	1.6
392.20352	0.9
398.15009	1.2
399.13220	1.1
400.16592	3.9
401.14853	4.3
402.18369	2.5
410.17401	1.8
416.15875	4.9
418.17609	8.8
420.19437	2.1
422.16974	4.8
424.18936	1.0
433.17795	2.4
434.17343	1.7
436.18793	3.1
442.19781	10.6
444.15482	7.7
446.17242	3.1
450.20255	4.7
452.22488	1.3
462.16739	3.2
464.18130	5.0
476.18213	20.1
477.18777	1.3
478.19931	2.2
494.19193	100.0
495.19440	5.3
496.20743	26.1
496.27994	1.0
497.21445	1.8
557.27936	2.2
583.25562	2.5
585.27094	3.8
601.26660	2.7
603.27838	1.0
611.25018	2.4
615.28198	9.0
617.29950	1.1
629.26007	18.4
633.29120	39.8
634.29437	1.7
643.27710	6.2
661.28589	77.6
662.28912	4.1
881.33813	1.6
890.67871	6.9
908.68811	47.0
909.34424	2.4
909.69189	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.3
67.05499	39.0
69.03421	4.2
69.07067	10.6
69.41963	2.8
69.42369	9.3
71.01926	1.0
71.04975	3.6
71.08633	2.4
73.02911	4.3
79.05487	36.1
81.03406	13.4
81.07045	48.6
83.01344	5.3
83.04967	9.9
83.08604	14.4
85.02893	20.7
85.06538	2.3
91.03947	10.4
91.05471	22.2
92.05817	1.1
93.07032	42.7
95.04959	9.2
95.08598	33.7
96.08897	1.1
97.02866	10.2
97.06534	6.0
97.10151	4.5
99.04420	3.0
105.07011	17.0
107.04960	5.9
107.08576	24.0
109.06512	6.5
109.10134	15.6
111.04456	2.2
111.08077	2.2
117.07003	9.2
119.08566	12.9
121.06526	3.4
121.10126	20.1
123.08057	7.5
123.11674	5.9
125.05952	1.5
125.09613	3.6
127.03893	5.4
129.06984	2.5
131.08522	13.3
133.10141	8.8
135.08080	2.0
135.11676	20.6
136.06198	1.9
137.09586	2.3
143.08528	2.9
145.04955	6.0
145.10101	16.8
147.08051	2.6
147.11650	5.2
149.13245	5.7
153.12715	3.2
155.08493	2.4
157.10103	1.6
159.11668	5.9
161.13268	6.2
163.05986	4.1
163.11168	20.7
163.14792	4.8
169.10110	1.1
173.09613	3.7
173.13206	5.3
175.14871	1.6
180.28453	1.2
181.12253	3.3
187.14755	3.7
189.11203	2.7
189.16229	1.4
191.10645	2.7
193.12250	2.7
201.16441	1.9
209.11642	5.6
211.13268	1.8
227.12723	11.1
243.21123	7.5
259.20551	1.8
261.22122	19.2
267.15939	4.8
268.16312	2.9
271.47556	1.1
283.15372	100.0
299.23648	5.8
313.27374	4.8
314.27710	1.6
315.27805	1.4
317.24689	5.5
333.24316	3.0
335.25775	98.3
336.26151	2.9
433.31094	2.2
451.31915	3.8
465.26627	1.1
469.32990	2.9
506.38736	2.3
507.39609	2.3
525.35468	6.1
543.36774	96.2
544.37146	4.9
561.38025	4.3
610.39075	1.5
623.93695	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03894	1.1
67.05496	33.0
67.05830	1.1
67.06005	0.9
69.03420	2.9
69.07056	7.9
71.04985	2.9
71.09891	0.3
73.02913	2.5
77.03899	0.3
79.05482	26.1
79.64691	0.3
81.03407	29.6
81.07044	34.1
83.04971	7.9
83.08610	13.5
85.02894	18.3
85.06504	1.6
91.03949	4.3
91.05469	22.6
93.07031	27.3
94.07331	0.3
95.04957	14.9
95.08595	23.3
96.04408	0.3
96.08932	0.4
97.02876	5.9
97.06528	3.4
97.10150	2.3
99.04423	0.8
99.08034	0.9
103.05418	0.6
105.04507	0.3
105.07015	16.5
107.04939	2.9
107.08580	14.9
108.82269	0.3
109.06508	3.0
109.10142	9.1
111.04446	1.6
111.07312	0.4
111.08058	6.1
113.06010	1.4
115.05425	1.5
115.73323	0.3
117.06993	3.2
119.04900	0.7
119.08563	15.2
121.06447	0.6
121.10127	14.4
123.08073	2.0
123.11689	3.9
125.09572	1.0
127.03925	1.9
128.06090	0.5
129.05481	0.4
129.06995	5.6
131.08551	10.8
133.06438	1.5
133.09174	0.6
133.10112	8.9
135.08015	0.4
135.11670	7.4
137.09566	1.3
137.13197	0.8
142.07722	1.4
143.08527	0.5
144.06549	0.3
145.04945	2.1
145.10100	4.6
147.08044	1.9
147.11664	9.5
149.09593	3.5
149.13229	3.4
151.11168	0.4
157.08855	0.4
157.10106	7.2
159.11671	3.2
161.13229	2.4
163.05988	2.2
163.11119	0.7
163.14841	1.5
165.12700	1.9
169.10031	0.4
171.11632	0.6
173.09602	0.4
173.13217	2.8
175.11162	7.9
175.14732	0.9
177.12749	0.4
177.16302	0.4
183.11626	0.5
185.13216	0.5
187.14757	1.4
189.11237	0.4
193.12222	25.3
194.12589	0.4
197.13130	0.3
201.16364	0.5
211.13266	34.9
212.13602	0.8
215.18065	0.3
227.12704	1.1
229.04713	0.3
233.22684	0.4
243.21033	2.7
249.14813	0.4
257.19043	0.3
261.22110	9.0
262.22443	0.4
267.15878	10.3
279.23102	0.3
283.15186	0.6
285.16925	41.3
286.17316	0.8
299.23630	0.4
301.22116	0.4
301.25266	1.2
303.23053	0.5
317.24734	2.5
332.75604	0.4
333.24008	0.5
335.25763	69.5
336.26132	2.2
353.27142	0.3
361.45673	0.3
417.31558	0.7
429.21274	0.3
435.32678	1.8
450.30972	0.4
453.33670	1.7
471.35028	0.8
509.36456	0.7
515.37518	0.3
527.37256	11.9
528.37598	0.8
545.38324	100.0
546.38593	4.1
563.39557	0.7
689.42303	0.4
911.84064	0.4
914.33148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	2.4
66.57475	0.4
67.05495	39.6
67.05830	1.4
69.03420	4.8
69.07057	9.2
71.04980	4.2
71.75990	0.7
73.02896	2.6
77.03893	0.9
79.05485	33.4
79.05918	1.1
81.03408	46.1
81.07046	41.3
82.03717	0.5
83.04514	0.7
83.04969	10.5
83.08607	19.3
85.02895	25.9
85.06528	2.5
85.70355	0.5
87.04412	0.7
91.03956	6.6
91.05469	30.6
93.07033	32.5
95.04955	18.9
95.08595	25.6
97.02890	8.6
97.06526	4.2
97.10155	4.7
99.04435	1.0
99.08062	1.2
105.07014	21.7
107.04969	4.5
107.08576	17.1
109.06524	4.4
109.10143	12.3
111.04401	2.2
111.07397	0.6
111.08070	7.9
113.05967	1.9
115.05399	1.2
116.06222	0.5
117.07006	3.8
117.53334	0.6
119.04902	0.6
119.08567	17.8
121.06448	1.6
121.10129	15.0
123.08065	2.4
123.11692	4.2
125.09556	1.7
127.03880	2.6
128.06125	0.7
129.06993	7.9
131.08549	13.1
133.06493	2.6
133.10112	11.9
135.11671	7.9
137.09569	1.9
137.13168	0.8
142.07736	2.4
143.08496	0.8
145.04947	2.7
145.10095	5.2
147.08000	3.0
147.10599	0.8
147.11668	13.4
149.09604	4.3
149.13258	3.6
155.08516	0.9
157.10107	11.2
159.11682	2.9
161.13222	3.3
163.05971	3.8
163.11159	0.6
163.14778	1.8
165.12706	2.0
171.11644	1.6
173.13263	2.7
175.11169	11.0
175.14835	1.0
176.35429	0.5
177.16351	0.5
185.13254	1.1
187.14807	1.4
193.12222	35.6
194.12518	0.6
211.13264	60.4
212.13676	0.8
219.17297	0.6
227.12834	1.1
243.21021	2.4
249.14888	1.0
258.31345	0.5
259.20694	0.6
261.22098	9.9
267.15866	14.3
283.15494	0.7
285.16928	70.1
286.17303	1.8
301.25174	0.8
317.24707	2.2
335.25766	61.5
336.26135	1.9
408.53192	0.5
417.31857	0.7
435.32703	2.9
453.33609	2.5
471.34863	1.2
502.85025	0.5
509.36469	0.8
527.37262	15.1
528.37573	0.5
545.38330	100.0
546.38507	4.9
563.39252	0.7
677.40881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	1.5
67.05493	37.5
69.03377	1.8
69.07059	10.3
71.04984	2.9
71.74740	0.5
71.75171	0.8
73.02861	1.4
79.05483	31.2
81.03398	2.9
81.07043	35.2
83.04960	2.8
83.08602	8.2
85.02903	3.3
85.06485	1.3
91.03912	1.4
91.05466	14.5
93.07029	43.0
94.07356	0.7
95.04959	6.7
95.08591	45.2
97.02876	4.5
97.06512	3.0
97.10114	2.1
99.04432	3.0
99.07966	0.6
103.05430	0.7
105.07014	12.1
107.04938	6.1
107.08579	28.5
109.06467	1.4
109.09424	0.7
109.10136	11.0
111.04377	1.1
111.08002	1.6
113.05975	0.7
117.06294	0.8
117.07000	8.6
119.08572	12.5
119.74294	0.6
121.06485	4.2
121.10126	19.7
123.08002	0.6
123.11697	3.2
125.05910	1.8
130.07767	1.2
130.41150	0.7
131.08557	4.7
133.10123	6.6
135.07991	2.1
135.11673	42.0
136.06122	0.8
137.09564	0.7
137.13199	0.9
139.07518	1.0
143.08472	1.0
145.04950	0.7
145.10100	24.2
147.11702	2.8
149.13255	2.8
159.11629	1.9
161.13171	1.9
163.11156	48.7
163.14803	1.3
164.11475	0.7
173.13197	1.4
181.12212	6.5
194.92233	0.6
209.11757	1.3
227.12746	47.6
228.12846	0.7
243.21040	2.0
261.22064	7.7
261.40491	0.6
267.15784	0.8
272.27411	0.7
283.15363	55.4
284.15637	0.7
313.27365	0.7
314.27509	1.1
317.24594	2.1
335.25751	97.9
336.26035	3.3
376.24673	0.7
434.53839	0.6
462.17679	0.6
527.12335	0.6
541.50372	0.6
543.36743	100.0
544.37122	4.8
561.37982	0.8
571.13654	0.7
593.95001	0.6
624.47571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.51
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.4
67.05499	60.9
69.03421	4.0
69.06685	1.0
69.07059	15.4
69.90199	0.8
71.01321	1.0
71.04974	4.1
71.08622	2.6
72.46009	0.8
73.02907	5.3
76.12035	0.9
79.05021	1.7
79.05486	46.0
81.03413	15.4
81.07049	62.7
83.01336	6.9
83.04501	1.0
83.04976	12.0
83.08614	15.5
85.02899	21.2
85.06521	2.1
85.10180	1.1
91.03951	11.9
91.05473	30.3
93.07034	58.4
95.04960	11.2
95.08598	42.8
97.02885	11.2
97.06524	7.2
97.10165	5.1
99.04430	3.5
99.08073	1.6
105.04507	1.2
105.07011	19.3
107.04980	8.2
107.08582	31.7
109.06504	11.0
109.10153	17.0
111.04415	2.5
111.08081	4.0
117.07001	12.4
119.08562	17.9
121.06506	3.5
121.10130	24.6
123.08066	9.7
123.11689	5.9
125.05970	1.0
125.09607	4.0
127.03894	4.8
129.06964	4.8
130.07759	1.4
131.08557	12.9
133.10138	10.3
135.08026	2.7
135.11679	22.7
137.09602	2.0
137.13200	1.5
139.07516	0.9
143.08496	2.1
145.04945	5.5
145.06381	1.5
145.10117	21.3
147.08052	2.1
147.11674	7.9
147.72018	0.8
149.09644	1.8
149.13232	7.4
151.11125	1.5
153.12720	3.5
155.08534	2.5
157.10143	1.4
159.11678	7.0
161.13287	5.1
163.05981	6.3
163.11159	24.6
163.14809	3.7
171.11769	1.9
171.81863	0.9
173.09561	4.3
173.13243	6.9
175.14793	1.3
177.16333	1.1
181.12253	3.3
183.11624	1.8
185.13333	0.9
187.14780	3.2
189.11205	3.0
191.10670	3.2
193.12244	2.3
201.16351	1.5
209.11694	6.4
211.13196	1.8
227.12747	10.6
227.20177	1.9
233.22679	1.0
241.19516	1.0
243.21106	6.7
259.20685	2.2
261.22107	18.9
267.15894	3.9
268.16202	1.6
269.16635	1.0
271.23593	0.9
281.22400	1.4
283.15378	100.0
284.15894	1.7
285.16925	1.0
299.23734	5.8
303.39722	0.9
313.27390	2.6
314.27930	1.8
317.24734	7.0
333.24088	1.9
335.25775	97.5
336.25992	1.8
433.30942	3.1
451.31821	4.5
469.32986	2.2
487.34344	1.7
506.39056	1.7
507.39413	1.8
514.95178	0.9
515.36957	1.3
525.35663	7.5
543.36774	87.8
544.36890	4.8
561.37872	6.7
636.25922	0.9
912.88623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.51
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.4
67.05499	60.9
69.03421	4.0
69.06685	1.0
69.07059	15.4
69.90199	0.8
71.01321	1.0
71.04974	4.1
71.08622	2.6
72.46009	0.8
73.02907	5.3
76.12035	0.9
79.05021	1.7
79.05486	46.0
81.03413	15.4
81.07049	62.7
83.01336	6.9
83.04501	1.0
83.04976	12.0
83.08614	15.5
85.02899	21.2
85.06521	2.1
85.10180	1.1
91.03951	11.9
91.05473	30.3
93.07034	58.4
95.04960	11.2
95.08598	42.8
97.02885	11.2
97.06524	7.2
97.10165	5.1
99.04430	3.5
99.08073	1.6
105.04507	1.2
105.07011	19.3
107.04980	8.2
107.08582	31.7
109.06504	11.0
109.10153	17.0
111.04415	2.5
111.08081	4.0
117.07001	12.4
119.08562	17.9
121.06506	3.5
121.10130	24.6
123.08066	9.7
123.11689	5.9
125.05970	1.0
125.09607	4.0
127.03894	4.8
129.06964	4.8
130.07759	1.4
131.08557	12.9
133.10138	10.3
135.08026	2.7
135.11679	22.7
137.09602	2.0
137.13200	1.5
139.07516	0.9
143.08496	2.1
145.04945	5.5
145.06381	1.5
145.10117	21.3
147.08052	2.1
147.11674	7.9
147.72018	0.8
149.09644	1.8
149.13232	7.4
151.11125	1.5
153.12720	3.5
155.08534	2.5
157.10143	1.4
159.11678	7.0
161.13287	5.1
163.05981	6.3
163.11159	24.6
163.14809	3.7
171.11769	1.9
171.81863	0.9
173.09561	4.3
173.13243	6.9
175.14793	1.3
177.16333	1.1
181.12253	3.3
183.11624	1.8
185.13333	0.9
187.14780	3.2
189.11205	3.0
191.10670	3.2
193.12244	2.3
201.16351	1.5
209.11694	6.4
211.13196	1.8
227.12747	10.6
227.20177	1.9
233.22679	1.0
241.19516	1.0
243.21106	6.7
259.20685	2.2
261.22107	18.9
267.15894	3.9
268.16202	1.6
269.16635	1.0
271.23593	0.9
281.22400	1.4
283.15378	100.0
284.15894	1.7
285.16925	1.0
299.23734	5.8
303.39722	0.9
313.27390	2.6
314.27930	1.8
317.24734	7.0
333.24088	1.9
335.25775	97.5
336.25992	1.8
433.30942	3.1
451.31821	4.5
469.32986	2.2
487.34344	1.7
506.39056	1.7
507.39413	1.8
514.95178	0.9
515.36957	1.3
525.35663	7.5
543.36774	87.8
544.36890	4.8
561.37872	6.7
636.25922	0.9
912.88623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.463
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.7
67.05492	18.1
69.03412	3.2
69.07051	4.9
70.06593	1.4
70.66946	2.8
71.04970	4.0
73.02898	1.0
74.69865	0.7
78.99261	0.8
79.03123	0.7
79.05479	18.8
81.03403	71.5
81.07043	17.3
83.04961	8.8
83.08604	22.0
84.08124	1.0
85.02893	11.8
85.06524	1.5
86.09657	1.0
91.03925	2.2
91.04909	1.5
91.05466	24.2
93.07025	13.6
95.04950	25.2
95.08595	7.9
97.02872	4.9
97.06505	4.7
97.10158	5.2
105.07012	15.7
107.04931	7.9
107.08574	7.1
109.02789	0.8
109.06495	3.8
109.10154	5.0
111.04421	3.2
111.08057	9.8
115.05431	1.5
117.07016	2.1
119.08556	16.6
121.06498	4.3
121.10123	8.0
123.04340	1.3
123.08026	2.8
125.09624	4.8
127.03928	0.9
129.06973	10.5
131.04915	0.9
131.08534	11.6
133.06467	4.3
133.10109	7.8
135.08037	1.0
135.11674	1.3
137.05908	1.0
137.09583	2.9
141.06975	1.5
142.07764	2.2
143.08510	1.0
145.06468	4.8
145.10060	2.8
147.04362	1.2
147.08026	4.1
147.11664	10.8
149.09625	5.5
153.09084	1.0
155.08597	0.9
157.06471	1.3
157.10109	13.1
159.08110	1.1
159.11667	1.3
161.05943	1.6
163.03908	0.9
163.05931	0.9
163.11168	2.4
165.12701	2.5
165.24509	0.7
169.10135	1.0
171.07967	0.9
171.11610	1.0
173.09666	1.2
173.11673	1.0
175.11162	13.6
185.09500	0.9
187.11168	1.1
189.11176	2.0
189.12752	0.9
193.12213	32.8
195.11710	1.2
197.13168	1.6
199.11134	1.1
201.19998	0.8
211.13240	12.8
213.12758	1.1
217.12103	0.9
223.13197	1.0
227.12514	1.0
229.14297	1.6
233.15289	1.3
237.12666	1.1
249.14877	1.8
255.13824	3.0
267.15872	100.0
268.16235	3.2
271.17279	0.8
273.14859	5.1
283.15314	2.1
285.16986	11.9
309.16791	1.2
339.22845	0.8
341.21060	2.3
349.21469	3.4
357.24231	1.0
367.22617	7.9
385.23651	10.8
403.24780	2.4
405.24051	1.4
419.06735	0.8
433.25806	16.8
441.26419	7.5
459.27365	75.3
460.27676	2.9
477.28403	41.6
478.28433	1.2
501.28378	1.8
519.29456	2.4
527.28461	1.2
603.31287	2.3
621.32312	1.1
672.94745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.541
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38471	0.6
65.03927	0.8
67.05494	14.7
69.03072	0.6
69.03396	3.3
69.07059	7.5
70.42431	2.8
71.04977	3.2
71.08621	16.8
73.02901	1.7
79.04749	0.6
79.05482	10.8
81.03410	37.5
81.07043	20.2
81.07526	0.8
83.04967	8.9
83.08610	21.0
85.02893	26.1
85.06519	1.5
85.10172	9.4
87.04446	1.6
89.06018	0.9
91.03944	5.8
91.05465	15.7
93.07029	8.9
95.04383	1.3
95.04956	15.8
95.08586	15.9
97.02873	7.2
97.06529	2.5
97.10158	5.3
99.04444	0.7
99.08069	0.9
105.07021	13.3
107.04918	3.9
107.08582	4.5
109.06495	2.7
109.10145	8.0
111.04431	1.5
111.08057	6.0
113.05987	1.7
117.07041	1.2
119.08574	10.5
121.06464	1.4
121.10152	5.0
123.08043	1.5
123.11683	3.2
125.09626	0.8
127.03888	2.6
129.06989	5.5
131.08565	7.0
133.06502	1.9
133.10117	7.0
137.09636	0.8
137.13242	0.7
142.07727	1.7
145.04955	2.2
145.10120	1.4
147.08044	2.1
147.11665	10.2
149.09573	4.4
151.14815	0.8
157.10117	10.2
163.06038	2.0
165.12740	1.7
174.49504	0.7
175.11177	10.5
190.03456	0.7
190.30260	0.7
193.12222	30.1
211.13275	42.2
212.13736	0.9
221.15410	0.7
223.40045	0.6
239.23712	2.0
249.14792	0.7
257.24753	1.2
267.15881	15.3
267.57108	0.6
285.16928	57.2
286.17303	1.1
295.13599	0.6
313.27335	61.6
314.27823	2.1
328.60162	0.7
360.96844	0.6
505.38797	13.6
506.39035	1.1
523.39886	100.0
524.40326	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.3
61.93003	0.8
63.24843	0.9
67.05498	12.3
69.03413	1.5
69.07069	6.9
69.72474	2.7
69.72902	3.5
71.08627	17.2
73.02888	1.8
77.91152	0.8
79.05483	9.3
81.03415	1.0
81.06588	1.5
81.07046	15.0
83.04971	1.6
83.08614	8.7
85.02894	2.4
85.10177	8.5
85.94329	0.9
87.68574	0.8
90.79911	0.7
91.03955	1.9
91.05466	3.8
93.07039	17.4
95.04964	3.5
95.08600	28.9
97.02892	3.0
97.06546	2.4
97.10174	3.6
99.04443	2.3
103.07571	1.0
105.07033	3.2
107.04958	2.6
107.08579	14.4
107.09237	1.5
109.10163	7.0
111.04487	0.9
117.06997	4.5
119.08590	4.5
121.06515	3.4
121.10149	6.9
123.11692	2.0
125.06013	1.7
133.10143	2.0
135.08058	0.8
135.11679	24.4
145.10120	14.4
163.11179	32.1
181.12173	4.9
222.11052	0.9
227.12766	32.9
239.23763	1.5
257.24664	1.7
283.15405	40.0
313.27353	96.7
314.27698	2.4
324.75449	0.9
521.38361	100.0
522.38416	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.9
67.05499	16.4
69.03424	2.6
69.07059	7.9
70.38271	1.9
71.04991	2.3
71.08625	19.4
72.08129	1.0
73.02904	2.6
73.06500	0.5
79.05483	10.9
81.03410	28.7
81.07048	21.3
83.04971	7.4
83.08610	15.4
85.02897	21.3
85.03376	0.5
85.06483	1.2
85.10178	12.1
87.04452	0.7
89.05985	0.9
91.03429	0.5
91.03945	6.4
91.05473	16.2
93.06503	0.6
93.07034	8.2
95.04961	12.3
95.08597	16.1
96.44294	0.5
97.02332	0.4
97.02882	5.7
97.06480	1.8
97.09637	0.4
97.10144	4.7
98.21383	0.6
99.04441	0.8
99.08051	0.4
99.11643	0.6
100.10727	0.5
100.11241	4.6
101.11539	1.7
105.06329	0.6
105.07020	8.9
107.04936	3.5
107.08578	3.1
109.06491	2.9
109.10149	8.0
111.04395	0.8
111.08070	4.9
111.11626	0.5
113.05975	1.0
115.05420	0.7
117.07009	0.6
117.09116	0.4
119.08576	8.7
121.06458	1.2
121.10114	4.6
123.08002	1.2
123.11696	3.0
125.09625	0.8
127.03857	1.9
128.10689	1.2
129.06987	6.1
131.08539	5.1
133.06430	1.8
133.10121	6.4
135.08003	0.5
135.11641	0.9
137.09589	0.9
137.13217	1.2
142.07729	1.4
145.04964	2.0
145.10109	1.2
147.07973	1.8
147.11650	6.3
149.09589	2.8
156.10072	0.5
157.10110	6.6
163.05978	1.8
163.11250	0.5
165.12698	1.9
175.11157	6.6
193.12224	20.9
194.12547	0.7
211.13269	25.0
212.13634	0.6
239.23691	1.9
253.49677	0.4
257.24762	1.7
267.15887	12.7
268.16461	0.7
285.16931	35.4
286.17206	1.3
313.27332	70.1
314.27689	1.3
394.29419	0.5
409.40787	0.5
456.41129	0.4
456.49164	0.5
505.38800	15.9
506.39081	0.8
523.39899	100.0
524.40149	4.8
591.67474	0.5
612.23218	0.5
667.44110	0.8
725.04321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	7.1
67.05499	13.9
69.03398	1.5
69.07062	6.1
71.04983	2.3
71.08622	18.2
71.75327	1.3
71.75730	1.2
73.02904	2.8
76.86631	0.9
79.05479	12.6
81.03401	4.4
81.07044	17.7
83.01327	3.8
83.04965	5.4
83.08600	11.3
85.02900	10.5
85.06524	0.9
85.10172	11.5
91.03419	0.8
91.03941	6.1
91.05460	8.3
93.07029	16.9
95.04952	2.7
95.08595	19.1
97.02887	6.4
97.06512	2.5
97.10155	3.7
99.04450	2.1
105.07020	5.5
107.04936	4.1
107.08570	9.1
109.06551	2.3
109.10142	7.2
111.04417	1.8
111.08080	1.1
111.11716	1.1
115.03857	1.0
117.06992	3.5
119.08587	6.6
121.06479	1.7
121.10152	4.7
123.08031	3.9
123.11683	2.8
127.03895	2.0
128.26109	1.0
129.06946	1.2
130.07692	1.2
131.08510	1.3
133.10144	2.2
135.07991	2.3
135.11668	14.9
143.08574	1.1
145.04948	1.9
145.10132	10.1
150.74301	0.9
153.12694	1.1
163.05980	3.4
163.11169	21.3
173.09581	1.5
181.12257	4.4
191.10692	1.5
203.28552	1.1
209.11754	3.1
227.12732	14.4
239.23682	1.3
283.15363	84.7
284.15759	1.1
313.27316	90.5
314.27600	2.0
342.54510	1.1
440.53665	1.0
521.38312	100.0
522.38544	2.8
576.27191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
71.73785	2.2
94.93004	2.9
112.89595	13.3
114.89317	7.6
116.89102	1.3
131.01884	4.7
131.51950	3.6
132.01807	2.1
136.93983	1.3
137.01901	3.2
137.51942	1.3
143.01900	3.1
143.51886	1.4
144.01753	2.7
168.97313	1.3
170.95526	1.8
173.02933	5.2
173.53055	1.9
174.03082	1.2
174.97682	3.2
180.97475	2.8
192.98796	2.5
194.03406	1.5
194.95435	2.5
200.99130	2.0
201.77505	1.3
203.04042	3.6
203.54053	1.3
204.03902	1.6
212.85210	3.8
212.94643	3.4
212.96510	10.1
219.00217	1.6
226.86655	2.9
228.98668	2.1
230.95740	3.1
230.97806	2.5
231.00215	2.2
232.90019	2.0
236.96503	2.9
244.98164	2.0
252.99579	1.7
254.97563	100.0
255.97641	4.6
262.99252	1.2
266.97528	29.2
270.99860	1.6
272.97733	3.5
278.97366	1.6
283.00360	2.2
284.06570	2.8
284.56549	3.4
284.98550	13.2
285.06525	2.1
290.98853	7.8
296.98535	2.0
300.15222	1.3
302.98727	3.0
308.99213	1.5
314.00101	1.4
314.99603	36.1
315.99893	1.5
326.98712	1.9
333.27997	1.4
338.99570	1.4
344.85535	1.3
344.99283	3.2
350.89355	2.0
357.00641	14.2
365.09183	2.4
365.59302	6.4
366.09232	2.7
375.01669	36.6
376.02036	3.1
380.90421	2.0
393.01746	4.2
396.92120	1.4
398.91769	2.8
403.04932	2.0
417.02148	5.4
429.02130	2.5
434.97763	1.5
438.93057	1.5
440.92694	5.1
447.03387	4.6
500.94693	2.8
523.08209	1.4
537.06763	32.1
538.07129	2.2
543.13025	1.4
555.06995	5.5
587.60663	1.4
759.03772	1.4
767.86212	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.494
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	12.2
65.03935	1.7
67.05134	1.7
67.05496	36.0
69.03423	4.2
69.07056	8.5
70.10368	3.9
71.04978	3.1
73.02914	3.8
79.05482	40.0
81.02927	1.7
81.03405	36.9
81.07046	39.0
83.04971	8.0
83.08607	15.1
85.02378	1.3
85.02893	26.8
85.06512	1.8
85.64140	0.7
86.09695	1.0
91.03951	9.4
91.05467	32.3
92.05783	1.1
93.07032	40.9
95.04383	1.5
95.04956	19.4
95.08591	23.9
97.02872	9.6
97.06497	3.3
97.10162	2.5
98.20764	0.9
99.04438	0.8
99.08082	2.3
105.04506	1.0
105.07014	21.3
107.04966	3.8
107.08581	15.1
109.02873	1.0
109.06506	3.6
109.10140	9.1
111.04398	0.9
111.08064	6.2
113.06012	1.3
115.05434	1.2
117.07008	5.5
119.08566	15.8
121.06491	1.2
121.10123	23.1
123.08078	3.0
123.11666	4.1
125.09626	1.8
127.03903	3.3
129.06989	7.7
131.08546	12.5
133.06462	2.4
133.10112	12.9
135.08037	1.8
135.11673	10.8
137.09581	2.3
142.07802	1.9
143.08493	1.1
145.04955	3.0
145.10115	6.7
147.08023	1.7
147.11650	11.1
149.09613	5.6
149.13231	4.8
151.11134	0.9
157.10085	7.9
159.11700	4.9
161.13251	1.1
163.06032	2.6
163.11182	1.5
165.12752	2.4
171.11633	0.8
173.13257	2.6
175.11188	7.1
177.12860	0.7
178.12982	0.7
178.73228	0.7
184.07355	3.1
189.01843	0.8
189.11156	0.8
189.12686	0.8
193.12216	25.2
205.19498	0.9
211.13268	35.4
212.13548	0.9
215.17918	12.0
215.19792	1.2
227.12753	1.4
233.18953	11.1
257.88098	0.7
267.15897	11.2
285.16928	49.4
286.17346	1.3
289.21570	1.0
292.05090	0.8
307.22635	66.5
308.23090	2.0
407.29385	1.8
417.68103	0.8
425.30499	1.7
440.72141	0.8
469.47568	0.9
499.34158	10.3
517.35193	100.0
518.35767	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55972	2.4
65.03922	5.1
67.05134	4.6
67.05496	84.1
69.03407	6.8
69.07064	23.4
71.04977	6.8
79.05480	67.0
81.03405	100.0
81.07042	64.8
83.04960	10.9
83.08603	6.8
91.05468	94.9
93.07030	87.2
95.04958	21.5
95.08595	55.8
97.02885	3.2
97.06522	6.8
97.10173	3.8
99.08115	2.8
103.05463	5.1
104.07098	3.1
105.07014	32.8
107.04945	6.1
107.08574	20.4
109.06486	6.6
109.10152	21.9
111.08071	3.3
115.05454	2.9
117.03388	4.4
117.07034	15.6
119.04939	3.1
119.08565	54.4
120.40762	2.3
121.06506	17.1
121.10139	26.5
123.04417	6.6
123.08066	13.2
123.11697	6.6
128.06230	2.3
129.06982	9.5
131.04947	6.6
131.08551	15.5
133.02834	5.4
133.10103	11.5
135.04413	8.0
135.07979	3.3
135.11647	15.3
137.09598	29.1
139.11137	2.7
143.04863	2.6
143.08498	3.9
145.02821	5.1
145.06500	4.4
145.10120	7.9
147.04378	9.6
147.08029	15.7
147.11661	8.7
148.08823	5.5
149.05988	4.3
149.09595	6.9
149.13287	5.5
157.06509	3.5
157.10056	5.0
159.04398	21.0
159.11700	6.5
161.02357	21.6
161.05989	6.5
161.13185	6.1
163.03882	86.8
163.14752	3.6
165.05499	14.9
165.06764	2.7
165.09108	28.9
167.08586	3.4
171.04529	2.5
173.02330	60.5
173.05949	9.4
173.13286	3.7
175.03903	7.9
175.14757	3.5
183.04478	2.5
183.08112	5.4
183.10144	7.8
185.05948	4.4
185.13214	3.2
187.03873	36.3
187.14705	2.6
189.05437	12.2
191.03455	2.9
193.10030	3.1
195.08136	2.4
197.05910	3.3
199.03871	36.1
199.07681	6.1
201.05486	10.0
201.09172	3.0
207.11758	2.5
211.07568	6.7
213.05473	10.7
213.09042	2.6
215.03319	2.5
215.10652	3.2
217.04758	2.9
221.09644	3.4
223.07530	4.0
225.05382	5.0
225.09029	5.8
227.07085	2.9
227.10663	3.7
229.04907	8.5
229.08614	2.5
237.09097	7.9
239.06914	3.1
239.10672	19.7
241.08455	2.5
241.19373	4.3
243.20999	5.0
255.10155	9.0
259.20612	10.7
261.22000	13.0
265.08624	6.9
277.21542	2.7
281.11591	6.9
283.09616	28.4
283.12778	4.4
291.10165	4.7
309.11203	25.2
313.27640	3.1
327.12314	32.2
329.13727	15.2
333.24216	4.9
335.25839	35.5
345.13297	54.0
347.14838	14.6
401.15906	98.6
402.16556	3.7
403.17294	6.2
429.19202	3.8
569.32355	6.8
587.33350	12.7
593.21802	4.0
596.63586	3.1
603.39404	2.5
605.34399	16.7
627.46466	3.9
637.36835	4.3
651.38342	11.9
661.37335	41.5
679.38354	55.6
853.42767	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.6
67.05784	0.4
69.03409	1.4
69.07054	0.7
70.06561	1.0
71.04962	0.4
71.74506	0.6
79.05474	3.8
80.05019	1.9
81.03403	2.2
81.05775	1.5
81.07024	0.5
82.06548	1.7
84.08118	0.8
85.02876	2.5
86.09692	1.1
87.64217	0.4
90.17056	0.4
91.05473	5.8
93.05792	0.9
93.07025	9.4
94.06556	10.4
95.04934	2.6
95.06768	0.5
95.07337	10.1
95.08574	1.3
96.08115	19.5
97.02878	1.0
97.06513	3.2
103.05451	2.8
105.04463	0.5
105.05738	0.7
105.07007	1.3
106.06541	1.8
107.07315	3.0
107.08569	0.5
108.08103	13.5
109.08860	1.4
110.09662	33.5
118.06499	1.3
119.07282	0.5
119.08607	0.6
120.08084	41.3
121.06467	1.2
121.08923	2.8
121.10095	0.4
122.06031	3.0
122.09650	6.8
123.06770	1.9
123.36572	0.4
124.07566	1.3
125.65461	0.4
129.07001	0.6
131.07336	0.6
132.08047	0.6
133.08972	0.5
133.10088	0.5
134.09645	1.1
136.07559	12.0
137.08429	0.5
138.09117	100.0
139.09479	1.8
144.08040	1.0
145.08786	0.7
146.09642	2.3
148.07564	4.3
148.11145	1.1
150.09129	4.9
154.00499	0.4
166.08612	24.7
167.06908	0.5
171.09126	0.6
172.11238	0.8
174.09117	2.9
176.10684	0.5
181.04884	0.5
184.07533	0.4
185.07007	0.5
186.09171	0.7
188.10641	0.9
189.06641	0.5
190.12170	0.4
191.04469	0.5
191.07039	0.4
199.04984	0.6
199.08650	1.3
200.10733	0.9
201.06525	0.5
202.08638	0.6
202.12236	1.7
204.13831	0.4
211.08603	0.7
212.77257	0.4
213.06670	0.8
213.10223	0.6
214.08731	0.6
214.12109	1.1
215.08167	1.8
216.10237	0.5
217.06201	0.4
220.09776	0.6
223.08673	0.9
225.10092	0.8
227.08067	6.9
228.08788	0.6
229.06090	1.5
230.11804	0.4
231.07529	0.5
232.09642	0.6
237.06708	0.5
239.08179	1.4
241.06102	2.6
241.09697	1.7
241.13297	0.6
242.06807	1.2
242.11882	3.4
243.07600	3.1
251.08156	2.4
252.08980	0.6
253.06099	0.7
253.09657	1.7
255.07623	6.2
255.11230	1.4
259.07135	1.0
265.06049	2.6
265.09671	1.2
267.07587	3.0
268.08398	1.2
269.09167	5.5
269.12262	0.6
271.07092	1.8
271.10852	0.5
273.08545	1.0
275.06769	0.9
275.10098	1.0
279.07562	3.7
281.09125	2.3
283.07169	4.5
283.10745	2.1
284.07819	0.7
285.08926	0.5
285.12314	0.9
287.10309	0.6
293.09125	1.4
295.07080	0.9
296.07919	0.7
297.08667	4.3
298.09399	0.5
301.08176	2.1
302.08994	1.6
303.09515	0.9
309.08707	1.5
310.09222	0.6
311.10199	2.8
313.08234	1.0
315.09680	8.4
316.10605	1.3
318.12354	0.6
323.06628	1.2
323.10242	0.8
325.11682	0.6
327.09570	0.8
329.11285	4.0
341.11517	0.8
343.13211	1.5
355.09518	0.6
360.13370	1.1
361.14746	0.6
371.12952	1.4
373.10327	0.6
379.15329	0.6
386.15213	3.0
388.12732	1.4
388.16699	1.6
389.13495	0.8
392.16095	0.5
396.13461	1.0
398.10886	0.7
398.15387	0.6
399.12457	1.2
403.15530	0.5
404.16025	1.5
405.16995	0.4
406.13989	1.2
412.13153	0.9
414.14474	6.5
415.14746	0.6
416.16037	0.6
424.13263	0.4
427.11420	0.6
432.15485	3.2
438.16370	4.7
440.12717	0.6
441.13217	0.4
442.13705	3.0
444.15204	0.6
446.17056	1.5
448.18546	2.5
456.17578	1.5
464.18085	2.7
466.19687	14.1
474.16650	1.9
490.15967	2.4
491.16919	0.7
492.17621	29.1
493.18097	0.9
508.17160	0.7
509.17786	1.1
510.18661	40.2
511.18674	2.0
569.23804	0.9
585.27106	6.1
586.27411	0.6
587.24506	1.0
593.24030	0.6
603.24805	0.8
611.24939	4.5
612.24774	0.8
613.26440	2.9
615.24109	0.9
629.16656	0.7
629.26099	6.4
631.26923	0.8
639.24414	3.4
647.26764	1.7
657.25537	7.3
661.28857	0.7
675.26471	29.8
676.26917	2.2
689.28326	3.2
707.29053	17.0
708.29028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	0.8
63.50065	0.9
67.05489	4.9
69.03415	2.1
69.07042	1.1
69.12270	0.7
69.94675	5.4
70.06565	1.3
70.58365	0.7
71.05006	1.0
78.45198	0.9
79.05497	5.2
80.70710	0.8
81.03419	7.0
81.07042	2.7
83.04962	1.8
83.08605	1.2
85.02891	4.3
91.05461	6.4
93.07044	5.6
94.06562	5.8
95.04947	3.3
95.07341	2.2
95.08585	0.9
96.08123	3.6
96.26349	0.8
97.02872	2.4
97.06501	2.3
98.01102	0.9
98.20628	1.1
102.36722	0.9
103.98282	0.8
105.07016	1.6
107.04885	1.1
107.08595	0.9
108.08111	8.1
109.10142	0.9
110.09667	5.6
118.06487	0.9
119.08577	1.6
120.08093	12.6
121.08866	1.4
122.06012	6.4
122.09646	8.4
129.06956	1.5
131.07289	3.2
131.08498	1.1
132.08107	1.7
133.10165	1.1
134.06007	1.8
134.09625	3.2
136.07565	15.5
138.09126	19.5
143.07237	1.0
143.08510	0.8
144.08073	1.1
145.92490	0.8
146.06021	0.9
146.09653	4.8
148.07544	2.9
148.11206	1.2
150.09131	3.0
152.06992	1.4
152.10695	5.8
158.09642	2.3
160.07568	1.2
162.05461	1.0
162.09126	2.5
163.03897	1.6
164.07076	2.1
166.08609	4.3
170.29797	0.9
171.10422	1.2
172.11194	1.4
174.09132	9.6
176.10638	1.9
182.09729	0.8
184.11168	1.1
186.09119	1.7
188.10785	1.6
193.12204	2.1
197.10783	1.2
198.09222	2.0
200.10651	4.4
202.08780	1.7
202.12317	6.9
203.08160	1.8
204.10123	0.9
211.13333	1.6
212.10782	2.0
213.06638	2.4
213.10156	1.1
214.08786	1.3
214.12289	2.5
215.08157	2.4
215.11603	0.9
216.10236	0.9
216.13828	1.9
217.09648	0.8
218.11678	1.1
220.09630	2.9
221.05493	1.7
222.11166	1.1
223.08638	2.1
225.06516	0.9
225.10159	1.5
226.08650	1.2
227.08200	2.8
227.11815	2.3
228.10298	2.6
229.09764	1.1
230.11717	1.9
232.09645	1.7
234.07649	1.6
236.09203	3.3
237.10233	1.9
239.08150	1.4
239.11771	1.1
240.10207	1.3
241.06088	1.4
241.09714	2.6
242.11815	7.2
243.11266	2.7
250.07141	1.5
251.08041	1.9
253.09770	2.6
255.07562	2.2
255.11226	3.0
256.11932	1.5
257.09241	1.3
258.13696	1.1
259.07120	2.2
260.12811	1.4
261.08820	1.3
267.07611	1.6
267.11111	1.8
267.15884	2.3
269.09286	2.2
269.12720	1.9
271.07361	1.7
279.07581	1.8
281.09256	1.4
283.07013	2.0
283.10764	3.8
285.08826	1.6
285.12326	1.1
287.10287	3.3
288.12201	2.0
293.09229	1.1
294.12512	1.1
297.08578	1.7
315.09735	5.9
316.10718	1.2
320.10303	1.0
320.13928	1.5
329.07642	3.0
329.11362	1.8
333.10730	1.5
334.15564	1.3
341.11163	1.1
343.09152	1.4
344.13898	1.7
346.15631	1.3
348.13260	2.1
348.17194	1.4
350.14917	1.0
355.09332	1.1
357.10883	3.1
358.15369	1.4
359.17123	1.0
360.13412	2.0
360.17493	1.2
372.17377	1.7
373.14645	1.1
374.14810	2.0
376.16599	1.7
385.10080	3.1
388.16705	1.4
400.16769	1.3
402.18442	1.6
403.11328	3.0
404.19821	2.7
414.14224	1.7
418.18011	1.2
432.19525	1.2
434.17175	1.4
436.14941	1.1
438.16449	1.5
446.16885	2.5
448.18625	2.4
449.19647	1.4
456.17578	1.7
459.27475	1.3
462.16464	1.5
466.19150	1.3
476.18155	2.4
477.18893	3.3
477.28860	1.3
480.17651	3.3
492.17386	2.8
503.17105	0.9
506.15277	5.5
508.20706	2.5
509.28009	1.2
510.18610	10.2
518.19141	1.1
522.18860	1.1
524.16541	2.7
536.20544	5.7
539.22974	1.7
551.22736	1.0
552.23468	2.5
554.21271	25.9
555.21759	1.2
580.23187	1.4
583.24310	1.4
585.22797	1.2
611.25378	4.1
613.26501	4.2
629.25848	2.1
631.27673	11.2
639.24457	17.5
640.24457	1.4
653.21930	1.1
657.25507	65.7
658.25549	3.9
661.28210	1.5
675.26495	100.0
676.26819	4.9
689.28009	1.2
707.17688	1.3
707.29193	21.4
708.28827	1.2
801.29260	1.8
837.31329	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	8.7
65.03932	1.8
67.05495	26.6
69.03422	5.9
69.07056	7.1
70.06583	0.5
71.01347	0.8
71.04986	6.1
71.74586	0.9
73.02908	3.6
73.06553	0.7
79.05482	27.3
80.14096	0.4
81.03405	85.6
81.07042	31.8
82.03730	0.7
82.07387	0.6
83.04966	18.3
83.05470	1.0
83.08606	31.3
85.02892	40.9
85.06512	2.5
86.09680	0.6
87.04447	1.0
91.03954	6.8
91.05466	41.5
91.42085	0.5
92.05801	0.7
93.07029	20.8
95.04951	37.3
95.07987	0.7
95.08592	13.7
97.02871	10.1
97.06509	5.5
97.10155	5.3
99.04433	1.7
99.08067	1.8
101.02309	0.4
103.03917	0.4
105.04520	0.5
105.07014	26.4
106.07315	0.4
107.04947	9.4
107.08577	8.6
107.09229	0.8
109.02843	0.6
109.06498	6.9
109.10139	2.5
111.04401	3.0
111.08065	12.1
112.34542	0.5
113.05997	3.3
115.03867	0.5
115.05439	2.3
117.06983	2.9
119.04914	1.2
119.08564	24.4
121.06490	2.6
121.10124	11.3
123.08027	3.3
123.11663	2.2
125.06019	0.5
125.09617	2.8
127.03891	3.0
127.07517	0.7
128.06213	1.3
129.05495	0.8
129.06982	15.4
131.08545	15.9
133.06490	4.2
133.10106	15.0
135.08047	1.1
135.11636	0.9
137.05936	0.6
137.09555	2.7
142.07750	4.1
145.04918	2.3
145.06490	1.2
145.10023	2.4
147.08040	5.1
147.11665	21.1
147.12848	1.1
149.09595	7.8
151.11217	0.7
151.14059	0.5
155.08511	0.5
157.10104	21.0
163.06013	2.3
163.11209	1.3
165.12743	3.8
175.09924	0.4
175.11157	21.5
193.12213	61.7
194.12616	1.0
211.13261	100.0
212.13657	2.2
227.12781	0.7
229.14217	0.6
237.12537	0.5
249.14801	1.8
267.15872	47.8
268.16208	0.6
273.14752	1.1
277.92682	0.4
285.16919	92.1
286.17154	2.1
347.23868	0.6
349.21429	0.7
367.22668	3.6
385.23630	6.0
386.23645	0.5
397.14548	0.6
403.24536	2.2
433.25641	2.9
441.26266	2.1
442.47968	0.5
459.27359	35.8
460.27747	0.9
477.28430	38.7
478.28891	2.2
491.13739	0.5
495.29468	99.5
496.29770	4.1
509.30801	0.5
621.32550	1.0
639.33276	2.0
786.75769	0.6
859.09552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	9.4
67.05499	62.0
69.03434	6.3
69.07066	11.9
71.04970	2.6
77.03928	3.4
79.05485	100.0
81.03413	40.4
81.03854	0.8
81.07049	62.8
83.04974	14.4
83.08610	10.4
85.02898	2.5
85.06548	2.0
89.03893	6.1
91.05473	62.7
93.03381	1.9
93.07037	92.3
95.04961	31.1
95.08598	29.5
97.02872	2.9
97.06522	4.7
97.10151	4.6
98.20655	3.2
99.08089	2.7
103.05480	7.0
105.04505	3.8
105.07020	38.0
105.07714	2.6
107.04939	6.1
107.08585	22.5
109.06508	6.2
109.10155	17.0
111.04437	9.5
111.08083	3.3
115.05442	5.8
117.03372	4.3
117.07003	10.1
119.04948	2.2
119.08572	29.1
121.02843	5.8
121.06518	3.2
121.10136	41.9
123.04390	3.4
123.08064	4.9
123.11702	7.7
125.09610	2.5
128.06245	2.9
129.05511	2.1
129.06992	11.4
130.07704	1.3
131.04919	5.6
131.08565	19.1
132.09337	3.0
133.02864	6.5
133.06480	2.4
133.10117	18.1
135.04404	11.0
135.08044	2.0
135.11687	8.2
137.09631	2.7
138.21083	1.1
139.03897	3.0
139.11134	1.4
141.06941	2.6
143.04897	3.1
143.08511	2.0
145.02832	4.6
145.06470	4.7
145.10065	6.4
147.03413	1.1
147.04396	6.1
147.08023	3.3
147.11679	12.9
149.05904	5.7
149.09595	16.5
149.13242	4.4
151.11192	4.4
153.06987	1.5
155.04919	1.5
155.08499	1.6
157.05112	2.5
157.06473	7.5
157.10112	5.1
159.04422	23.3
159.08064	2.1
159.11696	4.5
161.02319	15.6
161.05994	3.7
163.03888	59.8
163.11026	1.9
165.05486	2.2
165.06998	2.0
165.12770	3.8
169.06509	2.5
171.04466	5.5
171.07957	1.8
171.11734	2.3
173.02332	36.0
173.05942	11.3
173.13249	3.3
175.03923	6.2
175.07552	2.5
175.11177	5.5
176.11902	2.8
177.05464	2.4
179.03448	1.3
181.06479	4.6
183.04407	1.5
183.08017	3.9
184.05229	1.3
185.05962	11.2
187.03891	46.1
187.07497	2.3
188.04195	1.4
189.05435	5.0
189.12616	1.1
191.03407	2.2
193.10437	1.7
193.12225	7.9
195.08109	2.1
197.05966	4.6
199.03905	21.9
199.07541	3.4
201.05443	16.6
201.09036	1.2
203.03366	6.2
205.04956	1.7
205.10042	1.3
207.08092	2.2
211.07475	1.9
211.11310	1.8
211.13297	3.5
213.05475	40.4
213.07509	1.7
213.09131	1.4
214.05841	1.2
215.03470	3.2
215.06999	4.1
215.17932	6.4
217.05064	1.6
223.07379	1.9
223.11240	1.8
225.05350	6.1
225.08978	1.5
227.06915	5.3
229.04932	4.3
230.33299	1.5
233.18982	6.2
239.07176	2.0
239.14322	2.6
241.08644	3.0
249.12590	1.4
253.08611	1.6
265.12241	3.4
267.10550	1.6
267.13745	26.0
267.16296	1.7
283.13257	12.0
283.78256	1.4
285.14789	4.2
291.13803	1.6
293.11731	10.8
307.22659	19.3
309.14789	4.6
311.12723	27.4
311.16431	15.7
313.14291	2.5
327.12210	2.3
327.15836	12.2
329.13785	9.2
337.14331	25.6
345.13281	1.6
355.15366	97.2
356.15662	3.3
357.16953	5.0
373.11691	2.0
373.16440	32.0
374.16757	1.4
406.20370	1.4
411.17960	4.5
429.19073	47.2
430.19412	1.4
447.19949	3.0
449.76392	1.3
454.22739	1.1
483.19727	1.4
492.51016	1.3
511.19833	3.3
529.20648	2.6
539.22272	1.7
549.21130	1.8
567.22345	2.7
569.32391	1.6
585.23383	2.1
587.33820	2.2
603.24121	5.0
605.34381	2.1
637.37378	1.4
661.37347	23.7
662.37738	1.9
679.38422	11.5
835.41760	3.6
853.43445	14.3
854.42712	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	3.7
67.05495	35.0
69.03410	2.5
69.07048	4.8
71.04970	2.3
71.75374	0.6
77.03891	1.5
79.03203	0.6
79.05481	52.8
79.45734	0.6
81.03407	29.5
81.07042	29.4
83.04980	7.6
83.08614	4.9
85.02898	1.4
85.06516	1.3
89.03938	1.5
91.05467	35.3
93.03394	1.3
93.07030	44.6
94.07341	0.9
95.04953	17.6
95.08591	17.1
96.08923	0.5
97.06522	3.2
97.10151	3.8
99.08044	2.0
103.05446	2.5
105.03391	0.7
105.04504	1.5
105.07014	25.5
107.04922	2.5
107.08578	10.6
109.06522	3.8
109.10140	8.3
111.04400	4.4
111.08070	1.8
115.05392	3.6
117.03394	1.4
117.07002	4.6
119.04947	0.9
119.08558	14.3
121.02853	4.0
121.06486	1.1
121.10126	25.0
123.04410	1.5
123.08042	2.5
123.11700	3.0
125.09634	1.5
128.06190	1.3
129.05495	1.4
129.06981	5.3
131.04913	2.6
131.08546	9.1
132.09337	1.2
133.02841	1.8
133.06459	1.5
133.10110	9.6
135.04372	3.2
135.08028	0.8
135.11667	3.2
137.09590	1.8
139.03883	2.1
141.06970	2.2
142.07687	1.0
143.04916	1.6
143.08528	1.5
145.02800	2.3
145.06448	2.9
145.10088	4.9
147.04398	5.3
147.08009	1.7
147.11659	8.8
149.05988	4.0
149.09601	8.2
149.13272	1.5
150.10292	0.6
151.11128	3.5
153.06952	1.3
154.51785	0.6
155.08530	1.4
157.05199	1.0
157.06459	6.1
157.10080	3.0
159.04393	7.6
159.08076	1.0
159.11679	1.6
161.02322	6.6
161.05957	2.2
161.09508	0.6
161.13284	0.7
163.03879	32.6
163.07498	1.3
163.11253	0.8
164.04237	0.7
165.05443	1.1
165.06961	1.3
165.09134	0.7
165.12721	4.2
167.08496	1.4
169.06461	2.4
169.10127	0.6
171.04469	2.6
171.08020	2.5
173.02321	16.8
173.05937	7.9
173.13177	1.3
175.03860	4.0
175.07506	1.3
175.11218	1.6
176.11809	0.9
177.05458	1.8
179.08447	0.9
181.06476	2.7
183.04472	0.8
183.07993	3.3
185.05936	7.0
185.09552	0.7
186.06673	0.7
187.03879	16.8
187.07568	2.5
188.04161	0.7
189.05389	3.4
189.09024	0.9
193.10425	0.7
193.12244	3.1
195.06474	1.0
195.08081	2.0
197.05939	2.2
197.09601	1.6
199.03885	11.7
199.05775	0.7
199.07594	1.9
201.05431	5.9
201.09071	1.4
203.03374	1.3
203.06946	0.6
205.10188	0.6
207.08081	0.6
209.05809	0.7
209.09666	0.7
211.07452	3.1
211.13168	1.4
212.07988	0.6
213.05447	17.8
213.07262	0.7
213.09052	1.2
213.16231	0.8
214.05728	0.8
215.03418	1.1
215.06984	2.0
215.17896	3.6
217.04910	0.9
221.09590	1.9
221.13193	1.2
222.86555	0.5
223.07495	0.9
223.11140	1.6
225.05450	1.7
225.09032	1.5
227.06973	3.6
229.04909	1.2
231.08521	0.6
231.17468	0.8
233.18959	2.9
237.12775	1.1
239.06946	1.3
239.10669	1.2
239.14325	1.7
241.08667	0.7
241.12224	1.2
247.11159	1.5
247.87265	0.6
249.12677	2.7
253.08540	0.7
265.12189	2.2
267.13766	36.6
268.14090	1.0
283.13272	4.8
285.14853	3.5
293.11688	4.7
307.22617	12.5
307.26132	0.6
309.14960	2.9
311.12729	16.5
311.16397	8.3
313.14334	0.6
327.12393	1.1
327.15808	5.9
328.16089	0.6
329.13766	1.2
337.14236	6.9
355.15344	100.0
356.15808	3.5
357.16794	3.4
373.16183	4.4
393.16739	0.8
411.18066	2.6
429.19028	27.6
430.19376	1.1
431.20432	1.2
447.20163	4.7
463.26306	0.6
511.19666	0.8
528.21478	0.7
529.20532	2.0
539.22607	0.6
547.21680	1.4
549.21216	1.0
567.22131	1.5
569.32202	0.9
585.23395	1.1
587.33386	1.7
603.24365	3.1
661.37195	12.7
679.38251	9.9
765.02740	0.6
835.41913	2.7
853.43420	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	6.5
67.05476	1.1
68.05016	0.6
69.03413	0.9
69.07056	0.5
70.06581	25.1
70.34756	2.0
71.08616	3.6
72.08126	0.6
74.06059	0.6
79.05483	0.6
81.03372	0.5
81.07009	0.6
85.10166	1.1
86.09660	0.8
88.07616	29.5
89.15345	0.5
91.05458	0.6
93.03400	0.5
93.07053	0.5
95.04942	1.4
102.09165	22.7
103.57584	0.5
105.03329	0.4
106.07224	0.5
111.04434	0.6
121.02811	2.3
129.03252	0.4
131.04927	0.9
132.02010	0.6
133.02811	0.7
139.03889	4.5
146.11745	0.5
147.04369	1.3
149.02322	100.0
149.03403	6.7
150.02661	2.9
175.03905	3.0
177.05417	2.1
184.07346	0.6
191.07008	1.5
193.04941	47.7
194.05249	1.0
212.23647	1.1
219.06516	3.1
237.07539	11.6
255.08730	0.5
256.26321	78.4
257.26654	2.1
269.04556	0.7
269.07657	0.5
282.52194	0.5
297.04016	1.0
300.28906	1.1
313.07034	1.5
341.06372	3.7
346.65454	0.5
352.52182	0.5
359.07465	2.2
385.09100	7.8
402.42795	0.4
411.10657	0.7
414.38647	0.5
429.11792	2.0
533.10541	1.7
569.21631	0.6
577.13269	8.6
578.13715	1.0
621.15912	16.6
622.16565	0.9
640.34644	1.0
642.97662	0.5
832.38519	2.2
850.39862	93.4
851.40216	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	5.6
65.03919	1.1
67.05499	11.8
69.03409	2.2
69.07066	5.9
71.01342	1.0
71.04985	3.9
71.74512	1.0
73.02904	1.5
79.05489	16.0
81.02934	1.7
81.03410	31.6
81.06549	1.2
81.07043	18.0
83.01327	4.0
83.04973	10.1
83.08159	1.1
83.08619	12.5
85.02895	16.8
85.49992	0.9
86.09664	0.8
91.03947	3.2
91.05476	15.5
93.06490	1.4
93.07036	16.5
95.04958	14.0
95.08611	6.1
97.02898	4.7
97.06516	4.1
97.10168	2.4
99.04428	1.6
99.08064	1.0
103.05466	1.1
105.07026	11.7
107.04968	6.1
107.08591	8.2
109.06537	4.5
109.10149	2.7
111.04435	1.1
111.08092	4.0
113.06017	1.6
116.10756	0.9
117.07008	3.5
119.08569	12.4
121.06493	3.2
121.10118	6.5
123.04367	0.8
123.08054	5.7
125.02370	1.0
125.05951	1.1
125.09601	1.1
127.03908	2.5
129.06996	5.2
131.08551	5.8
133.06488	1.7
133.10091	5.4
135.08081	1.4
135.11720	5.3
137.09612	1.8
142.07784	1.6
143.08577	0.9
145.04961	1.5
145.10098	7.2
147.08046	2.4
147.11678	7.6
149.09610	3.2
153.12743	1.8
157.10118	5.7
163.05998	1.1
163.11148	11.2
165.12810	1.3
169.01315	0.9
173.09564	1.1
175.11145	5.7
181.12181	2.0
191.10629	1.5
193.12198	17.5
209.11726	2.9
211.13275	32.1
214.18056	1.2
227.12807	2.2
233.62344	0.7
259.09891	0.9
265.14413	0.9
267.15909	8.4
268.69403	0.8
283.15372	34.4
284.15842	0.8
285.16953	25.2
323.86932	1.0
344.24350	1.0
383.22189	2.1
457.25937	3.9
475.26883	17.4
476.27515	0.9
477.76920	0.8
493.27930	100.0
494.28223	3.6
793.00330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.399
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04517	2.2
68.05020	1.0
69.89491	2.4
69.89912	3.0
70.02948	1.3
70.06587	100.0
72.08147	47.1
74.06073	11.6
82.06563	0.9
84.04498	11.3
86.02467	0.7
87.05584	3.9
98.06039	1.5
98.09647	1.4
98.20684	1.3
98.84586	1.0
100.07599	1.8
102.05523	10.0
104.02426	0.8
110.02401	3.7
115.08651	1.9
116.07079	4.7
119.08194	0.8
121.51131	0.9
122.44813	1.0
125.07137	2.0
127.04997	1.1
127.08669	0.8
129.06607	1.9
139.08659	5.5
141.10229	6.6
143.08165	1.6
143.11790	45.4
153.06523	1.2
155.08142	2.6
156.02936	2.9
157.09721	10.2
161.09239	1.2
167.08157	13.6
169.09691	4.8
169.13307	1.3
171.07632	3.8
171.11275	25.7
173.05548	4.1
173.09254	2.1
181.06075	1.5
183.07616	1.1
185.09241	6.1
188.10280	1.2
189.08739	1.6
190.08243	5.1
197.09145	1.0
197.12877	1.2
198.08733	1.3
199.07178	2.0
201.08768	2.2
210.08820	0.8
216.09834	3.8
224.10362	1.4
225.08539	1.0
229.11827	0.9
240.13420	1.2
250.11874	3.0
256.09174	1.7
256.12799	1.4
268.12946	6.4
272.16107	1.1
273.11929	2.0
274.10297	1.8
280.12891	1.1
282.14612	1.6
286.13858	2.5
291.12943	4.0
300.15506	9.6
328.14996	1.4
351.16702	1.3
371.19183	7.6
400.18155	3.9
422.16293	1.6
425.20175	0.9
434.85864	1.0
439.19305	2.7
440.17795	0.9
457.20291	2.8
458.18698	4.7
468.24976	1.3
471.22028	1.2
475.21460	70.9
476.21967	1.3
524.25580	0.9
529.22461	2.0
537.26331	1.0
546.25110	14.8
555.27496	1.3
620.30249	1.9
621.34198	1.0
638.30829	2.6
656.32397	2.3
675.28888	1.5
770.35901	1.7
845.39178	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	3.8
61.02919	12.0
65.03936	2.6
67.05497	100.0
68.05820	0.7
69.03416	3.2
69.07065	7.7
70.42588	0.6
71.04982	4.2
71.76084	0.8
73.02914	2.6
79.05488	20.4
81.03412	1.8
81.07046	39.2
83.04977	1.5
83.08605	7.9
85.02892	13.7
85.06519	3.8
86.09694	0.9
91.03948	7.2
91.05466	14.2
93.07036	24.5
95.04960	2.0
95.08598	25.8
97.02886	7.1
97.06506	1.2
97.10165	2.3
99.04440	0.7
99.08033	0.7
105.07021	7.9
107.08581	15.3
109.02896	1.3
109.06509	1.7
109.10146	78.4
111.08083	4.2
117.07027	3.0
119.08565	10.6
121.10130	13.4
123.11684	3.4
125.09627	1.7
127.03937	3.6
129.06929	1.1
131.08571	6.2
133.10120	5.5
135.11679	8.4
137.09581	3.4
137.13255	1.9
143.20058	0.7
145.04976	3.6
145.10120	4.5
147.11673	3.3
149.13229	4.6
155.10638	4.4
159.11646	3.9
161.13264	3.7
163.06004	4.3
163.14818	3.5
163.76448	0.7
173.11751	22.9
173.13239	3.8
173.35602	0.7
175.14761	0.9
177.16440	0.8
184.07349	3.2
187.14816	1.7
189.11186	1.1
203.51323	0.6
227.12814	5.5
229.14326	98.1
230.14671	1.5
243.21042	5.9
261.22116	18.5
275.32184	0.7
317.24811	4.7
335.25763	63.8
336.26010	1.9
379.29800	1.5
397.30911	2.0
415.31934	1.7
433.33026	1.1
471.34390	1.9
489.35739	42.7
490.36035	1.9
507.36926	4.2
566.57617	0.8
633.39441	0.7
862.73828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	3.3
61.02921	12.3
65.03941	2.8
67.05498	100.0
68.05835	0.7
69.03426	2.5
69.07058	8.2
69.89497	2.3
70.07425	0.5
71.04988	3.5
71.08625	0.7
73.02908	3.8
79.05485	21.9
80.05813	0.7
81.03417	1.4
81.07048	39.7
82.07411	0.5
83.04971	1.1
83.08611	7.9
85.02895	12.9
85.03385	1.1
85.06530	2.5
86.09686	1.1
87.04487	0.7
91.03949	8.7
91.05471	16.4
91.06037	1.0
93.06425	0.6
93.07034	27.2
95.04967	2.5
95.08598	30.7
96.04496	0.6
97.02879	6.6
97.06517	1.5
97.10164	2.7
99.04478	1.1
99.08097	0.9
103.03966	0.6
105.07027	9.2
107.08582	16.0
109.02881	0.7
109.06523	1.3
109.10145	76.1
110.10493	1.0
111.08079	3.6
115.03901	0.5
117.07029	3.3
119.08570	12.7
121.10129	11.6
123.08031	1.0
123.11696	4.3
125.00014	1.0
125.09638	1.8
127.03884	2.8
127.11259	0.6
129.07022	0.5
131.08548	6.5
133.10133	6.1
135.11681	10.1
137.09616	3.6
137.13239	1.4
139.11218	0.9
143.08525	0.6
145.04906	3.6
145.10114	5.2
147.11681	4.0
149.09604	0.6
149.13237	5.2
155.10654	4.7
159.11687	4.4
161.13251	3.8
161.14272	0.4
163.06021	3.7
163.14807	2.8
173.11746	21.2
173.13248	3.1
175.14824	1.2
177.16330	1.0
184.07346	2.0
187.14818	2.0
189.11176	1.2
201.16338	0.5
227.12798	4.9
229.14328	90.0
230.14662	1.5
233.22699	0.6
243.21062	5.5
259.20694	0.8
261.22125	20.7
262.22485	0.6
263.23950	0.7
317.24728	3.9
335.25775	71.1
336.26233	2.3
379.29910	0.7
397.31088	1.6
414.64444	0.6
415.31927	1.4
471.34586	1.7
489.35727	68.3
490.36029	3.3
507.36639	5.3
633.39264	0.7
644.75372	0.6
848.47192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.7
65.03932	2.3
67.05499	31.5
69.03419	1.7
69.07060	34.9
69.51729	10.2
71.04977	1.8
73.02891	1.6
73.06573	1.2
76.57205	1.1
79.05486	36.2
81.03417	11.8
81.07050	100.0
83.04959	1.7
83.08604	4.6
85.02905	11.3
85.06523	1.3
86.09686	1.4
91.03922	1.2
91.05469	19.8
93.07033	26.7
95.04937	3.8
95.08595	23.9
97.02888	4.4
97.06529	10.7
97.10168	2.7
99.08073	4.3
103.03981	1.6
105.07018	8.8
107.04950	1.8
107.08581	16.8
109.06519	2.9
109.10156	10.7
111.08088	1.1
115.05440	1.1
115.07568	5.6
117.06995	7.3
119.08571	8.6
119.86536	1.1
121.06525	1.6
121.10133	8.0
123.11665	2.5
125.09619	2.4
127.03957	1.4
127.07518	5.9
129.05453	2.1
131.08560	7.3
133.10100	5.7
133.91544	1.1
134.91640	1.2
135.08063	10.3
135.11673	6.5
137.09561	1.5
139.07542	2.0
139.11127	1.2
143.06995	1.5
145.08556	5.2
145.10109	5.0
147.11668	3.3
149.13240	5.3
153.09093	2.2
159.11691	4.3
161.13203	2.9
163.07530	4.9
173.13251	3.0
175.14873	1.0
181.08597	3.0
183.10124	1.0
184.07362	1.8
187.14864	1.9
199.09604	2.6
201.09351	1.6
201.11205	24.7
239.12819	2.1
243.21040	2.7
259.20609	1.3
261.22107	8.3
268.01163	1.1
273.13275	7.5
317.24554	1.4
335.25766	46.3
336.25995	1.7
371.20593	9.2
461.32571	5.7
515.33533	1.4
533.34625	2.0
551.36224	1.3
631.42188	5.7
829.51007	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99574	12.5
70.06582	14.7
71.73830	5.3
83.08602	44.6
84.04499	17.2
84.08136	5.7
86.99056	12.6
88.48524	3.9
91.05457	4.7
116.01643	47.3
129.06570	7.9
136.07571	6.8
138.74538	4.5
144.01105	34.0
147.21552	4.2
147.91264	4.7
159.08383	28.5
162.02182	100.0
209.89508	4.0
262.11069	46.3
279.13708	52.0
303.00092	4.7
333.14792	17.1
349.70023	5.2
408.18002	68.1
505.14651	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77419	1.2
59.04992	1.5
59.42477	1.2
61.02920	3.1
65.03928	4.8
67.05496	72.5
69.03419	12.3
69.07056	50.5
69.07353	0.8
71.01345	3.5
71.04999	6.7
73.02903	2.1
79.05479	92.1
80.05774	1.4
81.03407	18.1
81.07043	100.0
83.04964	14.3
83.08607	17.9
85.02892	7.5
85.06516	6.1
86.09711	2.3
91.05468	72.3
93.07027	81.7
95.04951	19.2
95.08591	44.7
97.02885	8.8
97.06509	19.5
97.10144	7.2
99.04447	2.8
99.08082	5.9
103.05463	1.9
105.04504	1.5
105.07016	50.4
107.04935	13.3
107.08575	44.5
107.09304	1.9
109.02859	3.0
109.06501	10.8
109.10151	14.6
111.04411	1.3
111.08067	8.6
114.40836	1.3
115.05431	4.5
116.06242	1.8
117.07002	29.7
119.08566	36.6
120.08885	1.6
121.06488	6.8
121.10126	35.5
123.08035	11.0
123.11700	2.8
125.09630	9.2
127.03883	5.1
128.06183	3.9
129.05460	2.5
129.06987	10.9
130.07738	3.9
131.08545	38.2
133.06473	3.1
133.10110	31.1
135.08034	22.4
135.11650	15.9
137.09587	9.3
139.11171	5.4
141.06976	6.1
142.07738	3.1
142.12280	1.2
143.06992	2.9
143.08528	12.9
145.04958	1.3
145.06436	3.1
145.10110	28.3
147.08031	4.8
147.11673	12.1
147.84605	1.6
149.09586	31.3
149.13251	9.7
151.07629	1.6
151.11169	5.9
153.09071	3.2
155.08533	5.7
157.06485	1.6
157.10135	9.0
159.08029	3.3
159.11655	18.2
161.08318	1.2
161.09636	4.2
161.13226	5.2
163.11182	11.8
165.09111	3.3
165.12720	1.4
167.08563	2.0
167.10666	6.8
168.09268	1.6
169.10114	8.8
170.10875	1.6
171.10306	2.3
171.11662	7.4
173.04477	3.1
173.09634	3.7
173.13229	7.7
175.11203	1.8
175.14870	1.3
177.09010	1.4
177.12764	5.7
179.14331	3.5
181.10063	3.2
181.12157	1.4
183.10204	1.8
183.11662	6.8
184.07347	4.1
185.09578	2.0
185.13249	5.5
187.11147	3.2
187.14784	6.1
189.11171	2.3
189.12708	2.4
189.16347	1.4
193.10130	1.6
193.12236	1.5
195.11902	1.7
195.13777	6.0
197.13240	4.0
199.09648	3.4
199.14793	3.2
201.11191	3.1
201.16411	8.3
203.14471	1.3
207.13757	1.6
209.13293	2.5
211.14839	6.0
219.17456	2.1
223.13193	2.2
225.11093	2.0
227.12712	18.1
229.13998	1.8
229.15939	12.8
229.19450	2.2
229.96280	1.7
231.17389	1.9
231.28560	1.5
239.12613	2.2
239.17871	3.7
241.14308	36.0
247.16931	15.1
247.20638	2.0
255.15726	6.4
257.18951	8.2
265.17947	3.8
269.17429	25.9
275.20068	24.8
290.54211	1.3
293.21143	2.3
303.19617	2.0
313.21661	1.5
321.17181	2.1
321.20621	19.7
321.24197	2.5
331.22629	2.5
339.21692	7.0
349.23682	25.3
363.70813	1.3
367.24643	2.9
381.22742	2.3
395.24033	3.2
397.22299	1.6
405.27609	1.9
407.24139	3.1
411.23917	1.8
421.25824	24.1
422.26212	1.7
435.27365	30.8
475.30322	3.3
497.32343	5.7
501.32327	7.8
515.33606	35.4
519.32642	1.8
526.25854	1.6
533.34521	5.9
542.50629	1.6
565.29633	1.6
579.31439	2.0
595.39478	3.9
613.40710	2.8
650.84332	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.2
65.03928	5.2
67.05499	80.8
69.03425	13.0
69.07063	60.6
69.41015	16.0
71.01350	2.8
71.04981	9.2
72.17900	1.3
73.06536	2.4
77.03930	2.5
79.05486	98.7
80.05826	1.7
81.03405	23.4
81.07050	100.0
83.04977	19.1
83.08617	20.1
85.02890	7.9
85.06531	6.4
86.09689	4.4
91.05471	86.1
93.07035	85.9
93.07645	1.7
95.04960	20.0
95.08596	52.0
97.02905	6.6
97.06522	27.4
97.10152	8.9
99.04453	3.0
99.08085	5.2
103.05435	2.1
105.07022	61.3
107.04951	20.1
107.08582	49.8
109.02863	3.2
109.06507	13.9
109.10145	18.7
111.04371	1.6
111.08087	6.6
115.05432	4.2
115.07555	1.6
116.06225	2.0
117.07005	30.5
119.08569	41.5
119.09403	2.8
120.08996	1.5
121.06484	8.0
121.10139	30.7
123.08056	10.3
123.11700	5.3
124.99975	2.6
125.06004	2.4
125.09612	11.2
127.03954	3.8
128.06212	4.3
129.05449	2.3
129.06970	18.2
130.07762	3.8
131.04930	2.3
131.08559	40.8
131.09557	2.1
133.06493	4.1
133.10117	34.4
135.08047	27.0
135.11673	16.0
137.09596	7.3
139.11174	4.7
141.07007	8.7
142.07736	2.3
143.07040	7.2
143.08563	13.2
145.06500	3.1
145.10107	39.8
147.08064	4.2
147.11703	12.7
149.09587	33.8
149.13222	9.0
151.11185	5.1
151.94040	1.4
153.07022	2.2
153.09135	4.9
155.08533	8.0
157.10101	11.3
159.08083	3.3
159.11682	20.1
161.09592	4.2
161.13252	5.9
163.11148	12.1
165.09041	1.8
165.12720	2.0
167.08586	4.1
167.10689	4.2
169.10130	10.3
171.10260	3.3
171.11694	8.1
173.04503	3.5
173.09595	4.1
173.11890	1.6
173.13219	7.8
175.11174	2.7
177.09161	3.3
177.12766	4.3
179.10695	2.1
179.14293	3.0
181.10211	2.4
181.12398	1.5
183.10301	1.6
183.11661	7.8
184.07330	11.8
185.13246	8.3
187.11191	6.6
187.14844	6.3
189.11177	4.3
189.12733	2.8
195.11786	2.5
195.13826	5.0
197.13306	4.6
198.97789	1.5
199.09656	10.6
199.11264	2.9
199.14812	1.8
201.11130	3.5
201.12852	2.5
201.16367	11.9
207.11659	1.9
207.13762	1.6
209.13298	2.0
211.14844	7.9
213.16473	1.7
219.17348	2.3
227.12737	18.2
229.14319	1.9
229.15958	17.1
239.12729	3.5
239.17975	3.6
241.14339	19.8
245.13754	1.9
247.16936	17.8
247.20618	2.1
255.15935	6.0
257.18988	6.1
258.06476	1.6
265.18079	2.0
267.15796	2.1
269.17377	20.7
273.18542	1.5
275.20059	29.3
291.19604	1.5
293.21127	2.8
303.19470	2.3
321.20572	23.6
331.22559	2.0
339.21735	5.2
349.23660	21.1
367.24844	2.6
405.27509	2.9
407.24045	3.2
417.25674	1.9
421.25751	13.8
423.28705	1.6
435.27441	18.5
475.30606	3.8
497.32507	4.4
501.31964	6.9
515.33673	30.5
533.34467	4.9
595.40131	8.6
613.40717	4.6
633.28967	1.5
829.42761	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	78.4
65.03949	2.0
67.05498	44.3
69.03413	11.0
69.07061	7.0
69.86727	10.6
70.83354	1.6
71.04996	5.2
73.02906	27.3
79.05486	37.0
79.07071	1.8
81.03414	6.8
81.07049	44.8
83.04984	2.7
83.08605	5.5
85.02896	100.0
85.06537	6.1
87.04446	2.7
91.01827	1.6
91.03947	79.6
91.05469	21.2
93.05739	1.8
93.07043	45.2
93.07638	2.3
95.04963	8.1
95.08602	30.3
97.02885	44.4
97.06520	4.6
99.04442	6.6
99.08067	7.3
101.13380	1.7
102.17359	1.6
103.03931	2.1
105.07023	16.8
107.08584	28.2
109.02912	3.2
109.06512	2.9
109.10156	19.6
115.03920	3.3
117.07005	7.1
119.08568	17.5
121.10135	33.5
122.10412	1.7
123.08033	2.0
123.11687	13.7
127.03911	30.0
131.08551	22.7
133.10101	16.0
135.08076	2.8
135.11668	34.9
137.13235	4.5
145.04941	45.0
145.10107	15.7
147.11668	11.4
149.09615	2.9
149.13237	24.4
151.11136	2.0
159.11671	17.9
161.13211	4.1
163.06006	79.6
163.11148	2.5
173.13232	12.2
175.14833	3.0
177.12753	2.1
180.13918	1.6
187.14827	3.4
189.16359	3.3
205.19524	6.2
215.17943	58.7
215.20024	2.9
216.18312	1.8
223.97543	1.7
233.18977	81.1
234.19325	4.7
286.41174	1.8
307.22662	7.3
325.11249	2.3
325.23682	41.4
469.28058	1.8
602.95557	2.0
829.26581	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	3.7
59.34591	1.4
60.08124	1.6
61.02908	4.4
64.00703	1.4
65.03918	2.3
67.05499	100.0
69.03384	3.0
69.07058	13.8
70.30710	8.1
71.04983	2.8
73.02905	3.0
79.05485	62.4
81.03418	7.6
81.07045	56.9
83.04951	5.9
83.08613	13.4
85.02894	12.2
85.06522	4.9
86.09704	3.3
87.04475	3.4
91.03907	2.3
91.05469	28.2
93.07036	51.6
94.07398	1.8
95.04960	9.1
95.08592	34.3
97.02890	5.8
97.06509	5.6
97.10160	13.8
99.08086	3.2
102.58162	1.6
103.03881	2.3
103.05428	2.7
104.61692	1.5
105.07016	18.4
107.04951	4.1
107.08578	22.7
109.06502	3.8
109.10149	48.0
111.08055	3.4
112.97025	1.5
117.06999	8.5
119.08569	17.8
121.10113	26.1
123.08089	2.7
123.11690	7.4
125.00011	2.4
125.09600	13.1
129.05457	2.9
129.06967	2.2
131.08560	13.3
133.10133	13.9
135.08046	2.1
135.10744	1.8
135.11685	19.0
137.09590	4.5
143.10690	3.1
145.10110	10.4
147.11655	5.8
149.09541	2.5
149.13223	6.9
151.11208	1.6
153.12691	2.3
155.10623	2.8
159.11691	8.6
161.13298	2.1
163.11151	8.7
173.11711	11.8
173.13235	5.7
181.12172	2.7
184.07329	7.0
191.10648	3.5
191.29347	1.9
193.12227	2.0
195.73190	2.0
199.13292	5.2
209.11690	3.4
215.17935	14.3
217.77420	1.6
227.12813	5.7
229.14322	35.7
233.18954	9.8
267.15839	3.8
280.43964	1.6
283.15430	3.7
301.16455	12.5
307.22647	81.0
399.23746	12.3
449.32452	7.0
461.32614	20.7
491.24255	1.8
515.33649	2.3
533.34656	4.8
551.35547	2.1
606.35181	1.8
629.81104	1.6
631.42041	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	77.7
65.03928	1.8
66.50880	0.7
67.05498	46.8
68.05836	0.7
69.03423	9.5
69.07069	7.3
71.04998	4.5
71.08609	0.8
71.74686	1.1
73.02908	28.2
75.04501	0.9
77.03912	1.0
79.05484	43.0
81.03411	5.8
81.07047	50.8
83.04974	2.8
83.08622	7.1
85.02896	100.0
85.06545	5.1
86.03243	0.8
86.23864	0.9
87.04462	1.7
91.03946	78.9
91.05463	20.8
93.07033	51.3
95.04968	3.7
95.08598	36.5
96.08924	0.7
97.02882	48.9
97.06500	3.9
97.10161	2.6
98.03223	0.8
99.04446	5.8
99.08079	4.5
101.02386	1.6
103.03944	2.1
105.04503	0.9
105.07021	15.1
107.08581	29.5
109.02850	3.8
109.06519	2.5
109.10145	24.7
111.08072	2.9
113.09673	2.8
115.03916	3.8
117.05506	1.5
117.07022	6.9
119.07727	1.2
119.08563	15.1
121.06489	1.0
121.10134	33.3
123.08072	2.1
123.11696	14.6
125.09607	3.4
127.03897	38.9
129.05444	1.5
129.06970	1.2
131.08548	20.1
133.10110	18.5
135.08102	1.6
135.11674	41.1
137.09650	3.6
137.13243	4.9
139.11172	1.9
143.08585	1.2
143.43585	0.8
145.04942	47.0
145.10104	17.9
147.11670	13.8
149.09610	2.4
149.13237	23.2
150.13614	0.8
151.11162	4.1
159.11673	17.6
161.13245	3.5
163.06001	91.2
163.11186	3.5
163.14845	1.1
164.06404	1.1
171.11717	1.4
173.13249	15.1
175.14804	1.6
177.12749	4.2
181.07103	1.2
187.14809	5.1
189.16396	2.7
191.14182	1.1
191.17972	1.9
204.08771	1.2
205.15846	1.7
205.19505	8.3
215.17931	62.7
216.18164	1.4
217.19493	1.0
233.18980	86.3
234.19200	3.5
235.20605	1.0
251.20099	3.0
253.17914	0.8
278.32278	0.7
307.22656	25.4
325.11127	5.0
325.23685	49.9
326.24207	1.7
386.86087	1.0
433.26025	1.3
469.27963	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04977	2.8
61.02917	8.0
64.79506	0.8
67.05493	48.9
69.03416	1.1
69.07041	3.8
70.41583	1.9
70.41980	2.0
71.04988	2.2
71.08617	14.3
73.02893	2.1
78.64403	0.9
79.05475	1.4
81.07047	10.5
83.08613	6.7
85.02888	10.3
85.06516	2.4
85.10163	7.3
91.03944	8.7
91.05453	2.9
93.07037	2.5
95.08585	13.4
97.02857	4.7
97.10159	2.4
107.08543	1.7
109.10136	52.6
111.08074	1.8
117.09158	0.9
119.08566	4.7
121.10027	1.2
123.11677	1.9
124.99962	1.2
127.03880	2.4
137.09573	1.8
137.13187	1.2
145.04933	3.0
155.10670	2.2
159.32716	0.9
163.05972	3.7
173.10382	0.9
173.11737	16.2
176.39696	1.1
184.07292	3.5
219.85864	0.8
229.14317	100.0
257.24536	1.5
290.17688	1.2
313.27319	74.7
314.27618	1.4
467.37247	66.8
468.37253	3.0
620.67706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04980	2.4
60.08145	3.6
61.02917	9.5
61.34052	0.8
65.03934	1.7
66.60868	0.7
67.05500	53.9
69.03424	2.1
69.07063	6.0
71.04981	1.8
71.07359	2.3
71.08630	18.6
73.02908	2.9
73.18908	0.8
79.05486	2.0
81.06604	1.0
81.07052	15.9
83.08609	12.3
85.02894	9.7
85.06540	1.5
85.10175	10.0
86.09695	18.2
89.06020	1.2
91.03957	6.4
91.05474	3.5
93.07027	2.9
95.08598	15.1
97.02884	6.5
97.10168	3.9
98.20727	2.4
98.98453	1.8
99.04462	1.1
99.08067	0.9
102.37009	0.8
104.10735	2.3
107.08565	1.4
109.10146	56.6
110.10473	1.2
111.08070	2.6
111.11694	1.7
119.08581	4.3
123.11671	1.9
124.99142	1.4
125.00000	11.5
127.03915	2.4
137.09578	1.9
145.04890	2.1
155.10669	3.3
163.05962	3.1
173.11736	15.3
184.07329	55.6
229.14331	71.6
230.14746	1.3
239.23668	1.9
248.82033	1.0
257.24777	1.8
278.02966	1.1
313.27338	77.2
314.27542	2.1
467.37305	100.0
468.37625	5.2
808.49182	1.1
826.51208	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04969	2.0
61.02900	2.0
65.03928	4.3
66.64236	1.2
67.05496	73.9
69.03069	2.0
69.03417	16.2
69.07058	78.6
70.06553	1.5
70.15582	1.4
70.79111	4.3
71.01329	2.7
71.04977	6.4
73.02896	1.9
77.03912	2.3
79.05482	100.0
81.03405	20.5
81.07043	91.7
83.04969	17.4
83.08608	18.9
85.02876	5.9
85.06523	4.4
86.09676	3.8
91.05465	84.7
93.03426	1.2
93.07030	91.1
95.04954	21.6
95.08592	48.8
97.02888	17.9
97.06516	23.0
97.10149	13.1
99.04436	2.5
99.08076	5.0
103.03880	1.7
103.05436	2.8
105.06321	2.9
105.07016	48.0
107.04943	22.7
107.08576	42.2
109.06490	11.9
109.10134	22.7
111.08055	5.7
115.05437	3.4
116.06258	2.5
117.06998	26.2
117.75214	1.3
119.04936	1.5
119.08558	51.4
119.09404	2.8
120.05652	1.6
121.06511	9.6
121.10123	54.6
123.08055	14.9
123.11665	4.1
124.44653	1.3
124.99994	2.8
125.06010	3.0
125.09615	14.5
127.03892	3.8
128.06219	2.8
129.05458	3.4
129.06973	18.2
130.07732	2.8
130.83148	1.3
131.04903	1.7
131.08545	45.1
133.06483	7.1
133.07353	1.4
133.10100	35.7
135.08028	20.1
135.11685	8.9
137.09596	8.3
139.11165	4.4
141.06940	6.2
142.07780	3.3
143.06996	9.5
143.08530	14.2
145.06494	2.3
145.10104	25.7
147.08034	17.9
147.11668	9.2
149.09598	33.8
149.13242	6.6
151.07529	6.1
151.11165	8.2
153.09077	4.3
153.45786	1.3
155.08656	2.6
157.10120	14.6
159.08037	3.4
159.11673	16.4
161.08289	1.7
161.09604	7.8
161.13298	6.3
163.07544	1.4
163.11171	6.9
165.09146	6.3
167.08539	1.6
167.10693	4.7
169.10109	5.9
171.07993	1.4
171.10240	2.8
171.11656	8.3
173.04405	1.8
173.09583	3.3
173.13191	7.3
175.07570	2.2
175.11166	4.5
177.09079	5.9
177.12746	6.5
179.10616	1.6
181.10013	2.2
183.11635	3.7
184.07347	12.4
185.09538	2.3
185.13191	4.9
187.11180	4.2
187.14757	2.6
189.11267	6.4
189.12708	2.6
189.16353	6.1
191.10588	1.6
195.11870	2.2
195.13780	6.2
199.09622	9.3
199.11217	1.8
199.14804	11.5
201.11078	1.8
201.12704	2.2
201.16345	6.9
203.14267	1.7
205.12286	2.3
209.13254	1.4
211.14784	3.8
217.15831	11.3
219.17291	1.6
223.13242	15.1
225.11180	3.9
225.27734	1.3
227.12572	14.6
227.14095	2.7
229.15894	8.7
239.12737	5.4
239.17915	1.5
241.14302	23.9
245.15332	15.2
245.18983	2.0
247.16991	9.0
249.14833	3.1
253.14326	8.8
255.15901	5.2
263.16364	7.2
267.15833	2.2
269.17410	21.4
273.18515	15.5
275.20053	10.5
291.19498	96.6
292.19833	2.1
295.15332	1.7
309.20670	1.7
319.19128	2.9
321.20670	13.1
331.22919	1.6
337.20062	30.4
339.21692	2.7
347.22064	5.2
349.23639	11.2
365.23190	42.1
367.24872	1.7
433.25778	1.7
437.25302	2.2
449.24939	1.7
491.29739	3.8
513.32007	6.2
517.31549	20.5
531.33112	93.6
532.33539	3.3
593.38336	2.1
611.39374	21.4
612.40625	1.9
629.40155	4.9
675.37109	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.7
65.03917	5.2
66.97274	1.1
67.05495	73.6
69.03413	10.1
69.07059	36.6
71.01329	1.9
71.04973	7.4
71.75854	1.6
73.02885	1.7
77.03919	1.6
79.05484	75.5
79.48330	1.4
81.03406	15.0
81.07046	100.0
83.04967	16.0
83.08615	8.7
85.02885	4.5
85.06522	6.5
86.09695	3.9
91.05470	71.6
92.05811	1.3
93.06437	2.3
93.07031	61.0
95.04949	23.0
95.08592	65.8
97.02866	4.7
97.06525	16.9
97.10192	2.2
99.04447	1.9
99.08089	3.6
103.05446	2.9
105.07015	58.7
106.85225	1.2
107.04948	17.9
107.08579	40.5
109.02885	1.5
109.06499	13.4
109.10140	33.3
111.04427	2.1
111.08047	5.0
113.05951	1.7
115.05458	2.9
116.06186	2.1
117.06996	20.0
119.08567	26.4
121.06494	11.5
121.10127	19.0
123.04358	2.3
123.08051	35.2
123.11684	6.2
124.99977	2.9
125.09608	4.5
127.03893	2.7
127.07541	2.1
128.06213	3.5
129.05446	2.7
129.06979	10.1
131.04936	1.3
131.08548	28.5
133.06474	8.0
133.10110	51.9
133.54646	1.3
135.08034	21.2
135.11691	9.2
137.08669	1.3
137.09552	7.1
138.05992	1.3
139.07542	3.1
139.11110	1.3
141.06998	3.8
141.09077	3.9
142.07755	2.6
143.07001	3.9
143.08565	8.6
145.04976	1.4
145.06445	1.4
145.10103	18.1
147.08022	6.0
147.11671	5.7
149.09607	26.2
149.13261	3.2
151.07530	11.5
151.11163	24.1
153.09010	2.2
155.08517	4.4
156.09355	1.5
157.10136	8.8
159.08047	4.1
159.11664	10.9
161.09612	7.7
161.13286	3.1
163.07474	1.5
163.11127	6.2
165.09096	3.1
167.10689	2.6
169.10139	4.2
169.12224	2.9
171.11716	4.2
173.09590	2.8
173.13148	2.0
175.11235	4.0
177.09113	4.9
177.12668	1.8
179.10655	2.8
183.10167	1.7
183.11685	2.9
184.07332	11.4
185.13208	2.8
187.11232	3.0
187.14810	2.5
189.12727	2.5
195.13780	2.3
197.11725	1.7
197.13307	1.6
199.09641	3.8
199.14830	3.3
201.16374	5.9
203.14340	1.6
205.12201	1.8
211.14850	3.6
215.12677	3.0
217.15808	3.0
219.17366	1.7
223.09546	2.1
223.13313	2.1
225.11182	41.1
227.12576	2.2
227.14473	3.0
229.15857	9.7
235.16933	1.9
241.14275	7.6
245.15343	7.9
245.18933	2.9
247.16974	11.0
253.14319	55.0
255.15701	1.9
257.19016	2.5
263.16336	4.8
265.18057	2.6
269.17358	9.3
271.15375	3.0
273.18527	12.2
275.19992	7.7
291.19455	12.8
319.19022	2.8
321.20566	14.3
337.20071	9.8
339.21762	2.9
347.22195	5.4
349.23569	4.5
365.23221	15.8
419.24142	3.7
423.23679	3.8
435.23761	1.7
437.25616	8.4
499.30423	2.2
513.31903	3.5
517.31592	14.4
518.31787	1.5
531.25806	2.0
531.33173	26.0
611.39471	10.7
629.40704	2.7
789.29053	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	1.3
63.02347	1.1
65.03912	4.7
66.18259	1.2
67.05494	78.1
69.03414	16.0
69.07056	80.9
69.53239	12.5
71.01338	1.3
71.04974	7.1
73.06538	1.9
77.03893	1.2
79.05479	100.0
81.03403	20.2
81.07041	84.7
81.07529	3.3
83.04965	14.0
83.08605	17.2
85.02881	5.6
85.05472	1.2
85.06506	3.8
86.09687	3.1
88.47729	1.3
91.05463	80.2
93.07027	84.2
95.04951	21.9
95.08585	46.7
97.02870	12.8
97.06513	24.1
97.10146	12.5
98.20631	2.0
99.04430	1.9
99.08071	3.3
103.05424	3.0
104.05331	1.2
105.04511	2.2
105.06319	2.5
105.07011	49.2
107.04937	26.7
107.08572	43.5
109.02834	2.8
109.06494	11.8
109.10133	15.0
111.04401	2.4
111.08105	6.5
114.99815	1.1
115.05435	4.8
116.06216	2.2
117.07003	26.4
119.08559	53.2
121.06496	6.9
121.09238	2.9
121.10121	56.9
123.04404	2.9
123.08052	13.9
123.11658	3.2
124.99981	2.1
125.05953	3.9
125.09617	13.5
127.03907	2.6
128.06178	5.6
129.05452	2.3
129.06976	15.9
130.07797	1.8
131.08545	47.8
133.06425	9.1
133.10103	31.8
135.08047	18.4
135.11656	11.1
137.05931	1.5
137.09587	8.8
139.07536	1.4
139.11139	3.2
141.06963	5.8
141.09027	2.3
142.07755	3.2
143.07001	5.4
143.08530	13.3
145.06456	4.0
145.10094	27.0
147.08023	17.2
147.11644	13.6
149.05954	2.2
149.09586	35.0
149.13231	7.3
151.07501	5.4
151.11142	5.1
153.09068	4.0
155.08502	3.1
157.10089	13.5
159.07983	2.5
159.11668	14.2
161.08264	2.2
161.09587	7.6
161.13217	7.6
163.07466	1.6
163.11124	8.9
165.09119	6.5
167.08565	2.2
167.10625	3.8
169.10091	5.6
171.10234	2.9
171.11659	5.9
173.04466	2.2
173.09625	3.1
173.13258	5.5
175.11174	4.3
175.14838	1.5
177.09068	4.8
177.12723	4.4
179.07034	1.6
179.08495	1.5
179.14349	2.8
181.10101	2.6
183.11673	3.7
184.07326	10.3
185.09595	1.4
185.13228	4.1
187.11160	4.2
187.14789	4.1
189.09117	1.2
189.11168	4.0
189.12659	2.7
189.16353	7.2
193.12244	2.0
195.10188	1.7
195.13696	4.9
199.09592	7.6
199.11191	1.8
199.14810	12.0
201.16350	7.2
203.10603	1.2
203.14230	2.1
205.12224	1.8
209.13206	1.4
211.14774	3.5
215.14330	2.1
217.15805	12.1
221.11656	1.6
223.13199	13.0
225.11197	5.5
227.12538	14.5
227.14401	3.4
229.15948	9.1
233.15359	1.6
239.12718	4.1
239.17859	3.1
241.14296	13.4
245.15385	12.6
247.16969	9.0
249.14842	1.8
255.15784	3.6
257.18961	5.8
263.16333	8.6
269.17422	17.0
273.18472	9.7
275.20016	20.3
291.19492	74.5
295.15457	1.4
303.19449	2.2
317.21289	1.6
319.19107	3.0
321.20499	13.8
331.22546	1.7
337.19986	30.1
339.21472	2.2
349.23697	13.0
365.23181	31.8
367.24731	3.0
395.20322	1.4
440.23132	1.5
459.97556	1.7
491.29935	2.2
499.30429	1.9
507.28854	1.6
513.31934	3.4
517.31628	17.7
531.33167	54.3
532.33472	1.7
593.38037	3.4
611.39417	28.6
629.40332	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80542	1.6
65.03925	5.3
67.05495	55.2
68.79205	1.4
68.85257	1.3
69.03426	13.2
69.07059	72.8
71.04980	3.4
71.75269	2.1
71.75649	2.0
79.05482	65.0
81.03404	12.1
81.06600	3.1
81.07048	43.9
83.04959	7.3
83.08601	9.7
85.06530	1.8
85.39285	1.5
91.05466	53.9
93.07028	50.3
95.04961	13.5
95.08592	29.4
97.02879	15.3
97.06516	11.8
97.10152	16.6
103.05454	3.4
105.07007	28.7
107.04943	19.2
107.08578	23.8
109.06519	6.0
109.10129	10.6
111.08070	2.1
115.05443	3.4
117.07001	15.6
119.04952	3.2
119.08563	49.2
121.06497	5.9
121.10132	45.3
123.08049	14.6
123.11738	1.6
125.05960	2.2
125.09637	9.2
128.06201	4.8
129.06961	15.0
131.08545	30.9
133.06467	7.7
133.10109	16.0
135.08049	8.7
135.11656	4.6
137.09607	6.0
141.07025	1.8
141.09087	1.6
142.07735	2.6
143.07025	4.9
143.08539	13.6
145.10103	11.5
147.08018	22.8
147.11661	5.5
149.09581	16.2
149.13222	2.8
151.07521	4.1
153.09074	1.5
155.08582	2.1
157.10127	9.5
159.11687	6.8
161.08401	1.6
161.09579	8.9
163.07356	1.6
163.11185	2.5
165.09044	7.2
167.49417	1.7
171.11656	4.6
173.09560	2.3
173.13254	3.3
175.07509	2.8
175.11136	5.8
177.09102	4.3
177.12785	2.1
179.10519	1.7
180.34438	1.6
183.11678	2.2
184.07344	2.5
185.13264	2.3
187.14874	2.6
189.11200	5.0
189.16393	8.1
193.12126	2.1
199.09622	5.4
199.14810	14.2
201.12840	2.6
201.16344	1.6
205.12248	2.0
217.15848	12.9
223.13249	17.8
225.11072	3.6
227.12495	3.3
227.14348	5.3
239.12793	3.3
245.15378	14.8
245.19028	2.1
249.14885	4.1
255.17229	1.7
263.16437	11.5
269.96536	1.6
273.18430	15.0
289.12820	3.3
291.19498	100.0
292.19754	3.4
319.19025	3.8
337.20050	37.6
337.23862	2.8
347.21826	3.4
365.23169	51.2
366.23557	2.1
409.22379	2.2
529.31421	3.9
609.37830	5.7
627.38831	71.3
628.38757	3.5
747.43262	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06104	2.6
61.02894	1.6
67.05483	4.6
69.03412	3.8
69.07045	1.3
70.06582	2.5
79.05482	3.2
81.03402	3.2
81.07033	2.5
84.04511	1.3
84.08134	1.8
85.02872	4.6
85.07299	1.0
85.07664	11.2
86.09686	1.5
89.12008	1.2
91.05441	4.9
93.07047	7.6
94.06553	6.5
95.04943	2.6
95.07314	2.1
95.08565	1.4
96.08103	5.0
97.02863	2.9
100.11240	5.3
105.06977	1.9
106.06561	2.2
107.07322	5.5
108.08108	8.8
109.10112	1.8
110.09662	10.7
115.05395	1.5
120.08101	17.0
121.08859	2.5
122.06015	11.4
122.08795	2.0
122.09648	35.7
124.07549	3.7
126.09116	1.3
127.03885	2.7
129.07014	1.8
131.07289	4.8
132.08028	1.7
134.09590	1.3
136.07558	48.7
137.09566	2.4
138.09128	36.2
140.10652	11.4
144.08105	1.8
145.09950	1.7
146.09618	7.1
148.03897	1.3
148.07584	2.8
148.11176	2.6
150.09119	12.4
153.01836	1.2
159.10434	2.1
160.07599	1.3
160.11134	1.5
162.90211	1.4
165.09103	1.6
166.08638	3.6
168.10161	3.6
172.07536	2.1
174.09109	21.5
174.12743	2.0
174.70320	1.3
175.04961	3.5
176.10718	1.9
177.06599	3.1
182.15352	1.6
186.09181	2.9
187.08652	1.5
188.10678	4.3
192.10152	8.4
199.08647	4.2
200.10683	4.3
201.06526	5.6
202.12257	14.2
203.04533	2.1
209.16472	1.7
210.09169	1.4
210.14922	3.3
211.08524	6.5
213.06662	1.7
213.10190	2.4
214.12250	5.6
215.08128	3.4
215.11726	1.3
216.10329	2.1
216.13805	49.5
220.09615	10.2
224.10738	2.4
225.06607	4.6
225.10191	3.0
226.07307	3.0
226.12209	3.3
227.08076	17.9
228.10268	3.2
229.06091	8.4
229.09639	2.9
230.11781	2.7
231.07843	1.4
235.07007	1.5
237.10155	2.2
238.08589	2.1
239.08112	59.6
240.08472	2.4
241.09418	6.0
241.13309	2.8
242.11739	15.2
243.11148	2.0
243.14876	3.4
250.08562	1.4
252.09686	1.3
253.06081	2.9
253.09645	5.1
254.06816	3.8
255.07651	6.5
255.11180	3.4
265.09677	2.9
267.07617	20.9
267.11169	6.2
268.08282	1.7
269.09103	2.2
269.12793	4.1
277.09912	1.5
279.11206	1.7
281.09323	6.1
283.10654	2.1
285.08701	3.5
285.12048	1.6
286.09531	3.0
287.10181	9.7
291.11374	2.3
295.10742	7.9
296.11432	2.2
297.12326	3.6
299.10245	42.9
299.13669	2.1
300.10577	2.2
307.14313	2.0
309.12128	3.2
313.11899	4.6
317.06488	13.6
317.12857	2.4
323.10214	3.2
323.13712	1.9
334.15500	2.0
341.11365	4.4
342.14267	2.1
343.13663	1.8
344.14035	1.9
345.15860	2.4
348.17075	3.2
349.15369	3.0
355.13327	1.9
359.12479	2.1
360.16885	1.5
362.14941	7.7
364.16534	2.6
366.18234	8.9
369.14691	2.0
371.12869	1.6
373.15375	9.5
375.17090	2.7
385.14301	1.6
388.16675	2.1
390.14291	4.1
390.18533	3.1
392.15924	4.3
392.20239	1.7
398.14499	1.6
399.13379	3.2
400.16779	6.0
401.14813	9.8
402.17981	4.0
410.17059	2.4
416.15906	5.0
418.17581	21.7
420.19049	5.5
422.17105	3.6
428.15967	1.6
432.18576	1.8
433.17642	1.6
434.17111	2.1
436.18564	4.9
442.19604	7.3
444.15479	28.6
446.16922	7.6
448.18655	1.7
450.19958	3.2
462.16428	17.4
464.17905	4.0
476.18228	16.9
494.19159	86.6
495.19385	4.9
496.20956	6.8
511.27188	1.5
518.18646	1.5
539.26550	6.6
557.27576	13.1
565.23901	3.6
567.25751	4.0
583.25464	15.5
585.18549	1.6
585.27094	27.6
601.26416	17.5
606.20856	1.7
611.24835	25.0
615.27563	3.8
629.26001	100.0
630.25873	5.9
633.28943	18.1
643.27478	7.3
661.28571	78.7
662.28644	5.1
679.50916	11.3
791.31219	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.0
67.05482	2.0
69.03419	1.0
70.06575	1.6
71.74389	0.9
76.84317	0.5
79.05476	1.4
81.03413	1.1
81.07034	0.9
84.08141	0.7
85.02904	3.0
85.91592	0.6
86.09666	0.6
91.05457	3.5
93.05761	1.0
93.07023	2.5
94.06559	3.8
95.04945	2.0
95.07355	0.9
95.08614	0.6
96.08112	1.7
97.02875	1.2
97.06481	1.0
106.06550	1.1
107.07327	1.3
108.08119	4.0
110.09647	2.7
112.20800	0.5
114.40289	0.6
118.06491	1.1
120.08072	4.8
122.06025	5.8
122.09657	11.7
124.07553	0.7
126.05485	0.9
131.07289	0.9
136.07559	40.5
137.08185	0.7
138.09129	14.7
140.10675	14.8
146.09631	1.4
148.07529	1.3
150.09105	1.5
163.03900	0.6
166.08623	1.1
172.11275	0.8
174.09186	5.0
175.05029	2.3
176.10789	0.7
177.06602	1.1
183.09131	0.6
188.10687	1.8
192.10188	2.0
198.07767	1.4
199.08557	3.9
200.10715	1.5
201.06558	2.2
202.12288	5.4
203.04521	1.5
208.07584	0.6
211.08617	6.5
212.09154	0.7
213.06621	1.2
213.10237	1.9
214.12312	1.0
215.08258	1.5
216.10255	0.5
216.13847	4.4
220.09686	2.5
224.10776	1.1
225.06633	3.2
225.10228	1.0
226.07239	3.5
226.12280	1.3
227.05840	0.9
227.08098	17.3
227.11612	0.9
228.10268	1.6
229.06102	2.4
229.09634	1.1
230.11641	0.8
235.07143	1.6
239.08115	49.5
240.08731	2.3
241.09642	4.3
242.11736	4.7
243.07507	0.7
250.08682	0.8
251.08255	0.6
253.06073	3.0
253.09779	2.3
254.06868	4.1
254.10039	0.7
255.07611	6.4
255.11215	1.8
259.10379	0.6
261.08749	1.4
265.09714	1.4
267.07620	14.9
267.11200	2.1
268.08060	0.9
269.09125	1.4
269.12787	2.0
271.10867	1.0
279.11197	0.6
281.09183	2.1
282.10159	0.7
285.08731	3.6
286.09445	3.3
287.10214	12.6
287.13394	1.2
295.10745	2.3
296.09116	0.7
297.12366	1.0
299.10236	47.8
300.10583	2.5
301.11972	1.6
302.15732	0.9
311.10077	0.9
313.11871	1.6
315.13483	1.9
317.12811	1.6
334.15598	1.8
343.13000	1.6
344.13904	1.3
345.12076	0.9
346.15872	0.8
347.13135	0.8
355.13211	1.0
357.15308	0.7
362.14951	7.6
364.16528	1.4
366.18222	0.8
371.13623	0.9
372.13327	1.6
373.15503	4.6
377.14310	0.8
388.16559	0.9
390.14465	4.5
390.18726	1.0
391.14978	0.7
392.15652	1.3
399.13202	1.4
400.16516	3.1
401.15021	2.0
402.18448	0.8
406.17798	0.6
410.17130	1.4
416.16064	4.8
418.17615	8.3
420.19055	1.5
421.16501	0.6
422.16989	4.7
424.18970	0.8
431.15918	0.9
431.35614	0.7
433.17496	1.7
434.16928	1.6
436.18719	2.2
442.19699	10.1
444.15469	4.8
445.14801	0.9
446.17032	2.5
450.20352	2.9
462.16611	1.3
464.18124	3.0
476.18103	17.7
477.18539	1.1
478.19467	1.9
494.19162	100.0
495.19513	5.9
496.20731	32.4
496.28262	1.1
497.20776	2.2
508.20273	0.8
583.25629	1.1
585.26819	2.0
601.26459	2.1
611.25018	2.2
615.28101	6.4
629.26105	8.6
633.29120	35.9
634.29773	2.5
643.27618	5.5
661.28601	50.9
662.28595	4.1
675.83221	0.7
823.31824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	1.9
69.03403	1.2
70.06600	0.5
71.00897	1.1
71.01250	0.6
73.02898	0.4
73.99633	0.5
79.05473	0.7
80.05001	0.8
81.03378	0.5
81.07023	0.7
84.08146	0.4
85.02888	1.5
91.05457	3.9
93.07026	3.7
93.45487	0.4
94.06555	4.2
95.04970	2.6
95.07336	1.2
96.04495	0.5
96.08121	2.1
96.61916	0.4
97.02892	0.6
105.04481	0.5
106.06543	1.0
106.40840	0.4
107.07297	2.2
108.08109	4.9
110.09666	3.7
117.14404	0.4
118.06525	0.5
120.08096	5.2
122.06014	8.0
122.09648	14.4
124.07547	1.3
126.05491	1.2
129.06955	0.5
131.07298	1.4
134.09679	0.5
135.10159	0.5
136.07556	48.2
137.07962	0.5
138.09116	14.5
140.10681	16.3
140.11777	0.9
145.07619	0.5
146.09613	2.5
148.07480	0.6
150.09087	2.3
158.09680	0.7
159.10361	0.6
160.11258	0.4
166.08656	1.2
168.10162	0.9
171.09215	0.7
172.07574	0.9
173.07118	0.9
174.09132	6.1
174.12582	0.5
175.05022	3.9
175.08582	0.8
176.10738	1.2
177.06593	1.7
182.09557	0.5
183.09216	0.9
185.06999	0.7
186.09155	0.8
187.08627	1.5
188.10724	1.7
192.10120	2.2
197.07152	0.6
198.07895	1.7
199.08591	5.1
199.09985	0.4
200.10684	1.8
201.06505	2.9
201.10291	0.8
202.12234	5.9
203.04486	1.4
203.08165	1.1
210.09038	0.6
211.08594	6.7
212.09148	0.9
213.06503	1.3
213.10162	2.6
214.12286	1.5
215.08058	1.3
216.10394	0.7
216.13846	5.5
220.09605	2.9
224.10680	1.1
225.06581	2.4
225.10173	1.0
226.07178	3.5
226.12268	1.1
227.08113	22.6
227.11664	0.9
228.10136	1.8
229.06053	2.4
229.09607	1.0
231.07553	0.5
235.07149	1.6
236.06981	0.8
237.10159	0.7
239.08115	55.1
240.08278	2.7
241.09554	4.6
241.13460	1.1
242.11818	5.8
243.07564	0.8
243.11276	0.9
250.08762	0.7
251.08231	1.2
252.10156	0.5
253.05975	2.6
253.09718	3.4
254.06715	3.5
255.07631	7.5
255.11237	1.7
257.09314	0.6
261.08719	1.5
265.09686	2.1
266.10611	0.6
267.07657	15.4
267.11191	2.5
268.08374	0.7
268.11996	0.6
269.09167	1.6
269.12595	2.1
273.08813	0.5
277.09650	0.6
277.16916	0.5
281.09189	2.1
282.10062	0.9
282.13043	0.5
283.10846	1.5
285.08682	3.9
285.11801	0.9
286.09418	3.7
287.10223	11.7
293.09143	0.5
295.10693	2.0
296.08994	0.6
297.12338	0.8
299.10226	48.5
300.10751	2.4
300.13928	0.5
301.11871	1.3
302.15942	1.0
306.15765	0.5
309.12564	0.5
311.10361	1.2
313.11725	1.6
315.13480	1.7
317.12845	1.8
319.14133	0.6
327.13489	0.7
332.10110	0.7
334.15524	1.6
341.10931	0.9
343.13300	0.9
344.13947	1.5
345.12314	1.5
345.15979	1.1
346.11719	0.8
346.15610	1.1
347.12683	0.7
348.17126	0.8
355.13263	0.7
361.14795	0.6
362.14902	8.0
364.16470	2.0
364.24097	0.5
366.10818	0.6
366.18262	1.3
371.13055	1.3
372.13428	1.4
373.15454	3.7
374.15051	0.7
375.17050	0.7
377.14835	0.7
385.14468	0.5
388.16504	1.2
390.13925	5.2
390.18326	1.9
392.15604	1.0
392.19788	1.5
398.14655	1.2
399.13565	1.2
400.16675	2.8
401.14728	3.7
402.18152	1.4
404.16010	0.7
410.16934	1.4
416.15994	4.3
418.17590	8.5
420.19009	1.2
422.17053	5.2
424.18579	1.2
426.14465	0.5
427.12973	0.6
433.17456	2.1
434.16873	1.1
436.18497	2.4
442.19681	9.4
444.15506	5.5
446.17004	2.2
448.18677	0.8
450.20248	3.2
458.17163	0.6
459.15701	0.8
462.16803	1.8
464.17957	3.2
476.18127	20.3
477.18198	1.5
478.19861	2.2
482.19504	0.5
489.99127	0.5
494.19159	100.0
495.19403	6.9
496.20724	31.4
497.21030	1.6
524.00574	0.5
539.26038	0.6
557.27576	1.1
583.25110	1.2
585.26794	1.6
597.26855	0.5
601.26239	2.2
611.25275	2.2
615.28156	6.7
629.26044	8.3
630.25659	0.6
633.29114	34.5
634.29236	2.4
643.27423	5.9
661.28589	53.0
662.28912	3.8
706.35516	0.6
795.34332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23493	0.4
67.05431	2.1
70.06532	0.8
71.73901	0.6
71.74305	0.6
72.08095	0.5
79.05399	0.5
85.02852	0.7
86.09631	0.7
91.05459	2.8
93.06950	2.1
94.06480	1.9
95.04891	0.9
95.08546	0.5
97.02833	0.5
101.53243	0.4
103.47208	0.4
108.08060	1.1
110.05938	0.7
110.09606	0.6
120.08000	1.3
122.06004	4.0
122.09541	1.9
124.07480	1.8
126.05428	0.8
136.07556	23.3
138.09137	2.5
146.09555	1.2
148.07442	0.8
150.09065	0.8
152.45882	0.5
158.09496	0.4
166.08542	0.6
173.06911	0.5
174.09047	1.7
175.04926	1.5
183.09010	0.9
195.36758	0.5
198.07739	0.5
199.08632	3.2
200.06810	0.5
200.10674	0.6
201.06505	1.1
202.12166	2.1
203.04337	0.8
211.08633	6.8
213.06355	0.7
213.10146	1.3
215.11691	0.8
216.10214	0.4
216.13834	1.0
217.13403	0.5
219.19585	0.5
224.10591	0.9
225.06482	1.6
225.10211	0.7
226.07327	2.8
227.08124	12.8
228.08278	0.6
228.10358	0.6
229.05952	1.5
230.11545	0.5
235.07010	0.9
238.08626	0.6
239.08116	57.8
240.08646	3.6
241.09561	5.0
242.11662	1.9
243.11375	0.6
245.04243	0.7
251.08107	1.1
253.06003	1.0
253.09741	2.0
254.06775	1.7
255.07533	3.9
255.11115	1.0
265.09641	0.7
267.04938	1.0
267.07626	15.7
267.11099	2.0
268.08063	0.8
269.09088	1.6
277.09540	1.0
281.09164	1.3
285.08606	2.6
286.09348	1.6
287.10223	8.3
291.11172	1.3
291.14713	1.1
293.09161	0.6
293.12820	0.7
293.16373	0.7
295.10733	1.4
296.09137	0.5
298.09329	0.7
299.10229	54.7
300.10617	2.1
301.11902	0.9
302.10471	1.8
303.04910	0.6
303.11108	0.6
304.11865	0.9
305.12408	0.7
306.16000	0.8
313.11768	1.3
317.12823	3.4
319.14365	5.4
320.13974	1.0
321.15750	1.3
327.13541	0.9
334.15375	2.6
336.16904	1.6
341.11118	0.9
345.12115	0.9
345.15976	0.9
346.15689	0.9
347.12781	0.7
348.13358	0.6
362.14920	14.9
363.14984	0.8
364.16531	3.4
372.13214	1.0
373.14999	2.6
374.14807	0.6
382.17542	0.8
390.14252	6.4
390.18390	0.9
392.15979	0.9
394.92828	0.5
394.98526	0.8
399.13239	0.9
400.16391	1.3
401.14725	0.9
416.15945	2.1
418.17587	4.1
422.17029	4.7
433.17535	1.2
434.16962	1.9
436.18637	10.9
442.19800	1.2
444.15457	2.6
450.20255	1.9
462.16608	4.8
464.18176	1.6
476.18112	7.6
490.15836	0.5
494.19153	100.0
495.19351	4.8
496.20682	15.3
601.26715	0.6
615.27863	2.5
629.25824	2.3
633.29114	33.3
634.29401	1.3
643.27551	1.6
661.28589	66.3
662.28790	4.0
675.30566	0.7
795.34009	2.8
823.33691	5.6
838.95752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	17.3
57.07064	1.5
59.04996	0.7
61.02916	70.6
65.03931	1.6
67.05495	30.1
69.03419	26.8
69.07061	6.4
70.03757	0.7
70.06583	1.5
71.01334	3.2
71.04974	4.5
73.02905	21.7
75.04459	1.9
77.61430	0.4
79.05480	20.6
79.72208	0.5
81.03405	24.1
81.07043	28.7
83.01341	1.4
83.04967	4.5
83.08593	3.3
85.02891	100.0
85.06520	1.5
86.03251	0.8
87.04439	2.5
87.76554	0.5
88.07615	1.3
91.03941	54.0
91.05460	13.2
91.06033	0.8
93.05505	0.7
93.06419	0.7
93.07030	23.2
95.04962	4.6
95.08593	20.3
97.02878	67.9
97.06516	1.6
97.10158	1.3
98.03238	1.2
99.00797	0.6
99.04435	12.9
99.08044	0.8
101.02358	4.9
102.09180	0.8
103.03925	9.3
103.05428	0.6
105.07021	11.3
107.04959	1.3
107.08582	12.2
109.02863	12.4
109.06480	2.4
109.10135	11.2
111.04417	3.0
111.08066	1.0
111.11674	0.5
115.03907	6.7
117.05511	2.6
117.06993	4.7
119.08566	8.4
121.06469	0.5
121.10121	11.6
123.04404	0.7
123.08083	1.2
123.11689	4.7
125.02261	0.5
125.09570	1.0
127.03897	35.9
129.05461	4.2
129.06946	2.3
131.04887	0.9
131.08542	7.8
133.06476	1.0
133.10121	7.2
135.08069	1.0
135.11662	7.6
137.05920	0.8
137.09555	0.7
137.13217	2.0
139.03859	1.0
139.11194	0.6
141.06950	0.5
142.07767	0.6
143.06973	0.5
143.08519	2.9
145.04936	27.5
145.10109	6.6
147.07986	0.9
147.11673	6.1
149.02315	3.8
149.09628	1.1
149.13213	4.6
151.14749	0.6
155.07059	1.1
155.08504	0.7
157.10091	2.1
159.06494	2.1
159.07951	0.6
159.11653	4.8
161.09647	0.8
161.13237	4.6
163.06003	15.7
163.11014	0.9
163.14787	2.6
165.05493	0.6
167.08580	0.5
169.04939	0.8
169.10072	1.3
171.06502	2.0
171.07942	0.7
171.11652	2.0
173.04382	0.6
173.13228	5.1
175.11150	1.0
175.14786	1.3
177.12680	0.9
177.16380	1.2
179.14325	0.8
180.30568	0.6
181.10080	0.6
183.06519	7.6
183.08015	0.6
183.11649	1.1
185.13249	1.7
187.05957	0.6
187.14766	2.6
189.16319	0.6
191.14331	0.7
193.04935	1.8
199.11127	0.5
199.14787	0.8
201.07565	5.8
201.16489	1.0
204.77336	0.5
209.13316	0.6
211.14711	0.8
219.08575	1.3
228.23161	3.2
233.15129	0.7
233.22580	0.7
241.07011	0.6
241.19460	1.4
243.21017	4.7
244.44850	0.5
258.90961	0.5
259.20618	2.4
261.22110	16.0
263.23450	0.6
271.20496	0.7
273.21899	0.7
275.19989	0.6
275.23328	0.6
277.21487	1.2
279.23026	1.1
285.22006	1.5
289.21597	0.6
291.23077	0.7
301.21683	0.9
303.23166	2.7
315.23007	1.7
317.24664	0.9
327.22980	1.6
333.24185	1.1
335.25751	48.1
336.25903	1.8
339.22604	0.5
341.24661	1.3
345.24084	1.9
351.23169	1.7
353.26855	1.1
359.25455	1.0
363.25049	2.2
365.27036	0.6
369.24100	4.1
377.26694	3.4
387.25043	1.9
389.26657	1.0
405.26151	1.3
419.27628	1.4
431.27615	0.9
443.27820	4.3
461.28857	4.0
479.29990	8.2
497.30957	2.6
621.16309	0.7
822.37018	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	14.9
58.84060	1.2
65.03901	1.4
66.97666	1.3
67.05495	55.8
69.03425	2.9
69.07054	24.1
69.45616	12.4
69.46026	2.3
71.04977	2.5
73.02905	1.2
79.05480	53.5
81.03409	4.4
81.07043	100.0
83.04961	4.9
83.08598	9.9
85.02898	1.9
85.06538	2.4
86.09696	7.8
87.10035	2.1
91.05464	30.6
93.07033	47.3
95.04954	8.0
95.08594	38.9
97.02848	1.6
97.06497	8.5
97.10134	2.2
99.08083	4.2
105.07012	22.5
107.04952	5.7
107.08578	26.0
109.06489	8.0
109.10127	15.3
111.08066	2.0
117.06990	9.2
119.08567	16.8
120.25144	1.3
121.06509	2.0
121.10123	25.9
123.08078	3.6
123.11683	2.8
124.99962	4.1
125.09561	1.3
127.07523	2.7
129.05467	1.3
129.06996	3.7
131.08549	18.8
133.10086	17.4
135.08012	5.5
135.11641	11.2
137.09593	3.3
137.13277	1.7
141.06960	1.5
143.07001	3.7
143.08543	3.9
145.08604	4.3
145.10094	14.9
147.08044	2.2
147.11691	7.9
149.09584	10.0
149.13245	5.6
151.11151	2.0
157.10124	2.6
159.11668	7.6
161.08078	1.7
161.13225	4.5
163.11182	3.4
163.14793	3.1
167.10648	2.2
169.10120	2.5
171.11664	1.8
173.13228	6.8
175.14799	1.6
177.12553	1.6
183.11653	2.8
184.07315	21.4
185.07681	5.2
186.07742	2.4
187.14772	2.5
189.12688	1.5
199.09645	6.6
201.11182	31.0
201.12976	1.6
201.16356	7.6
211.14786	2.8
229.15849	4.8
241.14294	17.0
242.23132	1.4
242.47081	1.4
243.21057	4.9
247.16910	10.0
247.70671	1.5
261.22101	14.9
265.17966	3.3
281.17285	2.8
299.23453	1.7
317.24802	2.5
321.20575	15.1
333.24100	1.3
335.25726	65.1
336.26178	1.7
339.21490	10.2
385.24023	1.5
409.30887	1.7
461.32407	12.9
462.32681	2.0
479.33725	2.8
501.35757	19.9
541.38519	5.3
581.41888	16.8
599.42987	11.4
814.43457	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	0.3
59.07376	0.2
60.08155	4.9
69.02557	0.2
71.07365	2.8
86.09697	23.3
95.08553	0.2
98.98454	2.8
104.10732	1.9
119.93697	0.2
124.99992	15.1
135.44139	0.2
143.01080	0.2
163.32671	0.2
184.07327	100.0
185.07689	0.9
229.52600	0.2
244.53542	0.2
309.66876	0.2
350.34766	0.2
411.37201	0.2
472.42447	0.2
714.46161	0.8
778.52557	0.2
796.54071	0.6
814.55603	1.1
815.41980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	0.3
59.07384	0.2
60.08157	6.1
67.05494	0.7
69.07067	0.2
70.06570	0.2
70.14641	0.7
70.57549	0.2
71.07365	3.4
79.05490	0.4
79.29802	0.2
81.07046	0.5
86.09693	30.2
87.10039	0.3
89.75378	0.2
91.05489	0.3
93.07033	0.5
95.05005	0.2
95.08582	0.3
97.06542	0.2
98.98448	3.4
98.99065	0.3
102.59053	0.2
104.10730	1.9
105.07010	0.3
116.45898	0.2
121.10138	0.2
124.99988	20.9
143.00992	0.4
146.19821	0.2
164.79323	0.2
181.42317	0.2
184.07320	100.0
185.07669	0.8
246.44734	0.1
365.05365	0.2
388.48056	0.2
488.35919	0.2
518.32452	0.3
524.03876	0.2
616.50391	0.2
778.53595	4.8
779.53424	0.4
815.44379	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.3
65.03939	1.2
67.05511	2.4
69.03412	2.8
70.06576	4.0
71.05926	3.0
71.93548	1.2
72.08160	1.2
79.05487	3.2
80.05019	2.5
81.03403	3.4
82.06569	1.6
84.08134	1.0
85.02892	6.1
86.09692	1.7
91.05460	3.4
93.07028	6.7
94.06544	5.8
95.04953	1.6
95.07332	4.8
96.08121	6.8
97.02882	2.5
97.06499	3.3
104.98539	1.1
105.07029	2.5
106.06544	1.7
107.06674	1.6
107.07314	8.9
108.08132	6.1
110.09673	14.4
115.05388	1.2
120.08102	13.3
122.06002	4.0
122.09651	51.9
129.07062	1.9
130.06557	1.9
130.56781	1.2
131.04948	1.2
131.07292	5.5
136.07568	8.2
137.05998	8.0
138.06335	3.2
138.09129	62.5
140.10687	73.7
143.07286	2.7
144.08083	3.3
145.07599	1.4
146.09592	6.5
147.04381	1.7
147.05527	3.2
149.07115	1.4
150.09131	5.1
156.08116	1.5
157.08791	7.5
158.09650	2.9
160.07585	1.5
162.05435	1.6
163.03839	2.0
166.08678	2.9
168.10201	5.0
172.07593	7.1
172.11212	20.7
173.02284	2.5
173.07100	1.6
173.08423	1.6
174.09122	11.9
175.05016	26.2
180.08095	1.5
180.10176	1.7
184.07417	2.1
185.08389	2.1
186.09142	9.5
186.12675	1.5
188.10666	1.9
192.10178	4.7
198.09169	3.8
200.10693	83.9
201.06529	4.6
202.08643	1.7
202.12259	1.6
203.04491	11.3
209.08394	1.6
210.09254	2.4
211.10204	1.6
212.10715	4.2
213.06590	2.1
214.12247	23.9
215.06783	2.0
215.08385	1.6
216.07349	2.1
216.10172	1.6
220.09619	5.0
221.05643	1.5
224.10840	6.7
225.06555	5.3
225.10190	3.0
226.08559	3.9
226.10670	1.2
227.08142	2.5
228.10175	5.4
229.06099	5.2
235.07112	16.5
236.07129	2.4
238.08614	1.7
239.09778	1.5
239.11836	3.2
240.10194	22.0
241.13335	2.4
242.11746	1.3
248.10663	1.3
250.08708	2.0
251.08203	3.0
253.05989	2.5
253.09703	8.5
261.08673	2.4
264.06625	1.5
265.09760	5.2
267.11353	4.6
279.07617	3.7
280.08282	2.2
281.06619	1.6
281.09241	10.6
287.11697	1.4
293.09076	3.2
296.09091	5.6
298.11987	1.6
299.11874	1.5
300.12292	1.6
302.15799	2.1
303.10901	1.6
304.14252	3.6
313.11948	2.1
314.12848	4.3
315.11127	2.4
315.14755	4.2
316.11288	1.3
317.11835	3.8
318.12433	1.8
325.12497	1.3
326.12018	3.9
327.11206	3.0
327.14737	1.5
328.12167	4.2
329.12686	3.0
332.13858	8.1
341.12897	2.9
342.12292	8.1
343.14508	9.7
344.10172	1.4
344.14175	2.5
345.11319	6.3
345.15286	1.7
346.15530	1.8
353.12640	2.9
355.14328	2.5
356.11505	4.1
357.11520	2.9
360.13385	27.1
360.17242	4.0
362.18829	1.7
364.16428	6.9
368.13898	2.0
369.12189	7.4
370.11954	4.2
370.15991	1.6
371.13895	24.6
371.75241	1.3
372.17172	2.7
373.11478	1.4
373.15710	7.2
381.11908	1.7
382.09634	2.1
383.13138	1.7
385.10968	1.6
386.15005	1.8
388.12286	15.8
388.17395	10.6
390.13904	2.7
390.18140	3.7
396.13455	4.3
396.19266	5.4
397.11813	14.1
398.15186	10.6
399.13309	21.5
400.16699	2.0
401.14832	6.1
402.14468	3.3
403.16568	3.3
414.14685	7.3
415.13293	1.3
416.16068	42.1
417.14734	2.7
418.17438	5.1
420.11105	1.5
420.15451	14.9
420.19595	1.3
423.14716	1.2
424.13165	2.2
425.11240	5.1
427.12015	2.2
429.14359	4.6
430.16818	1.4
431.15927	10.0
434.16956	5.3
440.18054	15.3
442.14023	11.8
444.15543	3.6
448.18668	77.8
449.18930	2.6
449.49185	1.3
450.20215	20.8
456.15573	2.9
457.13986	12.0
474.16638	35.1
475.17218	1.9
476.18375	5.9
492.17624	100.0
493.17822	4.9
494.19177	28.5
537.24792	3.7
555.26123	6.4
563.23346	1.8
565.24347	1.5
569.27679	16.5
583.25494	10.9
587.28638	18.7
595.25226	4.1
597.26678	5.3
599.24487	4.1
609.23169	2.6
613.26392	22.1
615.28162	14.7
623.24908	1.8
627.24396	11.3
631.27551	86.5
632.27600	2.8
641.26392	8.8
659.27063	71.1
660.26569	3.3
763.66925	1.4
815.71045	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.2
57.07058	0.2
58.06609	0.3
58.10625	0.1
60.08158	6.7
61.41247	0.1
62.60504	0.2
64.80917	0.2
67.05497	0.7
69.07068	0.2
69.41249	1.5
69.41660	0.3
70.95692	0.2
71.07363	3.7
72.54055	0.2
79.05482	0.5
80.66732	0.1
81.07053	0.7
86.09698	31.1
87.10040	0.3
91.05490	0.3
93.07037	0.4
95.04961	0.2
95.08616	0.4
97.06535	0.2
98.21507	0.3
98.98450	3.7
103.78709	0.2
104.10734	2.8
105.06980	0.3
107.08595	0.2
119.08525	0.2
119.56414	0.2
121.10094	0.2
123.63039	0.2
124.99991	20.9
135.11676	0.2
143.01053	0.4
155.27002	0.2
156.42691	0.2
166.02682	0.2
184.07326	100.0
185.07669	1.1
234.62927	0.2
335.25760	0.3
747.74414	0.2
794.53271	5.2
795.53461	0.5
813.41461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	17.4
57.07056	4.9
57.96412	1.7
61.02900	3.4
63.88420	1.9
65.03941	4.2
67.05499	76.3
67.08797	2.3
69.03415	8.4
69.07061	32.0
69.61450	11.7
69.61860	3.1
71.04974	6.7
73.02912	4.3
79.05014	2.8
79.05485	75.4
81.03397	11.0
81.07049	77.5
83.04967	8.8
83.08616	16.2
85.02885	5.5
85.06530	8.2
86.09683	2.7
86.40286	1.8
91.05474	100.0
92.05829	2.0
93.07036	80.4
95.04964	19.3
95.08600	51.1
97.02870	6.8
97.06514	13.7
97.10162	6.1
98.20638	3.3
99.04433	2.9
99.08095	4.9
103.05451	4.0
104.68736	1.7
105.07023	75.1
107.04939	8.4
107.08588	39.6
109.02877	2.8
109.06499	7.6
109.10134	16.0
111.08062	7.7
115.05446	3.5
117.07005	33.3
119.08575	69.5
121.06505	4.7
121.10125	30.8
123.08033	6.1
123.11700	6.0
125.09654	4.6
127.03949	2.5
128.06207	9.1
129.05499	3.9
129.06993	28.9
130.07780	3.7
131.08556	34.6
133.06487	2.8
133.10112	68.2
135.08067	10.0
135.11679	22.9
137.09604	6.2
141.06990	9.2
142.07796	6.9
143.08537	21.5
145.06483	3.4
145.10103	44.6
147.07985	3.3
147.11671	42.8
149.09584	13.9
149.13254	8.3
155.08569	8.8
157.10118	27.8
159.11668	22.1
161.09604	5.6
161.13237	6.1
162.46098	1.8
163.11197	7.1
165.12813	2.9
167.08527	5.4
169.10100	14.1
171.07974	2.8
171.11673	30.0
173.09583	4.1
173.13203	11.4
175.11246	5.5
177.12741	2.8
179.08524	3.2
179.14259	2.4
181.10092	5.6
181.12003	2.0
183.11694	14.4
184.07353	8.7
185.11798	3.3
185.13208	11.5
187.14816	7.8
189.11130	2.1
189.12691	3.2
189.16368	7.7
191.10490	2.1
193.10263	3.9
193.12129	2.2
195.11691	7.8
195.13739	2.6
197.13243	8.4
199.11140	2.5
199.14836	4.1
203.14293	3.5
203.17958	8.0
205.10165	2.5
207.11694	2.3
209.13226	5.1
211.14899	4.6
213.16373	38.8
215.17896	2.8
221.13223	4.0
223.14912	3.5
225.16393	4.4
227.12703	4.2
229.15906	3.5
229.19464	2.3
231.17410	49.3
233.13132	2.4
233.18701	2.1
237.16269	2.4
239.17805	3.7
255.15894	8.5
257.18973	3.3
259.20547	4.6
267.15924	2.6
269.17297	13.7
273.18600	3.6
275.19989	15.1
284.54108	2.0
287.20169	2.8
291.19547	2.8
305.21130	31.1
307.22699	8.1
349.23639	12.0
365.24057	2.3
367.24957	3.0
389.28220	2.3
393.28067	2.5
407.29391	7.5
425.30304	3.5
481.33203	2.9
485.32642	19.9
487.34738	4.0
499.34122	30.8
505.37057	2.6
517.35059	4.1
523.37164	2.6
579.40338	16.2
597.41193	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	13.6
57.07074	6.1
58.20067	2.8
61.02905	4.2
64.08562	2.9
65.03922	5.2
67.05495	77.8
69.03411	9.8
69.07055	34.7
70.06580	2.9
71.04974	7.5
71.75543	3.2
73.02898	2.9
77.45370	2.5
79.05007	4.9
79.05480	77.9
81.03393	10.6
81.07046	84.2
83.04967	11.8
83.08602	10.7
85.02861	3.1
85.06538	8.0
86.06084	4.3
86.09696	3.5
87.04456	2.8
91.05467	100.0
93.07032	75.9
95.04955	14.7
95.08588	46.8
97.02870	5.8
97.06528	13.7
97.10143	4.8
99.08092	6.0
105.07010	77.5
107.04914	7.4
107.08575	46.1
109.06500	9.2
109.10134	17.8
111.08046	4.6
115.05447	5.7
117.05710	3.3
117.07010	33.1
119.08572	63.7
121.06507	4.8
121.10138	38.5
123.08097	4.0
123.11710	6.3
125.09646	3.7
128.06186	3.3
129.05472	2.8
129.06985	25.1
130.07716	3.2
131.08545	40.7
133.10109	67.7
135.08008	8.8
135.11674	18.6
137.09634	6.1
138.71184	3.1
141.06979	8.2
142.07758	3.1
143.08545	24.5
145.10106	42.1
146.10423	2.8
147.08041	6.3
147.11662	47.4
149.09595	9.4
149.13246	10.5
151.11227	4.4
154.07797	2.8
155.08546	7.5
157.10106	29.6
158.10817	3.5
159.11639	25.0
161.09578	6.0
161.13232	9.7
163.11168	7.8
166.88768	2.8
167.08540	3.5
169.10133	12.1
171.11653	29.6
173.13237	11.5
175.11090	3.3
175.14862	6.0
177.12634	3.6
181.10033	5.5
183.11673	9.2
184.07352	8.7
185.13252	8.5
187.14879	7.2
189.08957	2.7
189.16345	8.4
195.10086	3.4
195.11728	6.0
195.13844	3.3
197.13254	5.9
199.14743	3.7
201.12726	3.1
203.17914	9.6
207.11722	2.7
209.13303	5.2
213.16370	29.9
215.17899	4.5
221.13243	4.8
229.15779	4.9
231.17451	49.9
255.15784	4.3
269.17490	13.8
273.18387	4.2
275.20023	9.7
291.19489	4.2
305.21140	32.6
307.22684	9.7
330.48398	2.7
333.24066	3.6
349.23654	6.3
365.23608	3.6
389.28210	4.8
407.29520	3.6
425.30408	3.1
427.17871	2.7
443.32089	3.7
485.32504	12.7
487.35413	4.4
499.34149	40.1
517.35406	5.6
521.34680	3.1
579.40454	18.4
597.41528	16.9
615.42297	7.4
697.04681	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	14.8
57.07055	4.5
57.86219	2.5
60.39131	2.3
60.94963	2.5
65.03932	3.9
67.05495	68.7
69.03415	8.1
69.07066	62.3
71.04984	4.1
71.76201	4.9
77.03901	3.1
79.05489	100.0
79.31315	2.9
81.03396	9.5
81.06595	4.6
81.07051	69.1
83.04974	9.4
83.08599	10.8
85.06521	4.5
86.09696	3.6
89.06017	3.9
91.05474	95.0
91.06034	5.6
93.07037	84.1
95.04942	20.0
95.08601	52.0
97.02866	7.1
97.06520	19.0
97.10171	4.1
98.62649	2.6
99.08090	4.2
103.05412	2.8
105.07027	71.7
107.04936	16.7
107.08578	34.1
109.06502	9.3
109.10155	20.5
111.08054	4.1
115.05446	3.0
117.07018	28.4
119.08579	75.1
121.06460	3.3
121.10128	46.0
123.08049	8.2
123.11702	6.1
124.99997	4.4
125.09625	3.8
128.06200	8.0
128.98569	3.0
129.07005	28.3
131.08560	54.9
133.06505	4.6
133.10132	49.5
135.08041	10.5
135.11699	13.6
137.09598	8.7
141.06978	4.8
143.07021	13.1
143.08531	28.3
145.06419	3.2
145.10124	32.1
147.08000	12.2
147.11679	28.0
149.09572	17.0
149.13217	5.2
151.07550	4.7
151.11159	7.0
153.09053	3.4
155.08527	6.2
156.09427	3.5
157.10121	26.3
159.08031	5.7
159.11688	20.1
160.12018	3.4
161.08185	3.9
161.09612	6.5
161.10924	3.1
161.13216	18.1
165.09053	4.7
167.08527	2.7
169.10089	5.7
171.11662	19.4
173.09564	3.9
173.13234	12.1
175.11200	5.5
175.14828	8.2
177.09132	4.0
181.10182	3.6
181.69431	2.9
183.11673	7.0
184.07336	15.8
185.09752	3.1
185.13220	7.1
185.57822	2.6
187.14854	8.2
189.16359	9.2
195.10052	3.1
195.11766	4.4
197.13249	6.2
199.09633	11.1
199.14818	14.9
201.12653	3.1
201.16402	5.3
209.13121	5.6
213.16451	13.1
217.15945	12.6
225.16466	3.2
227.14304	6.1
231.17458	8.7
239.17897	3.6
241.19554	14.7
245.15385	8.7
253.14220	3.6
259.20612	24.0
263.16470	5.0
275.19989	3.7
283.17145	3.1
305.21140	5.1
307.22583	5.4
315.23129	5.5
321.20435	3.7
333.24243	30.1
335.25739	7.2
337.20050	24.7
353.19504	4.4
365.23114	4.4
497.32095	6.0
515.33508	12.6
577.38745	7.8
595.39856	40.8
596.39368	5.3
613.40747	12.0
615.70483	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.6
57.07078	4.2
61.02917	16.7
67.05497	13.6
69.03419	2.7
69.07060	14.6
70.40844	2.7
71.01359	0.8
71.08620	1.6
73.02911	7.7
77.03904	0.6
79.05486	7.5
81.03410	2.9
81.07048	34.0
82.89345	0.7
83.08614	8.1
85.02897	33.9
91.03945	20.4
91.04369	0.6
91.05457	7.5
93.07036	23.2
95.01320	9.5
95.04957	1.6
95.08598	61.8
96.08917	0.6
97.02882	16.8
97.06469	0.8
97.10160	5.6
99.00816	1.0
99.04427	0.9
101.02367	0.9
103.03917	2.1
105.07015	13.3
107.04958	0.8
107.08580	37.6
109.02850	0.9
109.06530	1.3
109.10145	36.6
110.10478	0.8
111.08091	0.9
111.11700	1.7
113.02373	1.8
115.03959	1.4
117.07017	1.5
119.08566	22.7
121.06569	0.7
121.10133	32.3
123.11695	20.9
123.12606	0.7
125.05962	0.7
125.09570	1.0
127.03896	14.8
131.03389	1.3
131.08543	5.4
133.10112	22.1
135.08064	0.9
135.11674	27.6
136.12009	0.8
137.13248	12.9
141.01811	42.9
143.08566	1.1
145.04944	21.7
145.06068	1.2
145.10103	9.4
147.11667	15.0
149.09616	0.9
149.13251	30.6
151.14801	1.4
153.09088	2.5
157.10086	1.4
159.02890	12.9
159.11670	5.8
161.13257	12.6
163.06010	39.9
163.14806	8.4
164.06319	0.7
165.16356	0.8
167.10712	1.8
171.11630	1.2
173.11771	1.0
173.13219	5.7
175.14810	10.2
177.03911	3.8
177.16393	7.1
179.10660	1.6
179.17944	2.8
185.13217	1.2
187.14777	5.6
189.16370	35.7
191.17934	60.3
192.18231	1.2
193.12328	1.3
193.19440	0.9
199.13251	0.8
199.14848	1.9
201.11215	1.3
201.16368	44.0
202.16737	0.8
203.17938	47.5
204.18292	0.8
205.19499	40.6
207.17477	1.9
213.16373	3.0
215.17932	18.1
217.19493	11.3
219.13670	0.9
219.17426	1.6
219.21120	1.3
221.15375	2.0
221.19020	1.8
223.17026	0.9
227.18004	2.1
229.14236	1.1
229.19572	2.2
231.17395	1.3
231.20984	3.5
235.16901	8.1
241.19548	2.8
243.21049	5.6
245.22549	4.0
247.16901	27.6
249.18486	8.4
255.21039	2.7
257.22656	3.0
259.16959	1.1
261.18478	9.7
269.22656	1.9
273.13257	0.9
273.18500	0.9
275.20056	0.8
285.05908	1.1
287.20065	0.9
289.21722	4.0
301.21646	1.3
315.23184	1.7
321.08212	2.1
339.09232	1.2
355.26187	0.8
393.35141	15.6
395.36606	0.6
411.36069	1.1
421.34369	1.0
439.35696	100.0
440.36035	3.9
568.33160	0.7
624.02344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92135	0.3
57.95497	0.4
69.03426	0.5
71.73470	0.5
85.02856	0.6
97.02874	1.0
109.02878	0.5
109.84746	0.4
119.01928	1.0
120.95391	0.7
131.01909	0.6
138.96425	1.0
143.01819	0.8
156.97452	3.1
161.02966	0.8
173.02946	2.0
174.98508	5.5
180.97411	7.2
180.98761	0.5
182.98907	0.5
185.02971	2.6
194.99002	0.8
197.02986	0.6
198.98517	100.0
199.98666	1.7
201.00116	0.6
203.03963	0.5
210.98508	2.6
213.00066	1.7
213.80104	0.4
215.04059	0.7
216.99579	40.7
217.99881	0.7
222.00117	5.2
222.98499	1.4
225.00081	1.1
228.99606	8.2
231.01210	0.5
234.98477	3.3
240.01215	1.5
240.99571	13.0
243.01180	0.6
245.05093	5.0
247.00789	1.9
252.01059	0.9
252.99646	2.5
259.00647	9.1
264.99588	0.5
271.00293	0.9
277.01706	2.1
282.02176	1.0
283.00629	7.2
301.01645	25.9
302.01898	0.6
319.02771	6.4
342.04327	1.6
343.02344	1.0
361.03000	0.6
373.03641	0.9
403.04135	0.7
463.06952	51.9
464.07101	1.4
481.07974	2.2
504.09543	1.1
523.08124	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	15.5
57.07061	5.3
65.03922	5.5
67.05494	70.3
69.03411	6.2
69.07055	38.8
69.41501	18.6
69.41926	18.2
71.04985	7.2
79.05490	81.9
81.03392	13.8
81.07053	70.0
83.04971	17.2
83.08622	15.9
85.02905	3.4
85.06543	8.2
86.09704	6.1
91.05466	100.0
93.07030	74.2
95.04935	20.5
95.08595	46.8
97.02886	15.2
97.06502	10.1
97.10168	25.0
99.08078	4.7
103.05461	4.1
105.07022	86.8
105.20906	3.3
107.04949	12.2
107.08587	44.8
109.06528	7.8
109.10157	22.4
111.08028	6.3
115.05411	4.6
117.07001	36.5
119.08569	70.5
121.06503	4.1
121.10126	35.2
123.08047	8.8
123.11681	4.6
125.06008	3.3
125.09629	17.5
128.06168	8.7
129.05463	4.9
129.06978	33.8
131.08540	41.3
133.06453	8.1
133.10112	78.8
135.08022	12.4
135.11668	21.4
137.09552	10.8
141.06955	5.6
142.07779	4.9
143.08571	23.7
145.10107	40.6
147.08078	5.4
147.11662	61.7
149.09631	15.6
149.13228	3.8
155.08531	7.8
157.10114	27.3
159.07994	5.1
159.11690	20.6
161.09673	6.0
161.13231	6.0
163.11147	7.3
167.08621	4.2
169.10115	9.0
171.11662	33.9
173.13228	10.2
175.11205	6.7
183.11667	9.4
184.07312	15.0
185.13248	13.7
187.11093	4.4
187.14803	13.8
189.11194	11.4
189.16382	12.8
197.13269	5.5
199.09651	3.8
199.14946	3.6
201.16354	5.4
203.17892	16.4
211.14862	3.7
213.16351	54.4
215.18037	6.0
223.13158	20.0
227.12764	10.0
229.15923	7.7
231.17403	75.8
232.17654	4.5
233.19110	3.6
238.16589	3.2
239.17989	5.0
249.41956	3.6
273.18512	12.2
287.19913	4.8
289.17917	10.5
291.19479	93.7
305.21100	45.6
307.22656	17.0
349.23941	6.9
351.26657	5.7
365.23175	49.8
381.22522	5.9
405.27820	3.3
497.32574	10.9
515.33417	11.9
577.38440	5.2
582.57520	3.9
595.39996	47.4
613.40723	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.475
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68370	0.8
57.03421	1.6
57.07076	1.7
61.02917	4.1
67.05502	7.6
69.03419	3.8
69.07049	4.2
71.05003	1.4
71.76038	1.2
73.02907	3.6
79.05487	6.1
81.03419	2.0
81.07032	4.1
83.04979	1.1
83.08581	1.1
85.02917	4.7
91.03944	2.3
91.05460	9.1
93.07032	6.4
95.04945	2.0
95.08607	3.6
97.02886	4.0
97.10165	1.0
101.02411	2.0
105.06990	5.6
107.08575	4.7
109.10164	1.7
117.07043	2.1
119.08591	2.8
121.10143	2.4
127.03995	1.5
129.05415	1.2
129.06993	1.7
133.10072	5.2
135.11739	2.5
145.10144	2.0
147.11719	2.3
159.11702	1.3
161.09589	0.8
171.11708	1.4
184.07430	1.8
185.04286	1.2
243.08434	2.7
248.50893	1.0
299.14923	1.0
301.09088	1.9
313.27701	1.1
315.10492	1.1
407.71820	0.9
481.97562	1.0
507.25702	9.5
535.28699	4.7
554.46936	0.9
579.27985	1.2
607.30847	1.5
663.36639	1.0
801.47522	100.0
802.47754	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.5
62.39299	0.3
63.02382	0.8
69.03425	1.3
69.68810	0.3
70.06583	1.4
71.04981	0.4
71.27947	0.8
78.04713	0.4
80.63692	0.3
81.03411	4.4
84.04507	0.4
85.02906	1.9
86.09702	0.9
89.03905	7.7
91.05470	0.6
97.02901	0.4
99.04442	0.3
100.72891	0.3
103.05489	0.4
106.04082	0.3
109.02887	1.7
117.03364	20.6
118.03728	0.4
127.03916	0.7
131.04982	0.4
134.03615	1.9
135.04445	1.6
145.02831	51.1
146.03172	0.9
146.54030	0.3
149.04829	0.6
149.05962	7.8
151.03885	1.6
158.06036	0.5
163.03909	1.0
165.01828	1.0
167.03394	0.7
170.05696	0.4
175.03880	0.4
177.05447	100.0
178.05795	2.2
183.02841	0.9
186.05460	2.4
195.02991	0.8
195.06470	1.0
200.66174	0.3
211.09537	0.4
213.12328	0.3
242.36092	0.4
270.05292	0.6
271.05942	1.1
279.08682	0.6
282.05096	1.2
286.04800	0.8
296.06750	2.4
297.07458	1.2
298.04712	4.3
299.05478	0.4
300.06329	2.3
301.06985	3.3
302.07440	0.4
310.04608	2.3
310.08160	0.7
311.05676	0.4
311.09061	1.4
312.06342	0.3
313.07022	26.9
314.07718	3.4
321.09677	5.8
324.06219	3.8
325.07028	3.5
325.10602	0.4
327.08566	0.8
328.05753	6.7
335.09369	0.4
336.06128	0.6
337.06998	0.7
338.07883	2.1
339.08224	2.9
339.10791	3.4
343.08078	39.1
344.08267	1.2
348.06052	0.5
352.05661	0.4
353.06351	0.5
353.10220	4.4
363.08493	0.7
364.05600	0.6
367.08081	14.3
368.08530	0.6
376.05435	0.5
379.08054	2.8
380.08826	0.5
381.09393	0.7
391.08072	2.9
394.06805	0.7
397.04321	0.5
397.09137	7.8
409.09152	6.9
410.09186	0.4
427.10165	7.2
428.10019	0.4
445.11240	15.6
446.11514	0.6
463.12317	15.3
464.12561	0.7
493.01001	0.3
625.17706	0.6
638.13354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.2
57.03432	0.3
59.04109	0.2
63.02380	0.7
69.03420	0.9
70.06577	0.7
71.04986	0.4
71.74782	0.3
72.08137	0.4
78.04704	0.5
79.05475	0.2
81.03410	3.6
84.04500	0.2
84.08127	0.5
85.02882	0.8
86.09689	0.3
86.51348	0.2
89.03903	7.8
91.05482	0.6
91.63072	0.2
93.07068	0.3
95.04958	0.2
97.02878	0.4
97.06494	0.4
99.04444	0.5
106.04160	0.3
109.02850	1.3
117.03358	19.0
118.03710	0.4
119.04955	0.3
119.08595	0.2
121.06433	0.2
121.10149	0.2
124.05244	0.3
127.03920	0.7
131.08459	0.2
134.03625	1.6
135.04427	1.6
137.06041	0.4
145.02823	51.7
146.03186	1.0
149.05956	7.3
151.03879	0.7
158.05983	0.6
161.02261	0.2
162.03094	0.3
163.03883	1.0
165.01799	1.5
167.03366	0.2
175.03819	0.2
177.05440	100.0
178.05801	2.5
179.03357	0.3
183.02873	1.2
186.05479	2.4
195.02814	0.3
195.06529	1.0
205.04895	0.3
239.06766	0.3
258.05066	0.2
261.03876	0.3
270.05167	0.5
282.05087	0.6
284.06827	0.4
286.04764	1.3
294.05219	1.2
296.06747	1.5
297.07455	0.6
298.04694	4.2
299.05295	0.3
300.06152	0.7
301.06992	3.4
302.17068	0.2
309.07523	0.6
310.04633	1.6
310.08246	1.0
311.05554	0.4
311.08994	1.4
312.02777	0.3
312.06250	2.1
313.07016	19.0
314.07599	2.1
321.09653	5.2
322.04703	1.4
324.06250	1.9
325.06989	3.3
325.10715	0.3
326.04199	0.3
327.04913	0.4
327.08499	3.2
328.05704	2.2
329.06165	0.5
335.09293	0.3
337.06995	5.1
338.03998	0.7
338.07712	2.4
339.08252	2.2
339.10751	3.2
341.06528	1.0
341.09940	0.4
342.06985	0.4
343.04080	0.4
343.08084	7.2
348.06183	0.5
352.05658	0.3
353.06317	1.8
353.10092	4.0
355.07965	0.9
363.08475	1.1
365.06512	1.2
366.07227	1.2
367.08029	2.6
376.05579	0.4
381.09631	4.2
383.07660	1.2
391.08160	1.0
394.06808	2.2
399.10501	0.8
409.09125	23.3
410.09262	1.0
427.10193	19.6
428.10480	0.9
445.11224	18.5
446.11694	0.9
463.12250	1.1
621.16101	0.2
690.75159	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	0.8
69.07067	6.0
70.06583	100.0
71.06908	0.6
71.75098	0.5
71.75505	0.7
72.52575	0.5
79.05502	0.9
81.07053	1.3
86.09698	14.4
91.05512	0.7
93.07025	0.8
95.08622	0.6
97.06522	1.5
98.06039	1.1
98.09657	0.7
102.90659	0.5
103.51064	0.5
105.07019	1.1
116.07092	4.4
120.07239	0.4
120.08086	10.3
124.99978	0.7
126.30692	0.5
128.04503	0.5
138.12738	4.8
154.15883	2.8
172.11224	1.1
182.15421	0.6
183.14952	0.5
184.07274	2.7
184.13335	2.1
188.14381	1.2
196.13327	1.3
211.14473	0.6
211.18053	0.9
212.12781	3.2
213.12405	0.7
217.13342	30.5
218.11864	0.7
218.13719	0.8
229.15547	3.0
233.16612	0.8
245.12840	18.2
285.19595	2.5
297.21704	8.7
307.20114	4.1
313.19131	0.7
317.16086	0.5
325.21222	3.5
342.24146	0.8
358.21194	21.6
365.28329	0.5
394.27188	1.4
400.51035	0.5
410.30121	3.8
438.29776	2.0
443.30124	6.0
471.29666	14.9
472.28802	0.8
473.27579	1.0
506.36020	1.1
539.35956	2.1
541.33514	1.3
569.33228	1.8
585.35980	0.6
586.36200	3.1
654.42029	2.6
682.41528	7.7
767.50549	6.0
795.50342	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05010	0.7
58.06588	0.6
59.53473	0.4
60.08158	5.6
71.07373	3.3
71.75420	0.5
82.34087	0.3
86.09695	28.4
98.98450	2.9
104.10727	2.7
124.99991	18.8
143.00963	0.5
184.07323	100.0
185.07550	0.7
186.38615	0.4
205.50320	0.4
272.82123	0.5
324.56998	0.4
369.91678	0.4
493.94501	0.4
771.14856	0.4
796.54688	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03161	1.0
57.03430	16.2
57.07070	20.5
58.66681	0.6
61.02920	54.3
67.05500	7.8
69.03423	21.7
69.07064	5.1
71.01331	1.8
71.04974	2.7
71.08239	1.1
71.08626	18.3
71.75222	1.5
73.02908	17.3
75.04475	1.5
79.05486	2.0
81.03409	18.6
81.07048	9.3
83.04964	2.4
83.08614	7.4
85.02895	79.3
85.06538	0.8
85.10171	10.1
86.09654	0.8
87.04458	3.0
89.06034	1.2
91.03947	39.0
91.05457	1.8
93.07017	2.3
93.07999	0.7
95.04964	0.9
95.08588	12.3
97.02882	57.3
97.06470	0.7
97.10156	3.1
99.04443	10.9
100.29521	0.7
101.02368	5.0
103.03936	10.8
107.04964	0.9
109.02856	10.1
109.10143	6.2
111.04421	1.6
111.11674	1.2
115.03912	7.6
117.05489	1.7
117.07004	1.2
123.11707	2.2
125.02274	0.7
125.13247	1.0
127.03901	37.2
129.05443	4.1
135.08011	1.9
137.13203	1.2
141.62102	0.7
145.04941	25.5
159.06496	2.4
163.06009	15.3
163.07425	0.7
165.05457	0.8
168.04358	0.8
171.06567	2.0
183.06496	13.1
184.07306	4.8
201.07538	11.4
211.35611	0.7
212.13058	0.8
219.08601	2.6
227.19986	1.0
239.23700	15.4
257.24695	3.6
289.31876	0.8
298.27182	0.7
299.52127	0.7
313.27328	100.0
314.27719	3.5
331.28351	2.9
341.26862	6.0
355.28354	6.1
363.15619	0.9
367.28403	1.9
383.27765	2.6
385.29443	1.8
397.29413	4.0
409.29733	0.9
421.29251	2.5
439.30347	4.7
457.31555	21.4
471.22803	0.9
475.32382	4.2
618.39563	1.0
619.39905	3.2
828.37970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	9.5
57.07062	2.4
58.56723	1.0
61.02921	1.4
63.58984	1.1
65.03931	2.0
66.03352	1.0
66.63242	1.1
67.05501	52.6
67.25166	1.0
69.03416	7.7
69.07059	29.6
69.45211	1.2
69.45515	11.8
71.04964	2.6
79.05484	55.3
81.03402	7.6
81.07047	41.5
81.07535	1.7
83.04970	4.5
83.08611	10.9
85.02883	2.4
85.06509	1.7
87.04433	2.0
91.05470	27.6
93.07033	49.7
95.01322	1.7
95.04962	12.6
95.08597	28.0
97.02882	9.9
97.06518	5.8
97.10165	12.4
99.08067	2.1
100.42112	1.0
105.07024	19.5
107.04957	6.2
107.08578	23.3
109.06489	3.4
109.10143	14.1
111.08064	2.2
116.06228	1.1
117.06992	9.6
119.04987	1.4
119.08578	16.4
121.06477	3.0
121.10137	22.2
123.08029	3.4
123.11707	4.0
125.09584	8.0
129.06998	3.7
131.08528	13.4
133.06467	2.3
133.10117	9.5
135.08044	3.4
135.11678	12.9
137.09598	3.2
143.08540	3.1
143.79199	1.4
145.10103	10.5
147.07999	5.9
147.11661	5.9
149.09622	1.8
149.13234	5.1
151.11195	2.0
157.10115	2.3
159.11671	6.5
161.09589	2.5
161.13255	1.6
163.11157	1.9
165.09099	1.3
168.36998	1.3
169.10051	1.3
171.11597	1.9
173.13249	3.9
175.11208	1.8
189.11203	3.8
205.12282	2.3
215.17955	9.6
223.13272	18.3
227.12816	1.4
233.18980	8.6
238.23888	1.1
249.14870	1.9
273.18445	11.5
274.38522	1.2
275.27130	1.2
289.21643	1.3
291.19504	100.0
292.19775	1.6
305.20825	1.3
307.22650	91.0
308.22906	2.8
337.19965	1.1
365.23206	46.0
366.23297	1.9
517.34888	4.0
597.41412	80.8
598.41608	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62171	2.8
57.03421	14.2
59.62391	3.3
65.03922	3.8
67.05495	76.8
69.03407	8.5
69.06681	4.8
69.07058	71.7
71.74966	5.9
75.20850	3.3
78.25083	3.4
79.05486	100.0
81.03419	4.9
81.06598	5.9
81.07045	72.8
83.04963	12.0
83.08620	7.6
91.05470	68.4
93.07035	78.1
95.04952	10.3
95.08591	59.9
97.02870	14.5
97.06509	14.9
105.07019	33.2
107.04922	14.3
107.08579	39.5
109.06491	6.4
109.10099	15.9
111.08065	4.2
114.90468	3.4
117.07011	11.8
119.08566	52.5
121.10132	66.7
123.08046	10.0
129.06995	19.2
131.08551	53.8
132.96817	3.6
133.06467	6.4
133.10109	30.6
135.08118	5.1
135.11667	14.3
137.09583	7.1
141.06993	4.2
143.06932	6.8
143.08566	16.1
145.10121	21.5
147.08046	19.5
147.11664	10.7
149.09637	17.7
157.10089	19.9
159.11673	13.9
161.09583	5.8
161.13219	5.1
163.14694	4.9
164.35930	3.6
165.09077	7.2
169.10028	4.4
173.13127	3.6
175.07680	5.1
177.09138	7.3
184.07317	12.0
189.16324	9.8
199.09579	7.5
199.14813	24.9
201.16296	3.0
201.37688	3.3
217.15814	16.5
227.14175	8.1
243.20992	5.8
245.15407	21.8
261.22125	6.7
263.16360	10.6
306.53436	3.8
335.25757	84.9
337.20068	47.8
504.83484	3.7
579.39197	4.2
597.41449	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83429	3.3
57.03431	8.0
57.07060	5.3
58.13328	3.9
67.05495	57.2
69.03408	4.6
69.07057	32.8
71.04988	6.4
79.05485	54.8
81.03412	13.1
81.07048	65.3
83.04978	5.5
83.08618	9.1
85.06536	7.7
86.09726	6.7
87.04451	31.0
91.05471	91.1
93.06495	5.1
93.07040	47.4
94.61018	4.0
95.01292	6.0
95.04962	13.3
95.08598	44.7
97.06518	16.8
99.08089	6.4
103.05492	3.7
105.07027	100.0
107.04955	17.1
107.08578	30.9
109.06512	4.8
109.10143	11.0
117.07028	27.5
119.08572	65.8
121.06533	6.2
121.10149	17.2
123.08062	4.5
129.05478	5.2
129.07021	18.3
131.08545	29.3
133.02193	4.2
133.10129	60.4
135.08083	5.7
135.11688	10.0
143.08556	13.2
145.10132	23.5
147.11655	41.4
149.09648	9.7
149.13235	6.7
157.10095	13.6
159.08000	5.2
159.11685	16.7
161.13269	8.5
163.11179	5.0
169.10118	4.8
171.11694	20.4
173.13261	9.3
175.11137	4.4
179.14320	9.2
184.07315	9.8
187.14775	4.7
187.75543	3.8
189.16409	8.6
203.17967	5.9
213.16380	38.5
231.17410	49.3
247.77725	5.0
275.20047	47.4
305.21127	55.0
349.23682	59.1
388.50769	4.4
579.40393	59.3
594.71277	4.7
597.41431	6.6
716.84235	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	18.2
57.11563	1.6
59.05001	13.9
60.08139	4.5
61.02917	3.6
65.03933	5.8
67.05496	67.2
69.03423	11.0
69.07058	37.4
69.76338	13.0
70.06565	2.4
71.04987	14.0
73.02899	2.6
79.05485	50.8
81.03410	100.0
81.07046	87.5
82.03724	2.0
83.04965	8.9
83.08614	9.6
85.02885	8.3
85.06549	3.3
85.89857	1.7
86.09695	13.1
87.04456	12.9
89.48535	1.8
91.03937	2.1
91.04908	3.7
91.05470	57.4
93.07038	41.8
95.04949	13.7
95.08594	26.5
97.02888	5.7
97.06528	14.6
97.10150	7.9
97.19804	1.7
99.04446	4.8
99.08089	3.6
103.05453	2.2
104.10736	2.5
105.04536	1.8
105.07020	27.3
107.04933	9.8
107.08569	24.4
109.02882	1.9
109.06518	8.1
109.09478	3.1
109.10150	30.4
111.04449	3.2
111.08068	4.2
115.05373	2.2
117.07003	14.4
119.04930	2.1
119.08569	31.0
121.06518	9.2
121.10123	12.5
123.04459	1.9
123.08054	6.7
123.11739	2.8
124.99975	9.2
125.09627	9.7
127.03930	2.6
127.07515	3.5
129.06985	7.4
131.08560	12.5
133.06508	2.9
133.10094	14.3
135.08040	18.0
135.11662	8.0
137.09567	17.7
143.06995	5.7
143.08549	5.1
145.06468	2.8
145.08604	4.4
145.10089	10.9
147.08006	9.0
147.11678	5.3
149.02385	1.6
149.09570	12.7
149.13263	2.9
151.11122	3.2
153.09045	3.8
157.10056	3.4
159.11687	8.1
161.09584	4.5
161.13231	2.6
163.07544	7.5
163.11160	8.0
165.09122	19.5
167.10710	2.8
169.10245	2.0
171.10173	2.3
171.11613	3.7
173.11742	8.5
173.13185	3.0
175.11238	2.4
179.10724	1.9
181.08609	3.5
181.10066	2.3
181.12230	1.6
183.11678	3.5
184.07332	42.9
184.08887	3.0
185.13367	2.0
189.11301	2.1
191.10724	2.1
197.13266	2.4
199.09598	4.2
201.11209	18.7
201.12816	2.4
201.16289	2.3
209.11624	3.1
223.13228	2.2
227.12788	7.3
229.14264	22.0
229.16006	2.0
239.12746	44.8
239.17932	1.8
247.16895	2.9
255.12193	2.7
262.63507	1.8
265.22031	1.6
267.15784	3.1
269.17456	6.8
273.13272	3.4
273.18536	3.0
275.20172	10.4
283.15381	4.6
287.15015	2.3
291.19598	3.5
301.16718	2.2
321.20505	2.1
349.23654	7.6
357.20502	1.8
362.94138	1.9
381.22534	3.5
393.22736	13.2
395.24179	9.0
407.24661	3.2
409.22000	2.9
419.24203	6.9
436.65161	1.7
475.30630	4.8
513.32074	19.1
531.33179	4.3
754.79279	1.9
795.39398	2.3
827.07886	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04686	1.6
57.03436	20.7
59.04972	1.8
61.02922	80.7
67.05502	30.1
69.03423	22.9
69.07046	6.8
70.06574	1.7
70.27904	6.5
71.01336	4.7
71.04989	7.0
73.02917	19.6
74.36532	1.6
75.04491	1.7
79.05485	31.8
81.03409	25.7
81.07051	26.2
82.07386	1.5
83.04967	3.5
85.02899	100.0
85.06516	1.4
86.03205	1.6
87.04456	2.5
91.03951	54.1
91.05465	19.0
93.07035	29.8
95.04958	5.3
95.08603	18.8
97.02883	77.4
97.06526	3.0
97.10163	2.2
98.21404	1.8
99.04453	11.3
99.08088	1.8
101.02375	4.8
103.03950	15.2
105.04495	1.7
105.07017	12.3
107.04947	1.9
107.08581	16.0
109.02865	13.6
109.06501	5.2
109.10154	7.8
111.04393	2.7
111.08102	2.2
115.03897	8.2
117.05429	2.0
117.07000	6.2
119.08582	10.8
121.10139	17.2
123.11676	4.4
125.09625	2.7
127.03904	36.7
129.05487	5.1
129.07014	2.7
131.08565	10.7
133.10121	11.9
135.11673	13.7
137.09592	2.3
143.08545	2.2
145.04950	29.6
145.10071	8.2
147.11687	6.6
149.09547	2.3
149.13211	7.7
151.11165	3.4
157.10167	3.5
159.06525	1.7
159.11679	7.4
161.13266	2.7
163.05995	18.7
163.11258	3.7
171.11690	2.9
173.13239	4.9
175.14819	1.9
181.12305	1.7
183.06506	9.4
184.07332	3.3
186.98749	1.6
187.14809	2.6
201.07506	7.7
213.16310	2.0
215.17958	16.3
219.08592	2.1
231.17558	2.7
233.19020	16.1
240.53642	1.7
243.13780	1.6
245.19044	1.4
257.18829	1.7
275.19876	1.8
307.22668	47.0
308.22952	2.5
335.22122	4.7
341.20990	2.6
349.23981	2.4
391.24814	2.7
415.24808	4.0
433.25864	3.2
451.26987	7.5
469.28061	4.4
691.99072	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
55.05506	20.4
57.03432	13.6
57.07065	4.9
61.02937	2.1
65.03922	4.1
67.05499	75.5
69.07053	20.5
71.04983	2.9
71.08635	1.5
71.74707	1.8
79.05024	1.6
79.05488	45.4
81.07047	76.7
81.07533	3.7
82.07403	1.9
83.05006	2.0
83.08607	9.1
85.02914	2.5
85.06540	1.5
87.21127	1.3
91.05475	26.0
93.07034	56.8
95.04967	5.6
95.07991	3.0
95.08595	60.5
97.02871	2.4
97.06519	3.9
97.10155	5.2
99.08103	2.4
102.56676	1.6
105.07025	23.8
105.23774	1.5
107.08577	31.0
109.06464	1.8
109.10140	27.5
111.08036	2.1
117.06996	8.3
119.08574	21.4
121.10136	26.6
123.11678	8.0
124.13322	1.4
129.06969	1.9
131.08566	18.5
133.10124	15.0
135.11679	19.1
137.09605	1.8
137.13242	2.5
143.08527	2.3
145.10123	12.1
147.11681	14.0
149.09454	1.3
149.13245	12.2
154.68947	1.4
159.11678	11.2
161.13184	8.4
163.14838	6.6
165.02165	1.4
173.13295	9.9
175.14848	3.1
177.16319	2.2
185.13206	3.1
187.14824	4.0
191.88969	1.5
201.16420	2.6
222.54143	1.5
224.37849	1.5
241.19519	4.0
243.21065	4.2
259.20618	7.2
261.22131	19.2
263.23727	1.6
317.24747	3.9
333.24249	4.6
335.25772	100.0
336.26031	3.4
337.27332	9.8
360.66180	1.4
438.51999	1.5
521.43317	2.2
595.47211	13.7
613.48010	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
71.36026	2.6
71.36357	4.4
85.81657	2.2
139.85400	2.3
228.29955	2.5
658.31848	2.5
785.45953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48787	0.2
56.05028	0.8
57.07079	0.2
58.06356	0.2
58.06599	0.3
59.16598	0.1
60.08157	7.4
67.05482	0.3
69.07055	0.2
71.07364	4.7
71.15022	0.2
71.15359	0.3
79.05442	0.2
86.09696	34.8
87.10010	0.2
93.07025	0.2
98.20914	0.2
98.98450	4.1
98.99071	0.3
104.10728	3.2
114.06640	0.2
124.92468	0.1
124.99988	25.1
142.99101	0.1
143.01015	0.6
154.82887	0.2
156.17345	0.2
166.02597	0.2
184.07324	100.0
185.07695	0.6
201.63823	0.2
207.38477	0.2
403.20404	0.1
468.06955	0.2
496.34058	0.3
542.80908	0.2
634.95789	0.2
690.46967	1.1
772.54822	0.9
790.40979	0.2
790.55548	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2275
Annotation	6''-Feruloylspinosin
Peak:m/z	Relative Intensity
57.03425	0.3
63.02367	0.6
65.03938	0.2
67.05470	0.6
68.99779	0.3
69.03421	4.4
69.07053	0.3
69.98584	0.5
69.99010	1.0
70.06588	0.4
71.04993	0.4
71.96267	0.2
73.02980	0.2
78.04697	0.4
79.05479	0.7
79.68140	0.2
81.03407	5.1
83.04978	0.3
85.02879	1.5
86.09696	0.3
89.03903	9.0
91.05460	1.0
93.07029	0.4
95.04939	0.6
97.02880	0.4
97.06516	0.3
99.04447	0.6
103.05432	0.3
106.04152	0.3
109.02850	1.6
111.04420	0.6
117.03364	21.3
118.03676	0.5
119.08553	0.5
123.04350	0.3
126.01500	0.3
127.03869	0.4
127.80127	0.2
129.07005	0.2
131.04884	0.2
134.03618	1.1
135.04414	2.2
137.05933	0.4
141.50250	0.2
145.02826	52.2
146.03151	1.5
147.03340	0.3
147.04472	0.2
149.02261	0.3
149.05957	8.0
150.06241	0.3
151.03860	2.1
158.06039	0.4
163.03902	1.6
163.07579	0.2
165.01834	1.0
167.03392	0.8
175.03868	0.7
177.05444	100.0
178.05794	4.3
179.05939	0.7
183.02873	1.1
186.05502	1.9
191.03340	0.3
193.04976	0.5
195.02902	0.7
195.06526	0.9
198.13972	0.2
201.05505	0.5
217.04933	0.6
243.06470	0.4
268.07144	0.3
270.05075	0.3
271.05969	0.6
282.05161	1.2
284.06384	0.3
286.04761	0.9
294.05347	0.3
296.06754	4.1
297.07516	1.4
298.04636	3.0
299.05356	0.6
300.06259	1.7
301.07043	3.5
301.10376	0.3
308.06815	0.4
310.04764	1.4
311.09125	2.9
312.06125	1.1
313.07016	14.5
314.07706	2.5
315.07797	0.3
321.09671	5.1
322.08325	0.9
324.06223	6.0
325.06973	3.5
326.07639	0.7
327.08582	1.9
328.05737	5.6
328.09579	0.3
329.06149	0.3
336.06146	0.8
337.06833	0.8
337.10623	0.3
338.07858	0.6
339.08658	6.3
340.08664	0.5
341.10098	1.1
343.08072	25.3
344.08588	1.2
349.10773	0.6
350.07755	3.2
351.08517	1.7
352.05676	0.5
355.08014	0.8
360.06204	0.4
365.10168	4.1
367.08084	22.0
368.08383	1.0
369.09485	1.0
375.08426	0.4
378.07272	3.3
379.07639	0.3
381.09744	0.3
383.11319	0.4
393.09631	13.1
394.10318	0.5
409.08990	0.5
410.09579	0.4
411.10690	23.4
412.11014	0.9
429.11740	10.3
429.17670	0.5
430.12219	0.5
447.12799	29.9
448.13370	1.4
471.48468	0.2
499.33896	0.3
522.04095	0.2
609.18286	0.7
623.17517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
55.05523	0.2
57.03432	0.4
63.02378	0.6
63.23355	0.2
64.08072	0.2
65.03933	0.4
67.05511	0.7
69.03421	4.5
69.07072	0.3
69.98539	1.3
70.06628	0.2
75.54021	0.2
78.04721	0.3
79.05479	0.6
81.03407	5.3
81.07045	0.3
83.04968	0.4
85.02884	1.4
89.03902	9.4
90.04214	0.3
91.05472	1.2
93.07007	0.3
95.04960	0.5
97.02938	0.6
97.06544	0.4
99.04444	0.3
101.92536	0.2
103.05471	0.3
105.06978	0.3
109.02853	1.6
109.06499	0.3
111.04401	0.2
117.03363	20.1
118.03699	0.7
119.04910	0.3
119.08558	0.4
120.08031	0.3
121.06467	0.2
124.05198	0.3
127.03899	0.8
130.06445	0.3
134.03606	1.9
135.04419	2.3
145.02827	50.8
146.03140	1.8
147.04576	0.2
149.05948	8.6
151.03876	3.1
151.05013	0.3
158.05978	0.6
162.03104	0.3
163.03876	1.4
165.01802	0.9
167.03403	0.5
169.27577	0.2
173.05870	0.3
175.03888	0.6
177.05444	100.0
178.05785	4.5
179.06030	0.8
183.02890	1.2
183.04327	0.3
186.05475	2.7
191.03290	0.5
193.04832	0.4
193.12283	0.3
195.02939	0.5
195.06552	0.8
199.03809	0.4
201.05396	0.4
207.02745	0.3
217.04944	0.7
243.06467	0.4
245.04521	0.4
247.60022	0.2
254.05438	0.3
268.07254	0.4
270.05283	0.6
271.06015	0.5
282.05219	1.1
286.04645	0.7
296.06683	3.7
297.07498	1.6
298.04678	3.4
298.07944	0.4
299.05252	0.7
299.08725	0.2
300.06311	2.1
301.07114	3.3
301.10593	0.4
308.06906	0.4
309.07306	0.3
310.04651	1.9
311.05582	0.4
311.09009	2.1
311.12408	0.3
312.06256	0.5
313.07013	14.5
314.07712	2.6
315.07773	0.3
321.09692	6.1
321.13431	0.2
322.08426	0.9
324.02383	0.3
324.06204	5.7
325.07016	3.2
326.07568	0.6
327.08563	1.7
328.05716	5.3
328.08820	0.2
329.06033	0.3
332.06659	0.4
335.67139	0.2
336.06250	1.0
337.06982	0.7
338.07666	0.5
339.08630	6.9
340.08984	0.6
341.06454	0.3
341.10159	1.0
343.08078	28.6
344.08307	1.3
349.10602	0.5
350.07806	3.6
351.08585	2.0
352.05615	0.6
353.06363	0.6
355.07907	0.9
360.06039	0.3
365.10147	4.1
367.08087	21.3
368.08356	1.0
369.09781	1.1
378.07336	3.4
393.09634	12.8
394.09851	0.8
409.08844	0.3
410.09290	0.5
411.10675	25.3
412.10861	1.0
427.10358	0.5
428.10593	0.6
429.11758	10.1
430.12051	0.4
445.11383	0.4
446.11597	0.3
447.12799	26.4
448.13181	1.3
470.25797	0.3
609.17682	0.8
623.17255	0.5
785.22034	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	2.5
67.52428	2.0
69.07042	2.2
71.08614	2.4
71.19914	4.8
79.05450	2.5
79.29990	1.8
81.07084	2.2
84.21223	1.9
86.09698	6.9
95.08649	2.9
104.10741	2.4
112.46353	2.2
124.99986	6.4
170.37897	2.1
184.07321	28.2
184.08644	2.6
227.12680	2.3
233.78372	2.2
243.97949	2.3
255.96681	2.0
313.27496	3.9
336.83609	2.1
521.38666	6.0
781.50653	100.0
782.50525	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.05497	0.4
57.03430	0.3
61.02915	0.2
63.02366	0.5
67.05490	0.6
69.03437	1.6
69.07036	0.3
70.06581	0.9
71.04960	0.4
71.74254	0.3
72.08158	0.2
73.02916	0.3
78.04732	0.3
79.05476	0.6
81.03412	5.1
81.07054	0.5
83.08636	0.4
84.04498	0.3
85.02888	1.7
86.09681	0.3
89.03906	7.6
91.05475	1.6
93.07073	0.3
95.04970	0.6
97.02889	0.7
97.06494	0.4
99.04446	0.4
103.05438	0.5
105.06995	0.5
106.04153	0.5
109.02859	1.7
117.03367	21.7
119.04959	0.2
125.15295	0.2
127.03905	0.8
133.10135	0.2
134.03607	1.9
135.04395	1.8
136.06171	0.4
141.01834	0.3
145.02829	50.3
146.03149	0.6
147.04367	0.4
149.05965	7.4
151.03888	0.9
154.40096	0.2
157.10089	0.2
158.06004	0.6
163.03877	1.8
165.01787	1.4
175.11322	0.2
177.05449	100.0
178.05833	1.1
183.02859	1.4
186.05479	2.2
189.01866	0.2
195.06483	0.8
213.05380	0.3
230.72777	0.3
270.05151	0.5
281.04562	0.3
282.05157	0.5
284.06735	0.4
286.04706	1.0
294.05106	0.8
296.06790	1.1
297.07452	0.4
298.04712	3.4
300.06168	0.5
301.07101	2.4
309.07486	0.5
310.04681	1.5
310.08301	0.7
311.09003	1.2
312.06204	1.9
313.07034	16.3
314.07660	1.6
320.06595	0.4
321.09641	5.4
322.04520	1.4
323.05103	0.2
324.06308	1.7
325.07104	2.7
327.04904	0.4
327.08514	2.8
328.05737	1.5
337.07062	3.9
337.14014	0.4
338.04004	0.7
338.07788	2.2
339.08521	3.2
339.10934	1.5
341.06473	1.0
341.10287	0.4
342.07144	0.4
343.08090	6.3
348.06232	0.3
352.05524	0.3
353.06348	1.5
353.10129	3.2
355.07968	0.8
355.15347	0.7
363.08478	0.9
365.06342	1.3
366.07132	0.7
366.86066	0.2
367.08078	2.0
381.09628	4.5
383.07489	1.3
391.08017	0.6
394.06674	1.9
399.10455	0.8
409.09134	16.0
410.09363	0.6
427.10202	16.7
429.18991	0.3
445.11255	10.8
446.11496	0.3
531.12665	0.3
591.23877	0.3
621.24731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	26.3
57.03422	14.9
57.07067	13.3
65.03918	5.8
67.05492	66.2
69.07061	20.1
69.93911	19.8
69.94319	11.4
72.07269	5.2
79.01121	5.4
79.05482	73.7
81.07046	65.4
83.08622	8.9
85.06526	9.6
86.09687	14.2
91.05468	100.0
93.07025	55.1
95.04958	13.2
95.08599	45.1
97.06509	8.1
97.10184	5.2
105.07015	81.6
107.08584	29.1
109.10124	18.1
117.06974	26.4
119.08552	47.7
121.10145	27.4
123.11679	6.4
125.00007	11.9
129.06990	14.7
129.65863	5.2
131.08592	29.9
133.10101	72.1
135.11673	18.7
143.08519	16.9
145.10062	33.1
147.11685	45.2
149.09575	6.7
149.13243	5.6
157.10117	18.1
157.27275	5.9
159.11633	15.2
161.09790	8.5
161.13245	5.8
171.11703	35.7
173.13266	14.4
184.07300	35.4
187.14810	8.2
203.17879	12.4
213.16342	46.7
215.17979	6.5
231.17432	56.4
305.21085	21.1
335.25839	47.7
386.31631	5.2
467.37405	6.2
491.38431	8.4
509.54483	5.7
565.42145	8.5
583.43140	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
55.05497	0.3
57.03412	0.6
61.02907	0.7
69.03422	2.1
70.06580	0.6
71.74448	0.4
71.74831	0.4
79.05486	0.9
80.04994	0.4
81.03423	1.6
82.06566	0.5
84.08118	0.4
85.02881	3.7
87.04453	0.3
91.01305	0.3
91.05452	0.9
93.07027	0.9
94.06535	0.4
95.04968	0.6
95.08588	0.3
97.02885	1.8
97.06490	0.6
108.04470	0.4
108.08102	3.4
109.02824	0.4
110.09655	1.0
117.97056	0.3
120.08089	1.4
122.05931	0.4
122.09675	1.2
127.03909	0.7
136.07561	22.4
138.09129	0.5
148.07549	2.3
152.07092	0.6
153.01813	0.4
160.03925	0.9
161.04721	0.5
162.05522	0.7
163.03902	0.5
164.07047	8.7
166.08614	3.3
177.05360	0.4
178.04965	2.3
183.09190	0.4
185.07071	0.6
185.10637	0.6
197.10678	0.6
199.08632	1.0
201.06520	3.0
201.10260	0.7
210.09186	0.7
210.11185	0.6
211.08662	0.4
211.12212	0.4
213.06573	3.4
213.10152	2.2
215.11809	0.4
219.07629	0.5
223.08597	0.9
223.12296	0.4
224.09459	1.0
225.10181	0.6
225.13940	1.2
226.10907	0.4
227.08186	1.6
227.11813	0.9
227.15433	0.6
228.10280	0.6
229.09726	1.7
231.07637	2.0
237.10165	1.3
238.08694	0.5
239.11832	0.7
241.09726	3.2
241.13423	0.6
242.14142	0.7
243.11380	0.3
245.09285	0.4
251.08022	0.7
252.08852	0.5
253.13388	2.3
254.11813	0.7
255.07709	1.5
255.11198	2.4
255.14890	1.2
257.09219	1.5
257.12714	0.4
265.09741	0.9
269.09125	4.6
269.12268	0.4
269.12750	0.3
271.14450	0.7
273.08685	0.8
273.12924	0.5
273.15927	3.1
275.10251	0.4
281.12833	3.4
282.13385	0.5
283.10779	5.3
285.12500	0.4
287.05441	0.6
287.10172	1.1
293.09225	1.2
299.13864	4.6
301.11890	1.4
303.13327	2.7
311.10211	31.1
312.10654	0.6
317.06522	0.5
326.12344	0.5
329.11279	100.0
330.11591	2.3
339.08902	0.4
347.12408	0.6
383.11285	0.5
401.11908	0.5
422.20636	0.9
435.21252	0.6
438.14514	0.5
438.20175	6.5
450.20337	3.1
583.25037	1.2
601.26526	18.0
602.26624	1.1
763.04358	0.4
763.31909	2.2
768.73956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01636	1.1
55.01867	7.6
55.05499	14.6
57.03420	15.1
57.07076	1.9
61.02917	1.7
65.03942	2.5
67.05135	2.2
67.05495	39.8
69.03422	6.1
69.07055	22.2
71.01332	1.3
71.04995	6.9
71.14317	1.6
71.14635	1.8
73.02916	1.2
73.71188	1.1
77.03906	1.2
79.05011	1.8
79.05479	36.1
81.03403	100.0
81.07043	41.7
81.21016	1.2
83.04974	7.8
83.08615	10.7
83.26785	1.2
85.02883	5.1
85.06524	2.3
86.09706	2.1
91.05464	46.3
91.06036	2.3
93.06431	1.9
93.07027	35.2
95.04955	15.8
95.08591	20.1
97.02869	4.4
97.06509	9.0
97.10168	7.1
99.08048	1.8
105.07007	24.0
107.04951	9.3
107.08577	24.3
109.02855	1.2
109.06513	6.9
109.10130	13.1
111.04418	2.9
111.08064	3.4
115.05429	1.8
117.06990	11.8
119.04879	1.4
119.08555	33.4
121.06487	8.8
121.10137	11.4
123.04419	2.6
123.08043	7.2
124.99992	1.8
125.09632	8.1
127.03894	1.3
129.05516	2.3
129.06985	8.4
131.08560	14.3
133.06477	3.0
133.10097	11.1
135.08041	9.7
135.11688	5.5
137.09595	18.7
139.11182	2.0
141.06946	2.3
142.07819	1.3
143.07018	2.3
143.08566	7.2
145.06439	1.9
145.10085	9.4
147.08058	8.3
147.11656	8.2
149.09599	9.3
149.13254	2.7
151.07484	1.2
151.11156	1.9
153.09148	1.9
155.08556	2.5
157.10126	6.1
159.07961	1.8
159.11702	6.2
161.08177	1.1
161.09653	2.0
161.13287	1.5
163.07512	2.9
163.11157	4.3
165.09091	17.1
167.08505	1.6
167.10666	2.1
169.10114	5.1
171.07986	1.2
171.11688	4.8
173.09637	2.3
173.13181	2.1
175.11169	3.4
177.09143	2.3
181.10072	2.0
183.10240	1.6
183.11700	3.2
184.07314	6.4
187.11090	2.0
189.11255	2.4
189.12813	1.4
193.12167	5.0
195.11751	1.3
195.13675	1.5
197.13223	1.9
199.09671	2.3
201.11235	2.2
201.16402	1.4
203.14432	1.0
207.11705	1.4
211.11263	1.3
211.13112	1.7
211.14928	1.1
227.12714	6.1
229.14204	1.6
231.17473	1.6
233.15408	1.2
239.12750	50.6
241.14310	5.9
247.16907	2.3
247.20723	1.4
255.15892	2.0
257.19067	2.6
267.15903	10.2
269.17438	9.1
273.13351	1.5
273.18478	1.1
275.19992	10.9
283.15399	1.5
285.17093	2.3
291.19412	1.8
294.80444	1.1
295.20712	1.3
309.20844	1.2
313.21707	1.9
321.20569	2.4
331.22726	1.2
341.21075	3.5
349.23825	8.8
357.54623	1.1
367.24655	1.9
375.21542	1.5
377.23227	1.4
393.22864	2.6
397.23740	1.0
401.23102	1.2
403.26059	1.7
407.23889	2.1
409.21893	2.2
415.24731	6.6
419.24228	14.0
421.27008	2.4
431.23923	1.9
433.25815	43.7
439.28210	2.2
449.24878	1.3
451.26779	1.1
465.28424	7.3
473.29019	5.3
475.27460	1.3
513.24524	1.5
513.32104	29.5
514.32440	2.1
531.33057	9.1
563.35083	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	3.4
55.05493	12.7
57.03417	9.0
67.05171	4.1
67.05497	42.9
69.03410	4.0
69.07052	11.8
69.41156	2.5
69.80222	10.3
69.80624	8.3
79.05488	36.2
81.07042	41.4
83.04987	3.5
83.08601	7.0
85.06542	4.4
91.05466	31.8
93.07030	36.1
95.04953	6.8
95.08590	25.3
97.06477	5.4
105.07008	29.0
107.04958	3.3
107.08589	13.4
109.06486	4.2
109.07206	2.8
109.10104	8.9
117.06947	7.6
119.08557	18.4
121.10117	17.2
131.08549	17.9
133.10120	17.0
135.08072	3.0
135.11702	6.5
145.10051	10.2
147.11638	8.0
149.13213	3.6
159.11700	7.1
173.13179	3.5
179.14343	4.8
184.07372	3.7
196.87416	2.7
219.17426	50.2
275.20035	25.2
307.22644	87.8
308.22699	3.1
349.23721	17.9
413.00729	2.9
581.41949	100.0
582.41931	7.1
623.28253	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	8.0
55.05507	22.8
57.03419	13.9
64.40215	3.4
64.40536	3.6
65.03918	4.5
67.05498	44.8
69.03398	6.6
69.07052	26.2
70.41990	3.1
71.04964	8.4
79.05479	47.6
81.03409	100.0
81.07047	63.9
83.04966	9.8
83.08598	13.7
85.02894	8.9
85.06538	5.7
86.09708	6.0
91.05473	53.5
93.07036	50.1
95.04967	17.7
95.08601	28.9
95.69308	3.5
97.02858	7.1
97.06486	16.6
97.10162	11.7
105.07004	22.8
107.04948	7.5
107.08583	27.9
109.02815	4.1
109.06493	11.5
109.10138	18.3
111.08041	5.1
117.06999	18.2
119.08569	48.3
121.06474	7.8
121.10112	16.0
123.08057	12.0
123.11689	4.2
125.09604	12.5
128.06111	3.1
129.06976	8.5
131.08516	13.6
133.06410	6.4
133.10115	17.2
135.08041	13.6
135.11646	7.5
136.07471	3.4
137.09586	28.8
143.07063	5.3
143.08528	6.8
145.10115	17.7
147.08012	14.5
147.11688	12.0
149.09599	8.5
151.07513	5.5
157.10120	11.4
159.08058	5.2
159.11665	8.0
161.09563	9.6
161.13229	4.3
163.11252	4.3
165.09103	21.9
171.11652	6.8
173.11707	5.0
173.13202	3.9
175.11041	4.8
183.64226	3.0
184.07288	10.9
189.11107	5.0
193.12273	8.1
199.09607	5.5
201.11148	5.6
211.13239	4.4
225.11153	5.6
227.12735	8.7
229.14355	8.2
239.12738	54.3
267.15753	6.2
269.17453	11.8
273.13464	3.9
275.20056	18.4
283.15173	5.3
291.19498	5.6
332.26700	3.9
349.23642	11.2
393.22882	5.9
411.23651	3.8
415.24533	5.7
419.24188	14.2
433.25842	40.0
439.28305	3.7
465.28452	6.5
513.32178	42.0
531.33044	17.0
541.27209	4.0
555.31720	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35745	2.4
55.01857	9.2
55.05504	13.7
57.03430	28.9
57.07058	3.9
61.44761	2.6
65.03935	5.4
67.05130	5.3
67.05492	78.6
69.03423	5.8
69.07063	16.6
69.43713	8.9
69.44134	22.6
71.04974	8.9
79.05478	59.8
81.03380	5.9
81.07046	60.6
83.04982	7.9
83.08602	10.1
85.02885	5.2
85.06538	13.5
87.04475	3.3
91.05471	48.6
93.07030	58.8
95.04947	52.1
95.08596	38.4
97.02872	5.5
97.06516	12.9
97.10145	5.3
98.20652	4.9
99.08069	13.4
104.62981	2.9
105.06995	32.3
107.04936	12.8
107.08585	25.5
109.02831	3.1
109.05815	5.3
109.06498	61.9
109.10144	13.5
111.04485	3.3
111.08118	3.9
113.05993	21.9
115.07588	3.5
117.07002	18.7
119.08575	19.7
121.06507	9.0
121.10129	20.9
121.92117	2.8
123.08038	9.9
127.07528	5.6
129.06979	7.9
131.08557	27.4
133.06487	4.9
133.10106	10.2
135.08041	40.2
135.11664	17.3
137.09599	4.5
143.08572	7.1
145.10080	21.6
147.08055	9.3
147.11694	6.8
149.09631	9.2
149.13234	5.6
155.33107	2.6
157.10136	6.8
159.11678	8.6
161.09584	9.5
161.13263	3.8
163.11176	4.0
165.09105	4.0
171.11649	5.3
173.13289	4.1
175.11171	5.1
184.07335	4.2
185.13199	3.8
187.11212	3.6
189.16318	3.0
198.32919	3.3
199.14761	4.9
201.12730	3.5
215.17836	3.4
217.15764	6.9
245.15303	5.7
255.17355	2.8
263.16425	6.5
273.18463	32.4
291.19498	100.0
292.19812	3.5
307.22620	90.6
335.25708	9.4
337.19913	6.8
347.22174	9.9
350.58255	2.8
365.23282	14.9
369.20450	2.8
469.20221	2.8
470.95462	3.2
476.64441	3.6
579.40363	17.5
597.41431	65.6
598.41821	5.7
615.42102	6.0
777.43579	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.0
55.05502	25.7
57.03426	20.0
57.07072	1.7
59.04996	4.6
61.02908	4.6
65.03928	2.9
67.05493	87.4
69.03418	5.9
69.07058	15.3
71.04983	6.2
71.08623	3.2
71.33578	1.9
72.08159	2.2
73.02912	3.7
79.05480	35.2
81.03404	74.3
81.07040	39.8
83.04960	10.8
83.08598	10.8
85.02888	24.2
85.06520	2.4
86.09698	4.0
87.04449	6.3
91.03958	2.1
91.05463	89.7
92.05765	1.4
92.21611	1.4
93.07028	41.8
95.04944	15.1
95.08587	30.8
97.02869	8.9
97.06531	7.8
97.10164	11.7
99.08089	2.7
103.03922	2.6
105.04486	1.7
105.07010	20.8
107.04942	7.0
107.08578	16.8
109.06512	5.8
109.10142	60.8
111.04450	2.6
111.08083	4.0
115.05442	1.5
117.06993	11.8
119.08564	100.0
120.08926	1.7
121.06517	7.7
121.10124	11.5
123.08064	5.2
124.99998	2.2
125.09614	11.6
127.03912	2.3
129.05490	4.9
129.06956	8.2
131.08499	7.6
133.06548	1.9
133.10088	8.6
135.08063	4.6
135.11673	7.3
137.09587	47.5
143.06964	1.8
143.08514	1.9
143.10657	2.8
145.06454	1.3
145.10101	7.8
147.08009	14.0
147.11656	5.8
149.09607	5.6
151.11087	2.7
153.12720	3.0
155.10681	3.5
157.10110	5.3
159.11720	2.7
161.09659	1.4
161.13362	1.4
163.07446	1.6
163.11153	7.5
165.09090	49.2
171.11684	2.0
173.09618	3.7
173.11737	19.1
175.11221	3.0
181.12259	2.5
183.10149	21.4
184.07355	7.5
189.11140	1.3
191.10655	3.0
193.12276	5.1
199.11623	1.3
199.13240	7.3
201.11191	3.4
203.19701	1.3
209.11737	5.5
211.13257	2.2
213.16515	2.0
217.14229	2.4
227.12761	5.6
229.14301	54.7
231.17470	2.6
239.12715	20.1
241.14409	2.4
247.16957	2.5
253.14180	1.6
257.13800	52.5
262.62210	1.2
265.14444	2.0
267.15820	13.2
276.76974	1.3
283.15384	3.8
285.16968	2.7
301.16409	8.6
321.20465	1.3
381.22629	2.7
393.22507	10.9
399.23779	12.8
411.23724	33.3
431.43500	1.4
465.24518	1.6
483.25830	6.1
501.26782	1.6
513.31702	1.7
515.33588	4.0
531.32715	4.9
547.36145	1.9
581.33191	20.0
778.40179	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	4.9
57.07069	31.4
67.05492	2.9
69.07061	5.3
69.81099	2.2
71.08620	31.2
71.71587	3.0
73.06546	10.0
79.05523	3.9
81.07055	2.4
83.08606	5.7
85.10172	18.9
87.04452	12.3
89.06019	100.0
91.05426	2.0
97.10159	5.6
99.11660	2.1
107.07033	4.4
111.11711	4.8
117.09119	7.6
125.13243	2.8
127.14890	2.2
130.08627	4.3
131.06998	4.0
133.08588	52.7
161.11757	2.5
172.46555	1.6
177.11182	19.6
184.07329	4.0
221.13832	3.1
255.26633	2.4
299.29364	6.1
343.31839	3.4
543.64948	2.0
589.28516	2.1
687.41571	2.3
726.34229	2.2
757.55988	2.8
796.20520	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	12.4
55.05507	15.3
57.03424	11.4
61.02918	2.2
67.05499	54.1
69.03410	8.3
69.07059	20.2
71.04967	6.3
71.75135	2.8
77.03892	2.9
79.05485	44.5
81.03407	100.0
81.07047	72.5
82.07394	2.3
83.04960	12.8
83.08611	5.6
85.02899	4.1
85.06525	3.2
86.09692	6.1
90.76633	2.6
91.05468	62.7
91.97562	2.4
92.05781	3.1
93.07032	38.6
95.04952	15.3
95.08595	25.7
97.02873	6.6
97.06532	7.6
97.10168	2.9
99.04414	3.4
99.08047	3.2
102.73230	2.1
103.05453	3.6
105.07024	34.1
107.04939	10.0
107.08577	36.6
109.06522	9.5
109.10140	42.4
111.04428	2.4
111.08105	4.3
113.05956	2.5
117.06985	12.1
119.08567	29.7
121.06516	13.1
121.10121	7.9
123.08079	9.3
123.11684	7.6
125.09609	4.2
127.07533	3.1
129.07014	7.0
131.08571	7.7
133.06448	3.0
133.10124	42.4
135.08072	14.0
135.11681	10.4
137.09584	19.5
141.06914	2.6
143.08499	2.4
145.10094	9.6
147.08009	8.9
147.11726	5.5
147.80627	2.4
149.01154	3.1
149.09634	5.9
151.11177	16.7
159.11650	5.7
161.09575	5.4
163.07552	3.7
163.11177	9.0
165.09108	19.8
169.10030	2.5
169.12250	3.6
171.11702	6.5
175.11162	5.4
177.09160	3.2
181.12314	2.8
184.02097	2.4
184.07367	15.5
199.09641	4.5
201.11241	12.2
227.12761	12.7
229.14352	4.3
230.00656	2.4
239.12756	59.3
253.14343	72.7
253.17009	4.3
255.12201	5.7
258.15576	2.4
259.16937	9.1
263.19989	3.9
273.18472	12.5
283.15298	13.9
291.19479	13.5
347.22089	6.4
349.23157	2.4
365.23074	17.3
371.20514	6.5
409.22040	11.1
417.22809	11.2
435.23779	28.0
437.27081	3.8
511.30441	9.5
529.31506	54.1
535.63422	2.4
547.32404	3.8
579.31274	5.1
609.28577	2.8
777.40289	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.4
55.05508	16.2
57.03433	10.0
63.62326	1.3
67.05497	23.0
68.96925	1.3
69.03417	7.6
69.07066	23.1
71.04971	2.8
71.75233	2.0
79.05485	18.3
81.03412	100.0
81.06593	2.0
81.07047	21.9
83.04958	7.3
83.08617	6.7
85.02887	1.8
86.09684	2.6
87.00757	1.4
89.62347	1.3
91.05472	32.1
93.07047	22.2
95.04968	10.7
95.08607	12.1
96.08911	1.5
97.02887	10.0
97.06490	4.9
97.10167	9.9
105.07031	14.0
107.04955	7.8
107.08582	12.5
109.06506	3.3
109.10133	9.8
111.04454	2.2
111.08078	1.8
115.05440	1.6
117.07009	8.7
119.07729	1.9
119.08569	25.2
121.06513	6.6
121.10168	6.5
123.08067	5.7
125.09628	8.3
129.06967	6.7
131.08539	5.2
133.06462	2.9
133.10104	5.2
135.08041	7.5
135.08994	1.6
135.11658	2.9
137.09583	19.7
143.08517	3.3
145.10078	6.8
147.08051	12.5
147.11688	1.9
149.09656	3.3
149.13231	1.8
153.09155	1.5
157.10115	2.0
159.11632	3.0
161.09618	2.4
163.07547	1.4
163.11084	1.9
165.09113	19.1
171.11644	1.6
184.07370	3.4
189.11208	3.3
205.12233	2.9
211.13176	1.8
221.11896	1.6
223.13309	13.2
227.12747	5.2
239.12770	75.2
254.69852	1.3
255.12343	1.4
267.15912	1.8
273.18445	7.5
291.19519	59.1
315.19534	1.3
347.22168	2.4
365.23163	31.7
391.21024	1.9
409.21979	2.3
417.22607	3.4
431.24231	5.2
435.23514	1.9
437.26843	1.7
449.25360	3.1
511.30444	3.8
529.31573	97.0
530.31873	3.7
547.32385	2.0
571.32867	1.9
614.40546	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.0
55.05317	3.5
55.05508	42.7
57.03428	28.1
61.02914	5.9
65.03932	6.8
67.05183	6.5
67.05501	87.0
69.03420	22.8
69.07061	43.9
70.06569	4.9
71.04983	11.9
71.74588	4.1
79.05484	100.0
81.03408	96.6
81.06596	6.5
81.07046	95.9
83.04970	27.7
83.08607	46.5
85.02898	30.0
85.06535	4.2
86.09713	4.9
91.05472	98.7
93.07027	74.6
93.07577	6.1
94.07417	4.3
95.04946	36.8
95.08599	46.3
97.02870	12.9
97.06525	26.9
97.10154	18.0
97.10735	3.5
105.07022	71.9
107.04961	20.5
107.08579	41.5
109.02905	6.2
109.06487	17.6
109.10149	22.8
111.04445	5.6
111.08082	19.2
115.05495	4.6
117.07011	25.0
119.08566	56.2
121.06490	8.4
121.10121	27.8
123.08057	6.6
123.11694	6.9
125.09619	10.3
127.03876	7.2
129.07001	21.6
131.08554	38.8
133.06506	7.3
133.10114	38.8
135.08055	8.6
135.11656	12.9
137.09621	4.2
141.07019	5.7
142.07825	6.3
143.08528	7.9
145.06465	5.9
145.10117	21.4
147.08061	6.5
147.11633	28.2
149.09589	27.3
149.13237	6.6
151.11156	4.7
155.08557	8.5
157.10153	24.4
159.11653	13.4
161.13258	6.5
163.11169	13.6
169.10164	4.8
171.11681	11.6
173.13292	3.9
175.11133	16.9
184.07336	5.6
185.13344	4.4
193.12221	52.6
201.11256	7.9
211.13266	64.1
211.31384	4.3
222.56282	4.0
227.12779	17.4
245.13470	5.0
245.15718	4.2
247.16849	6.6
255.15923	4.7
257.18936	10.5
267.15967	27.5
269.17410	13.3
275.20007	37.3
281.17429	7.5
285.16937	65.0
313.22021	4.4
349.23645	38.6
414.97070	4.2
447.27203	22.3
461.28845	7.0
465.28360	8.7
479.29977	45.3
513.33099	4.5
541.35211	10.9
559.36371	37.9
576.94202	4.2
662.77948	4.1
669.89160	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.3
55.05268	1.6
55.05507	22.5
55.46516	1.2
57.03433	19.2
57.07058	2.4
61.02901	2.1
63.20222	1.1
65.03921	2.8
67.05501	69.2
67.29044	1.2
69.03413	4.1
69.06728	1.6
69.07066	15.9
69.47626	2.9
69.48037	10.2
71.04975	4.5
71.08614	1.3
72.60484	1.2
79.05487	46.1
80.05804	1.5
81.03411	100.0
81.07048	76.1
81.07483	1.0
82.07404	1.5
83.04969	7.6
83.08101	1.6
83.08610	22.9
85.02892	2.3
85.06540	2.2
86.09693	2.9
91.05475	41.5
93.07035	54.7
95.04391	2.2
95.04964	34.2
95.08599	48.2
97.02878	3.6
97.06516	4.9
97.10162	9.6
99.08090	2.1
105.07022	28.8
106.10960	1.5
107.04940	7.0
107.08582	27.9
109.06511	6.9
109.10144	18.9
111.04433	1.6
111.08096	6.9
115.05378	1.3
117.06999	8.8
119.08568	27.1
121.06498	5.3
121.10120	24.0
121.84767	1.2
123.04418	1.7
123.08051	3.4
123.11697	7.8
124.99984	1.8
125.09616	5.1
129.06999	11.9
131.08554	20.6
133.06474	3.7
133.10117	17.4
135.08052	2.2
135.11685	14.4
137.09599	4.5
137.13239	1.6
141.06952	1.9
142.07777	3.3
143.08479	2.2
145.10097	13.0
147.04266	1.4
147.08032	3.1
147.11678	15.8
149.09604	7.8
149.13225	8.1
151.11261	1.5
157.10124	13.7
159.11703	8.8
161.09718	1.3
161.13237	4.4
163.11119	2.2
163.14815	4.6
165.12782	2.0
171.11665	2.8
173.13246	7.3
175.11179	12.2
175.14751	2.8
177.16287	1.4
183.11728	1.5
184.07373	7.8
185.13237	2.0
187.14792	4.4
189.11166	3.6
189.12733	1.7
193.12218	29.2
199.14783	1.6
205.12135	1.7
211.13177	2.2
211.14932	1.5
227.12788	8.7
233.15363	1.6
235.13182	2.4
239.17932	1.5
243.21008	6.1
249.14783	3.9
259.13303	2.2
261.22122	21.0
267.15897	99.6
268.16241	2.1
279.23325	1.6
285.16953	3.8
301.14374	1.7
301.25235	7.2
309.16891	5.8
317.24771	4.4
329.20929	2.1
335.25787	91.5
336.26004	2.6
417.31152	1.9
435.27298	1.9
435.32581	5.4
453.33636	6.4
463.30701	1.6
471.34799	6.3
475.30182	1.5
527.37280	66.4
528.37427	2.6
545.38324	38.7
546.38477	1.5
559.39832	2.5
569.37817	3.6
635.38788	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	28.8
57.03433	10.1
57.07051	4.0
61.02908	16.4
65.03938	4.8
67.05497	77.1
67.73116	3.5
69.03402	10.9
69.07066	26.0
71.04969	6.9
73.02892	7.9
76.57301	3.3
79.05080	4.8
79.05490	67.5
80.34048	3.4
80.36871	3.7
81.03385	9.7
81.07047	81.0
82.74660	3.4
83.04968	3.8
83.08604	12.0
85.02904	17.2
85.06522	5.0
88.28085	3.7
91.03938	11.3
91.05473	68.5
93.07037	75.3
95.04960	9.4
95.08594	58.2
97.02871	16.0
97.06538	5.7
97.10149	6.2
98.21451	7.4
98.98479	4.5
101.02428	3.6
105.07021	52.7
107.08586	39.6
109.06519	8.5
109.10147	24.6
111.08026	4.0
117.07026	21.0
119.08562	48.2
121.10127	34.8
123.11687	8.6
127.03867	4.9
128.06238	7.1
129.06985	14.5
131.08562	40.0
133.10117	34.7
135.11684	27.0
142.07764	5.1
143.08568	19.8
145.10103	39.4
147.11655	32.7
147.86115	3.5
149.13216	13.8
155.08540	10.2
157.10101	18.9
159.11664	27.3
161.13248	26.0
167.08476	3.9
169.10104	8.7
171.11673	16.5
173.13246	19.5
175.14789	10.5
181.10095	5.6
183.11682	10.6
185.13261	19.3
187.14822	5.5
197.13226	12.9
199.14792	12.2
201.16344	5.7
211.14796	8.2
231.21001	5.2
241.19499	15.2
257.19043	5.7
259.20535	40.1
261.22122	8.2
275.20114	4.7
315.97910	3.4
333.24222	30.0
335.25833	56.2
336.26038	5.7
530.28027	3.9
593.45361	8.2
609.44739	7.6
611.46570	100.0
612.46893	7.4
773.52502	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.3
55.05505	10.2
57.03425	5.5
57.07071	1.5
58.00385	0.7
61.02921	14.2
65.03925	1.5
67.05495	22.2
69.03420	7.1
69.07066	8.6
69.58743	2.6
69.59172	3.6
71.01334	1.0
71.04979	2.0
72.50996	0.7
73.02910	6.9
73.06571	0.7
76.58716	0.7
79.05483	14.5
81.03399	3.5
81.07045	21.6
83.04957	1.9
83.08624	5.8
85.02898	14.6
91.03956	8.7
91.04506	1.3
91.05482	14.4
92.05748	0.7
93.07034	17.4
95.04963	2.5
95.08595	17.3
97.02883	11.7
97.06522	2.1
97.10171	2.2
99.04465	1.4
101.02366	1.8
103.93243	0.8
105.07022	13.2
107.08594	10.2
109.02882	1.8
109.06509	1.4
109.10133	8.8
115.03946	0.9
115.05464	1.0
117.07011	8.7
119.08564	12.8
121.10118	7.1
123.08074	1.1
123.11698	2.5
125.09608	1.1
127.03902	2.2
128.06238	2.6
129.06979	9.3
130.07782	0.8
131.08551	13.1
131.09447	1.2
133.10104	8.6
133.26926	0.7
135.11697	4.2
141.06961	3.2
142.07745	2.7
143.08554	13.1
144.09354	0.9
145.10092	10.0
146.09392	0.8
147.11690	5.4
149.09688	1.0
149.13307	2.0
153.06950	1.2
154.07700	1.3
155.08539	9.5
156.09294	1.3
157.10112	12.9
159.11671	8.4
161.09529	0.8
161.13264	2.9
165.06985	1.1
166.07857	0.8
167.08583	6.1
168.09280	1.2
168.24133	0.9
169.10106	12.7
171.11656	9.3
173.13234	4.6
175.14799	2.0
179.08549	2.1
180.09390	0.9
181.10106	6.2
182.10925	1.7
182.72351	0.7
183.11662	11.7
185.09705	1.1
185.13263	7.9
187.14844	2.4
189.16324	0.8
193.10165	3.1
194.10800	1.4
195.11641	7.0
196.12463	0.7
197.13246	9.2
199.14781	5.1
201.16412	1.8
205.10045	0.8
206.11150	0.8
207.11679	2.6
209.13245	6.4
211.14719	5.0
213.16406	3.5
217.19640	0.8
221.13260	2.4
223.14761	5.0
225.16394	4.7
227.18001	1.9
235.14822	1.4
237.16402	2.9
239.18010	2.1
241.19542	1.0
247.14816	1.3
249.16440	1.1
251.17899	2.1
253.19580	1.4
257.19077	1.1
263.18069	0.9
311.23776	0.9
315.23279	1.0
321.22202	1.1
323.23672	1.0
335.23941	1.0
337.25104	1.0
339.23135	1.8
339.26862	0.9
347.23642	1.2
349.25381	1.4
351.22946	1.4
351.26996	1.1
359.60431	0.9
363.26492	1.1
407.29398	1.1
431.32999	0.9
472.60977	0.8
499.40115	1.0
501.35538	1.1
515.37787	1.4
517.40332	5.7
521.36548	1.5
535.41162	4.1
539.37561	1.7
540.38171	1.1
541.39124	1.2
545.38416	1.0
553.40308	0.8
555.41199	0.9
591.43945	6.2
607.42981	2.5
609.45050	100.0
610.45526	5.7
621.45258	1.9
665.97473	0.9
717.46851	1.2
719.87891	1.0
753.49066	1.3
771.50598	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.6
55.05505	13.7
57.03439	5.5
57.07066	2.2
58.18743	0.5
61.02922	17.9
65.03926	1.8
67.05502	23.9
69.03083	1.1
69.03423	9.8
69.07063	12.6
71.01343	1.6
71.04984	2.5
73.02911	9.3
79.05489	16.9
81.03417	5.1
81.07050	26.4
83.04969	2.0
83.08613	6.6
85.02901	16.4
85.06536	1.7
87.04462	0.8
91.03947	8.6
91.05469	17.4
93.07043	18.2
95.04951	4.5
95.08601	20.6
97.02886	13.3
97.03465	1.1
97.06520	2.4
97.10166	3.5
98.03583	0.6
99.04459	2.0
99.08073	1.1
101.02351	2.3
103.05492	0.7
105.07027	16.3
107.04975	2.2
107.08578	12.8
109.02876	1.9
109.06523	2.4
109.10155	7.4
111.08083	1.5
115.03951	0.7
115.05453	1.9
116.06238	0.5
117.07004	10.1
119.08574	15.5
121.06495	1.5
121.10137	7.2
123.08077	1.1
123.11694	1.5
125.09641	1.8
127.03910	2.7
128.06213	3.4
129.06990	11.3
130.07773	1.1
131.08565	14.2
131.09558	0.8
133.10127	9.8
135.08075	1.8
135.11682	5.4
137.09558	0.7
137.13313	0.7
139.07649	0.8
141.06995	6.1
142.07750	3.4
143.08553	15.0
144.09361	0.8
145.06447	1.0
145.10124	13.2
147.11690	6.8
149.02325	0.8
149.09613	1.7
149.13257	2.4
153.06999	1.4
154.07771	1.8
155.08554	10.6
156.09343	2.0
157.10104	13.7
158.10890	1.0
159.11674	9.5
161.13174	3.4
163.11221	0.9
163.14793	1.0
165.07074	1.4
166.07742	0.9
167.08521	5.8
168.09354	2.1
169.10114	14.9
170.10948	0.7
171.11674	12.2
171.13058	1.1
173.09547	0.8
173.13249	6.5
175.14822	1.8
179.08591	2.0
180.09386	0.8
181.10107	8.8
182.10892	1.7
183.08189	0.6
183.11678	12.3
184.12392	0.8
185.09662	0.7
185.13258	9.1
187.14777	3.2
189.16406	1.6
193.10112	2.8
194.10873	1.2
195.11690	9.9
195.13327	1.0
196.12360	0.9
197.13281	9.4
199.11229	0.6
199.13245	1.1
199.14801	6.0
201.16417	1.5
205.10123	1.7
207.11722	4.4
209.13263	7.2
210.13933	0.7
211.14828	7.2
213.16437	2.8
215.14496	0.6
215.17897	1.0
219.11671	1.7
220.12546	0.6
221.13307	2.8
223.11214	0.7
223.14841	4.9
225.12784	0.7
225.16351	4.0
227.18010	1.9
229.42155	0.6
233.13229	1.7
235.14874	2.5
237.16417	4.1
239.17963	4.1
241.19650	1.8
247.14787	1.2
249.16400	2.0
251.18001	2.5
253.19565	1.7
257.18991	1.3
263.17859	0.9
265.19501	1.3
267.21036	1.0
271.20474	0.8
281.22781	1.1
283.20560	0.7
285.22308	0.6
293.22504	1.2
295.20486	0.9
297.21960	0.7
299.20193	1.1
301.21561	0.7
307.24161	0.7
309.22321	0.9
311.23654	0.8
323.23752	1.2
325.21713	0.8
325.25269	0.8
337.25357	1.4
339.23230	0.8
339.27045	1.0
341.24890	0.8
349.25266	1.1
351.26807	1.6
363.26740	0.8
377.28531	0.6
379.30157	0.8
391.30292	0.9
393.27887	0.8
425.30505	0.8
433.31073	0.9
447.32318	1.2
449.34668	0.8
453.52151	0.6
475.34650	1.0
487.33813	0.9
499.40051	0.9
501.36484	1.4
513.35553	0.9
515.37518	0.9
517.40533	6.6
518.40912	0.7
521.35620	0.8
525.35522	1.2
527.37628	1.4
535.41797	3.6
539.37292	2.0
541.39099	1.7
553.39014	0.7
567.40527	0.9
573.43042	1.0
591.43909	7.2
607.43750	1.7
609.45093	100.0
610.45404	4.1
621.44788	1.6
651.46216	1.7
699.46802	0.8
717.46722	1.0
718.15326	0.7
735.47766	1.4
753.48975	1.7
771.50336	18.8
772.50891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	26.4
57.03433	15.2
57.07052	8.2
61.02913	2.3
65.03926	5.9
67.05500	100.0
69.03384	2.4
69.07063	28.8
69.33406	2.1
71.04969	3.3
71.75316	3.6
79.05486	47.2
81.07047	93.8
83.08595	10.2
85.02890	4.2
85.06538	3.6
90.52889	1.9
91.05471	27.7
93.07031	46.3
95.04948	3.6
95.08599	60.1
97.06561	2.8
97.10178	5.3
105.07021	19.6
107.08581	22.3
107.18814	1.9
109.06538	2.5
109.10141	22.2
117.07018	5.9
119.08579	15.0
121.10140	17.8
123.07962	2.2
123.11691	8.8
124.70538	2.1
131.08565	7.2
133.10104	15.3
135.11713	16.5
140.50223	2.4
145.10110	7.1
147.11682	9.8
149.13222	8.4
157.92168	2.3
159.11664	4.4
161.13251	6.0
163.14850	2.5
175.14836	4.4
187.14804	3.7
190.80693	2.2
205.19516	2.3
215.17963	3.0
217.19476	5.5
233.19038	2.2
235.20573	4.5
243.21013	4.1
261.22134	9.3
277.19037	2.3
300.37436	2.1
307.22580	3.3
309.24216	52.3
311.25867	2.5
321.24292	2.4
335.25772	57.1
336.25470	2.2
337.27319	7.4
495.41367	3.0
505.93445	2.4
569.45703	16.6
587.46539	10.8
663.13892	2.3
726.64240	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2327
Annotation	CHEBI:65996
Peak:m/z	Relative Intensity
55.01862	0.5
63.02320	0.4
65.03918	0.6
67.05473	1.4
68.99789	0.5
69.03423	4.2
69.07072	0.5
70.06567	0.9
70.10112	1.9
71.04989	0.5
71.06876	0.3
71.40492	0.4
79.05470	0.7
81.03407	3.1
81.07027	0.4
84.04501	0.7
84.08129	0.6
85.02884	0.8
86.09724	0.6
89.03897	3.1
91.05461	1.2
93.03373	0.5
93.07008	0.4
95.04954	0.9
97.06525	0.5
105.06976	0.6
107.04958	0.5
108.02048	0.4
109.02854	1.3
110.07193	0.7
113.05952	0.4
117.03364	8.9
119.04964	0.6
119.08560	0.4
134.03621	1.3
135.04420	1.0
136.07515	0.6
137.07912	0.4
141.01724	0.9
145.02834	24.1
147.04446	0.6
149.05956	5.1
151.03886	3.5
153.01826	0.4
163.03929	0.9
165.01805	6.1
169.10016	0.4
175.03894	2.7
177.05450	100.0
178.05779	1.4
178.17920	0.4
179.03387	3.0
183.02873	3.8
186.05553	1.3
187.87030	0.4
189.01707	0.4
191.03358	0.6
193.04959	0.7
195.06477	1.1
197.00792	0.4
203.03407	1.2
207.02879	1.4
209.04424	1.0
217.04927	0.4
229.04900	0.4
244.03677	0.5
247.05952	0.6
258.05273	1.0
259.05905	2.0
267.06570	0.4
270.05212	2.4
272.99799	0.4
280.07233	1.1
282.05405	0.6
284.06769	6.9
286.04736	2.6
290.05530	0.6
292.07205	0.5
295.06094	0.6
296.06824	2.4
297.07440	0.4
298.04727	20.6
298.08261	2.2
300.06354	1.0
301.07031	13.5
302.07394	0.4
308.06799	13.5
309.07358	1.1
310.04855	0.8
310.08286	2.9
311.09201	1.6
312.03244	0.5
312.06235	21.6
313.07028	76.7
314.07541	2.0
318.05280	0.5
321.09662	7.3
322.04810	0.6
323.05664	0.6
323.09116	2.6
324.06268	6.0
324.09671	0.6
325.06937	2.6
325.10602	1.0
326.07773	6.2
327.05154	2.0
327.08578	39.3
328.08929	1.0
334.08325	1.7
335.09033	0.6
336.06244	25.7
337.06989	7.2
338.07794	6.7
339.08685	11.3
340.09082	0.6
341.10187	12.4
349.10846	0.5
351.08597	37.4
352.09146	2.5
353.10184	14.1
357.09668	11.2
357.14099	0.8
362.07706	1.6
367.11697	6.2
369.09671	25.2
370.10028	0.6
377.10172	3.5
380.08804	0.7
395.11230	30.1
396.11697	1.0
413.12268	54.3
414.12564	1.4
431.13354	21.2
695.19391	0.5
707.19513	1.5
733.21051	1.1
751.22192	7.8
769.23273	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.6
55.05505	24.8
56.85655	1.3
57.03439	15.3
57.07058	5.0
61.02922	6.6
62.14842	1.3
65.03917	4.1
65.36123	1.3
67.05498	98.2
68.05824	1.3
68.67104	1.3
69.03416	2.4
69.07063	21.9
70.87801	3.8
71.04978	4.4
79.05485	74.7
81.07047	100.0
83.04973	3.1
83.08600	12.3
85.02877	5.6
85.06512	4.4
91.03923	2.3
91.05470	46.9
93.07034	93.7
95.04956	7.7
95.08594	74.4
97.02893	2.6
97.06518	4.8
97.10157	4.3
99.08080	5.1
105.04509	2.1
105.07022	31.7
107.08578	38.3
109.06509	3.5
109.10140	32.6
109.90417	1.2
111.08060	3.9
113.09589	1.4
117.07008	12.9
119.08571	27.8
121.10128	44.3
123.08063	2.7
123.11704	11.1
125.09624	1.9
127.20552	1.4
129.05487	2.3
129.06967	4.8
131.08553	25.9
133.10118	28.5
135.08046	1.4
135.10748	2.3
135.11688	34.8
137.09602	1.8
137.13223	3.7
139.11232	1.5
143.08527	2.1
145.10106	20.1
147.11671	18.7
149.09628	2.0
149.13225	17.3
151.11153	2.6
155.08380	1.7
157.10086	5.2
159.11682	14.6
161.13251	8.6
163.11153	2.7
163.14798	6.5
169.09978	1.6
171.11661	4.6
173.13254	11.9
175.14841	3.1
177.16281	1.6
185.13220	4.2
187.14859	4.6
189.16348	3.2
199.14757	2.3
201.16293	2.9
203.18048	1.9
205.15959	1.5
205.19536	2.0
213.16397	5.5
215.17929	19.7
227.17749	1.3
231.17398	5.9
233.18970	16.6
241.19528	2.3
243.21091	4.0
243.89885	1.4
259.20544	6.1
261.22116	11.7
299.23654	2.0
305.21072	3.8
307.22638	82.7
309.24091	7.2
317.24777	2.8
333.24063	3.7
335.25778	78.3
337.27319	4.6
452.67703	1.3
493.40521	2.4
501.85553	1.3
549.09625	1.4
567.43970	21.3
568.44019	1.8
585.45154	11.8
652.15161	1.4
653.89496	1.4
711.05505	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
55.05496	0.6
56.05028	0.7
57.07065	0.3
58.06339	0.2
58.06602	0.5
59.05003	0.4
60.07838	0.3
60.08155	6.4
63.33405	0.2
67.05502	1.3
69.03416	0.2
69.07061	0.8
70.06581	0.7
70.83668	0.4
71.07360	3.1
74.44479	0.2
79.05493	1.2
81.03403	0.6
81.07040	1.7
83.04984	0.2
86.09693	29.7
88.15717	0.2
91.05477	1.0
93.07042	1.2
95.08600	0.8
97.06518	0.5
98.98446	2.7
104.10734	1.7
105.07013	0.9
107.08555	0.5
109.06524	0.3
109.10137	0.5
117.06996	0.2
119.08588	0.6
121.10117	0.5
123.04397	0.2
124.99983	20.4
131.08542	0.3
133.10124	0.3
135.08041	0.3
135.11699	0.2
142.03444	0.3
145.10052	0.3
147.11681	0.2
149.09639	0.3
166.02501	0.3
184.07318	100.0
185.07690	0.6
238.59035	0.2
267.15714	0.4
335.26086	0.4
600.43781	0.3
712.45282	4.0
763.42303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47398	1.8
55.01873	10.3
55.05507	29.0
55.44548	2.0
56.28138	1.8
57.03426	24.6
57.07074	2.2
61.02929	3.4
63.43064	1.9
65.03930	3.2
67.05494	76.1
69.03422	8.9
69.06686	2.4
69.07057	34.0
69.52468	7.6
69.52892	9.3
70.06591	4.1
71.01331	2.4
71.04988	10.0
73.02898	2.0
77.30843	1.8
79.05482	62.9
81.02929	3.8
81.03409	78.0
81.07044	84.0
82.06586	2.4
82.07392	3.2
83.04967	21.8
83.08601	30.5
84.08095	2.4
85.02896	24.7
85.06535	7.6
86.09702	2.2
91.05469	93.2
93.07034	76.6
95.04945	26.4
95.08602	47.3
97.02888	7.2
97.06501	19.7
97.10148	5.8
99.08059	3.4
100.07620	4.5
100.11244	17.3
105.07016	35.6
107.04927	13.0
107.08579	35.7
109.06509	14.6
109.10142	31.1
111.04452	5.9
111.08086	10.0
113.05944	2.1
115.05410	3.2
117.07009	19.1
119.08570	94.2
120.79288	1.8
121.06504	8.8
121.10120	35.2
123.08067	7.4
123.11698	5.5
125.09602	5.4
126.35795	2.5
128.06226	3.0
128.07088	4.1
129.06987	10.8
131.08554	24.7
131.66682	2.2
133.06496	4.3
133.10130	22.3
135.08058	9.0
135.11662	6.3
137.09592	42.4
139.11235	3.5
140.07108	2.3
143.08560	3.4
145.10086	13.6
147.08043	12.1
147.11647	14.9
149.09604	22.9
149.13251	16.1
151.11218	5.9
153.09164	2.3
157.10054	10.7
159.11652	11.3
161.13223	2.1
163.11153	8.8
165.09090	29.1
165.12769	3.1
167.10655	4.9
169.10101	5.3
171.11670	3.1
173.09731	2.7
173.11700	3.7
173.13245	4.5
175.11163	10.1
177.12682	3.6
182.15364	18.4
183.08717	1.8
183.10156	12.1
183.11610	3.7
184.17020	4.9
193.12192	18.6
195.13855	3.0
201.16373	3.8
202.32521	2.1
209.16525	5.5
210.14868	20.8
211.13286	19.4
211.14937	2.5
227.12718	3.2
229.14191	5.4
229.16129	4.1
239.12750	25.9
241.14279	17.4
247.16882	12.8
252.66447	2.2
257.13824	48.9
257.18896	5.4
258.04977	3.5
265.17929	2.3
266.21167	3.6
267.15839	14.8
269.17471	18.3
275.20020	23.1
285.16928	21.3
287.05377	3.0
293.21231	4.2
294.20718	4.2
301.07059	2.6
321.20523	16.6
337.21289	3.8
339.21677	6.4
341.21283	4.2
349.23752	14.9
367.24759	5.9
383.11072	2.9
384.11569	6.4
393.22534	2.9
399.59048	2.2
410.33615	4.0
411.23688	14.7
415.24796	4.0
433.25848	41.9
439.28705	2.6
449.51791	2.1
451.26877	100.0
452.27078	3.5
471.35028	3.0
513.31921	23.7
520.37439	4.4
531.33075	53.6
532.33752	3.2
549.34186	21.4
595.31348	2.9
746.53851	5.5
764.55133	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.3
55.01867	16.6
55.02090	3.0
55.05310	2.6
55.05503	29.9
57.03429	42.4
59.04968	4.1
61.02903	6.7
63.00179	3.0
65.03925	4.6
67.05499	63.9
69.03418	24.3
69.07058	61.5
70.94331	10.0
71.01322	3.6
71.04983	20.5
72.37897	2.8
73.02899	7.0
77.03902	3.1
78.82465	3.3
79.05481	100.0
81.03404	82.1
81.06593	5.7
81.07047	73.9
83.01340	3.0
83.04980	25.8
83.08607	30.5
85.02888	32.8
85.06520	5.2
86.09679	3.2
91.05470	97.3
93.07032	77.4
95.04948	47.5
95.08594	46.6
97.02877	16.6
97.06521	93.7
97.10145	10.7
98.20770	3.5
99.08073	8.6
105.07020	65.0
107.04965	19.7
107.08576	34.7
109.02837	7.2
109.06499	23.2
109.10128	14.4
111.04392	7.7
111.08076	16.9
113.06022	5.1
115.05442	7.9
115.07558	26.2
117.07020	30.1
119.04887	4.1
119.08553	54.6
121.06468	11.9
121.10125	39.5
123.08047	18.1
123.11642	4.8
125.05995	3.3
125.09637	6.6
127.03889	6.8
127.07537	7.0
128.06165	6.7
129.06976	33.9
131.04909	3.1
131.08554	34.8
133.06454	8.9
133.10107	34.1
135.08037	33.8
135.11665	7.8
137.09563	12.9
141.06984	6.7
142.07773	6.5
143.08556	15.2
145.06412	4.9
145.10120	20.0
147.08000	16.2
147.11626	17.8
149.09602	36.2
149.14493	3.2
151.07524	7.1
157.10089	23.1
159.08054	6.1
159.11635	7.6
161.09608	12.0
163.07539	5.1
163.11165	10.1
165.09087	11.4
165.12611	4.0
167.08527	4.7
167.10602	3.3
169.10063	5.4
171.11656	21.2
173.04451	3.9
173.09572	8.5
175.11189	21.5
177.09088	3.4
183.07805	3.1
184.07362	5.0
185.09569	7.8
185.13289	4.6
187.11223	6.2
189.11194	3.7
189.12726	15.5
189.16313	3.6
191.10625	6.8
193.12219	41.6
199.09586	4.1
199.11244	5.2
199.14784	8.6
201.07530	6.0
201.12762	3.4
201.16278	4.3
211.13243	60.5
211.15103	4.7
213.12589	3.4
217.15860	11.0
219.44023	3.4
221.11682	3.2
227.12514	5.8
227.14333	10.0
233.14323	2.9
239.12714	9.1
241.14348	25.7
245.15367	39.8
247.16910	3.6
255.12224	11.4
257.13861	6.8
263.16354	14.3
267.15909	25.4
273.18604	4.0
275.19992	4.7
283.15250	5.8
285.16907	56.9
319.07040	3.2
319.18985	15.7
320.18378	3.6
321.20432	4.5
337.20004	17.4
349.23669	3.8
399.25488	4.0
409.22327	4.4
433.25812	13.4
437.26459	5.1
449.25397	20.7
451.26953	17.8
453.24319	3.8
456.74399	3.5
457.26160	3.2
529.31561	19.9
532.37970	3.7
547.32404	20.2
565.32874	9.0
762.40973	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.01862	6.9
55.05506	30.0
56.50986	2.8
57.03435	15.7
60.08169	3.2
67.05500	59.5
69.03422	6.4
69.07055	19.7
70.06627	5.2
70.06978	17.2
71.04972	11.1
73.02916	3.6
79.05487	65.8
81.03404	46.6
81.07047	58.3
81.86523	3.0
83.04974	5.8
83.08621	13.8
85.02895	8.7
85.06546	7.6
86.09695	17.2
90.10905	2.9
91.05467	63.0
93.07037	57.8
95.04968	21.5
95.08578	36.3
96.08902	4.3
97.02897	6.2
97.06528	14.0
97.10161	8.2
99.08075	5.4
105.07021	60.1
107.04945	7.0
107.08569	32.3
109.06510	9.8
109.10149	15.0
111.08042	4.0
115.05436	3.1
117.06991	22.2
119.08561	53.2
121.06545	7.2
121.10114	29.2
123.08047	12.6
124.99992	12.5
125.09618	11.2
128.06252	3.3
129.06978	21.1
131.08524	25.6
133.06583	4.2
133.10124	50.9
134.10477	2.9
135.08055	16.5
135.11679	11.9
137.09619	9.3
141.06987	6.6
142.07748	4.3
143.08525	17.7
145.10112	28.6
147.08022	4.3
147.11670	30.4
149.09598	12.4
155.08594	4.7
157.10110	24.5
159.08075	4.5
159.11667	15.2
161.09572	6.1
163.11238	7.2
169.10109	12.6
171.11665	22.1
172.29338	2.9
173.09631	3.4
173.13261	11.0
175.11203	7.5
177.12775	4.4
179.10576	3.4
181.10103	3.5
183.11653	8.4
184.07304	45.5
185.13231	6.8
187.11253	3.4
187.14818	4.6
189.16371	3.8
193.12233	8.4
194.47343	3.2
194.49167	3.1
195.11673	4.6
197.13228	5.7
199.14816	4.2
203.17947	6.4
209.11598	3.5
209.13313	4.5
213.16422	20.5
222.13770	4.1
227.12798	8.2
230.49599	2.9
231.17410	22.3
237.16321	4.6
247.16933	3.9
255.17584	7.0
257.19180	4.7
267.15945	23.5
271.20523	5.7
273.13318	3.4
275.19971	4.4
305.21164	10.2
379.21136	3.4
387.26508	3.6
389.23190	4.2
405.27881	15.9
407.24332	7.0
423.28784	11.5
441.29904	4.2
458.80811	3.2
467.25998	3.5
489.31952	6.3
497.32590	43.6
511.33990	3.4
515.33624	100.0
516.34314	5.5
529.34912	12.8
547.35571	13.8
565.33490	4.3
763.38574	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	16.9
55.01869	27.3
55.05503	36.3
57.03419	19.6
57.07051	7.1
61.02906	13.0
67.05502	89.0
67.05854	3.6
68.98723	3.4
69.03402	13.2
69.07063	36.3
70.20083	22.0
71.04971	8.4
73.02875	6.6
74.24657	3.3
79.05484	100.0
81.03387	8.8
81.07046	97.6
83.04951	9.3
83.08614	19.6
85.02886	15.7
85.06496	4.7
86.09669	3.9
91.03948	7.0
91.05474	79.9
93.07028	90.6
95.04951	20.7
95.08591	59.8
97.02874	16.0
97.06525	37.5
97.10148	23.2
98.21358	6.0
99.08083	8.1
105.07014	58.0
107.04921	15.4
107.08587	41.6
109.06524	7.2
109.10144	32.6
111.08067	10.1
114.78618	4.7
117.07018	25.4
119.08576	38.1
121.06486	5.1
121.10135	43.4
123.08020	7.7
123.11694	12.3
125.09605	17.6
127.03824	7.5
128.06189	5.3
129.06967	10.5
131.08543	41.2
133.06477	5.9
133.10124	32.1
135.07991	4.4
135.11656	22.8
137.09544	8.6
143.08521	18.5
145.10104	31.3
147.07967	5.8
147.11615	19.2
149.09650	23.6
149.13206	9.1
157.10085	9.7
159.08116	4.6
159.11665	18.0
161.13271	7.7
163.11137	9.2
169.10081	6.6
171.11691	10.0
173.13206	9.7
175.11156	7.4
181.10065	4.3
183.11696	5.6
184.07315	9.6
185.13248	4.9
189.11185	9.7
191.14249	4.0
211.14735	5.7
213.16286	7.0
215.17941	11.0
227.12746	22.6
229.14337	10.9
229.19630	5.1
231.17450	5.3
233.18985	10.8
247.20457	4.5
255.31323	4.1
257.19040	8.8
273.18506	11.7
275.20029	48.5
290.47162	4.0
291.19522	4.3
307.22617	80.8
309.24274	27.3
347.21954	8.4
349.23688	40.5
403.28613	5.6
440.31589	4.2
457.05145	4.9
461.32385	7.9
477.32062	12.3
485.36191	6.2
487.33893	4.7
497.36441	4.4
569.34076	5.2
581.41846	55.2
582.41620	4.9
599.42688	18.1
610.27655	5.9
697.27887	8.2
716.97449	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.5
54.32652	1.9
55.01860	9.2
55.05503	24.6
56.76038	2.0
57.03430	24.5
59.04992	2.8
61.02914	5.5
65.03944	3.1
67.05495	61.1
69.03416	13.7
69.07058	36.8
71.04987	13.3
71.26427	2.1
73.02886	2.1
79.05482	64.4
81.03407	90.7
81.06598	3.9
81.07047	61.4
83.04967	22.1
83.08617	22.5
85.02901	28.4
85.06541	3.9
86.68759	1.7
91.03964	2.4
91.05472	100.0
93.07029	59.8
95.04951	34.5
95.08596	38.0
97.02882	10.1
97.06518	24.0
97.10165	10.7
99.04449	2.5
99.08078	6.6
105.07018	39.9
107.04961	18.0
107.08583	25.2
109.06510	18.3
109.10123	18.9
111.04421	6.4
111.08080	11.7
113.06012	4.4
115.05433	4.3
115.07592	5.3
117.07007	20.2
119.04908	3.1
119.08564	86.9
121.06496	12.1
121.10124	21.7
123.08044	23.2
123.11679	3.7
125.05945	2.3
125.09647	12.0
127.03893	2.5
127.07575	6.0
128.06232	4.6
129.05493	1.9
129.07004	18.8
131.08562	23.9
133.06476	7.4
133.10112	19.2
135.08054	13.7
135.11652	4.8
137.09619	36.3
141.06982	3.1
141.10300	1.8
142.07733	3.8
143.07028	6.8
143.08527	7.0
145.06474	3.1
145.10117	16.1
147.08023	21.6
147.11655	11.3
149.09570	16.3
151.07498	2.2
153.07066	2.0
153.09166	4.7
153.12666	2.1
155.08580	3.1
157.10129	18.3
159.08038	4.1
159.11693	5.9
161.09621	10.7
161.13225	2.7
163.03897	2.7
163.07549	5.7
163.11176	6.4
165.09102	28.2
165.12823	2.6
167.08481	2.6
171.11673	6.2
175.11128	13.3
177.09096	6.0
179.10756	2.9
181.08612	2.3
183.10150	10.0
183.11674	3.0
185.09595	3.3
187.11176	2.8
187.13460	2.3
189.11192	5.2
189.12674	4.2
191.10738	2.2
193.12213	34.3
199.09648	9.7
199.11333	3.3
199.14766	5.3
203.14348	2.4
211.11243	2.6
211.13257	45.8
217.15881	9.1
223.13338	4.6
227.12674	8.7
227.14520	4.6
239.12767	30.0
239.66508	2.3
241.14323	4.8
245.15347	24.4
255.12242	4.2
257.11267	1.7
257.13800	48.4
263.16461	13.0
267.15939	22.2
273.18423	13.9
285.16925	35.8
291.19492	25.6
304.46402	2.3
319.18982	5.6
337.20050	6.9
355.20987	4.9
357.20715	3.5
365.23212	8.7
383.11475	2.8
383.24213	8.0
409.22052	5.0
431.24319	18.8
433.25772	4.6
449.25281	21.8
451.26550	5.1
467.26343	29.8
511.30487	7.5
529.31500	21.1
547.32782	23.8
565.33508	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.5
55.01864	9.0
55.05506	36.0
57.03440	14.2
57.07053	4.8
60.62878	2.5
61.02912	9.9
65.03918	7.0
65.12702	2.3
67.05499	73.2
69.03419	13.0
69.07059	24.5
69.65348	6.2
69.65762	15.0
69.68190	2.5
71.04980	5.7
73.02911	4.7
79.05484	90.9
81.03397	9.4
81.07047	100.0
82.07385	4.6
83.04964	11.4
83.08619	17.7
85.02894	12.6
85.06557	3.5
86.09696	5.3
89.05984	3.2
91.03901	2.8
91.05470	72.7
93.07038	86.3
95.04956	23.0
95.08600	49.3
97.02863	8.9
97.06509	13.0
97.10171	7.5
99.08089	9.2
103.05444	3.6
105.07022	64.4
107.04951	9.0
107.08578	36.0
109.02849	4.0
109.06537	15.3
109.10142	27.9
111.08070	5.9
113.06038	3.3
115.05430	7.1
116.06233	3.9
117.07008	48.4
119.08568	43.8
121.06486	8.0
121.10122	40.4
123.08084	7.8
123.11691	5.8
125.00017	2.8
125.09612	3.3
127.03909	3.4
127.07575	3.3
128.06195	18.8
129.06989	25.5
130.07730	6.4
131.08546	57.5
133.06467	9.1
133.10117	33.7
135.08066	13.4
135.11668	16.2
137.09633	5.1
141.06973	8.6
142.07761	7.6
143.08542	51.0
145.06470	7.5
145.08960	4.6
145.10109	66.2
147.08051	13.7
147.11719	14.1
149.09602	11.6
149.13245	9.6
151.07487	3.2
151.11179	3.7
155.08528	7.2
157.10130	26.7
159.07999	5.4
159.11658	21.7
161.09628	14.5
161.13223	6.2
163.11179	10.1
167.08458	4.9
169.10124	9.7
169.62767	2.8
171.11661	17.9
173.09615	5.2
173.13249	6.6
175.11147	8.3
175.14870	3.4
177.12823	3.2
181.10086	8.1
183.11644	7.5
184.07289	11.2
185.13219	8.2
187.11113	4.2
187.14742	3.3
189.12730	4.9
195.11638	13.6
199.14825	4.7
201.11206	7.5
209.13290	3.9
211.14819	3.9
213.16315	3.3
215.17970	5.4
227.14326	4.3
227.17964	5.6
231.17493	3.6
233.19083	5.4
234.73595	3.1
237.16444	13.4
245.15457	6.7
245.19083	7.5
255.17395	21.1
255.19653	3.0
273.18463	69.7
273.21420	3.5
291.19656	5.5
296.58871	2.7
305.21396	3.1
307.22647	99.6
308.23047	3.9
329.21021	4.0
335.25897	15.0
336.26071	5.6
347.22165	37.3
538.63593	2.7
579.40295	42.8
580.41064	4.0
597.41400	18.9
759.45129	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01866	5.2
55.05509	19.6
55.28840	2.4
57.03421	10.5
60.08135	4.2
61.02910	9.2
65.03931	5.3
67.05500	62.9
69.03432	6.6
69.07057	25.1
71.24055	6.3
73.02898	4.5
79.05484	56.9
81.03398	6.3
81.06600	4.8
81.07047	64.1
83.04964	3.8
83.08624	6.7
85.02885	9.2
85.06551	4.9
86.09705	16.6
91.05472	69.5
93.07036	55.0
94.07330	2.7
95.04965	14.7
95.08601	36.7
97.02885	7.0
97.06527	12.8
97.10134	3.7
99.08076	3.1
103.05464	6.2
105.07017	47.3
107.04939	7.9
107.08592	25.5
109.06496	11.4
109.10138	10.1
111.08080	5.4
113.05993	7.7
115.05431	6.4
117.07021	29.2
119.08577	46.8
120.60449	2.5
121.06484	11.3
121.10136	17.4
123.08038	11.6
123.11689	3.5
124.99963	7.7
125.09682	3.2
128.06207	16.5
129.07004	32.0
130.07741	2.7
131.08560	58.9
133.06480	25.4
133.10080	13.2
135.08063	24.5
135.11691	9.3
137.09534	4.2
139.07497	6.6
141.06972	6.7
141.69780	2.4
142.07777	5.7
143.08548	80.3
145.06482	6.1
145.10106	28.8
147.08014	29.5
147.11644	3.5
149.09605	18.5
151.07559	4.8
155.08531	13.6
157.10085	21.3
159.08011	10.0
159.11687	5.3
161.09595	8.4
161.13243	4.5
165.07068	4.7
167.08568	10.9
168.09320	3.7
169.10101	7.1
171.08040	6.6
171.11661	8.5
173.09566	5.8
175.09639	2.6
175.11177	5.8
177.09113	3.8
179.08517	3.3
181.10094	10.5
183.11676	10.3
184.07312	35.3
185.07886	2.6
185.09575	8.5
185.13261	8.3
199.14784	21.3
209.13287	19.5
217.15865	7.9
227.14293	51.2
245.15323	43.8
261.22009	3.1
275.20065	2.6
319.19000	29.6
335.25778	100.0
336.26163	2.7
350.47260	2.7
385.49054	2.6
561.37482	4.8
579.40442	34.6
597.40363	3.3
613.83356	3.3
674.83807	2.9
759.42859	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.7
53.07545	2.4
55.01870	21.8
55.05504	30.4
57.03433	13.8
61.02916	16.5
65.03932	2.9
67.05496	72.8
69.03418	17.0
69.07063	29.4
69.66022	18.6
71.01376	2.6
71.04976	7.6
73.02895	10.2
79.05016	3.0
79.05479	59.6
81.03410	18.0
81.07047	68.0
81.07531	3.2
83.04989	9.3
83.08605	14.7
85.02905	16.5
85.06540	5.3
86.09699	6.3
91.03936	8.9
91.05462	55.7
93.07028	53.8
95.04953	15.8
95.08595	51.0
97.02882	16.9
97.06519	26.5
97.10146	9.6
98.20690	5.0
99.04478	2.5
99.08049	5.9
103.05457	4.2
105.07011	52.2
107.04961	9.3
107.08565	35.6
109.02869	4.5
109.06484	8.5
109.10140	24.2
111.04444	3.1
111.08060	7.4
115.03999	2.2
115.05483	4.2
117.07002	26.2
117.68481	2.3
119.08568	41.5
121.06500	4.1
121.10132	22.6
123.08065	5.3
123.11666	4.7
124.99989	4.1
125.09620	11.4
127.03926	5.1
128.06197	5.6
129.06979	23.7
130.07788	3.9
131.08543	34.8
133.06479	3.8
133.10112	37.9
134.68243	2.3
135.08031	5.3
135.11700	10.6
137.09589	5.5
141.06975	10.0
142.07771	6.8
143.08554	24.8
145.06493	3.4
145.10106	32.1
147.08121	4.9
147.11668	23.7
149.09599	9.6
149.13226	4.4
151.11201	3.1
155.08501	17.4
156.09319	2.5
157.10123	29.0
157.27293	2.4
159.08049	6.2
159.11693	21.5
161.09608	5.1
161.13229	8.0
163.11156	6.2
167.08572	9.3
168.09323	3.5
169.10098	17.2
171.11647	21.4
173.04330	3.6
173.09608	4.1
173.13254	10.3
175.11147	6.7
179.08540	5.3
181.10062	11.2
183.11665	20.4
184.07309	20.3
185.09627	5.4
185.13260	17.0
187.11195	6.9
187.14867	6.8
188.82036	2.4
189.11293	4.4
189.12714	3.8
189.16324	4.1
193.10257	5.1
195.11696	14.1
197.13220	11.2
199.11177	2.5
199.14801	7.2
201.16382	3.8
207.11792	5.1
209.13271	9.7
211.14813	7.2
213.16370	10.9
219.11723	4.6
221.13300	3.7
223.14803	5.3
225.16403	8.2
227.12727	6.3
227.17950	5.5
229.19542	2.8
231.17336	11.2
235.14865	4.8
237.16389	5.5
239.17894	5.6
241.19479	5.2
243.17439	2.8
245.13536	2.6
247.14682	3.3
247.16913	4.1
251.17839	4.0
253.19667	4.0
273.18481	7.6
275.20029	15.0
291.19519	3.4
305.21021	7.2
307.22528	4.3
330.36353	2.7
337.25342	3.4
347.21909	3.2
349.23746	5.9
355.26440	3.0
365.24191	2.7
377.23532	3.7
393.27652	4.6
467.31583	3.5
485.32474	21.7
487.35602	7.6
499.34714	3.8
505.36420	6.4
561.38947	4.2
569.41461	3.2
579.40253	38.5
587.98053	2.4
595.39252	2.7
597.41461	100.0
598.41534	2.9
605.88428	2.9
741.44977	6.3
759.46869	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.3
55.01872	16.0
55.05504	34.5
57.03434	18.3
57.07076	5.9
61.02913	20.4
61.95507	2.3
62.38309	2.6
65.03940	3.6
66.74078	2.4
67.05494	66.8
69.03425	17.7
69.07060	40.2
71.01356	3.1
71.04981	6.6
73.02911	10.2
79.05486	74.8
80.35703	2.4
80.42715	2.8
81.03404	23.5
81.07047	86.1
83.04967	9.0
83.08607	14.6
85.02882	20.4
85.06509	3.4
86.09700	13.1
91.03941	6.4
91.05468	64.2
93.07027	68.5
95.04953	16.9
95.08592	63.8
97.02892	18.9
97.06519	19.0
97.10179	3.9
99.04449	7.8
99.08048	2.7
101.02381	3.8
101.05997	3.2
101.31446	2.5
105.07012	57.0
107.04970	14.1
107.08572	30.5
109.02875	5.8
109.06503	10.7
109.10146	24.7
111.08075	7.4
115.05452	3.5
117.06994	31.9
119.08562	46.0
121.06516	7.3
121.10132	26.3
123.04433	4.1
123.08044	6.0
123.11694	3.7
123.22105	2.5
125.00001	7.5
125.09622	5.0
126.00368	2.8
127.03915	9.1
128.06200	8.0
129.05521	3.9
129.06992	29.1
130.07788	3.1
131.08546	42.0
133.06499	3.6
133.10103	28.5
135.08061	12.9
135.11656	11.4
137.09633	7.0
141.06984	12.0
142.07745	6.3
143.07008	8.1
143.08528	30.0
145.06465	4.2
145.10110	33.9
147.08101	4.7
147.11649	18.0
149.09596	21.1
149.13313	7.9
151.07445	3.6
151.11163	3.2
153.06989	4.5
154.07726	7.1
155.08519	16.4
156.09384	3.1
157.10146	24.9
159.08047	3.5
159.11649	23.1
161.09541	5.5
161.13216	15.1
163.11194	7.2
165.06967	3.2
165.09120	3.4
167.08548	8.0
167.10718	3.9
168.09331	2.9
169.10139	25.6
171.11673	26.0
173.04472	7.5
173.13214	19.1
175.11211	3.0
175.14952	5.1
177.12662	3.4
179.08553	5.5
181.10178	14.8
183.11644	18.8
184.07315	37.9
185.09645	4.0
185.13225	18.7
187.11197	3.3
187.14832	6.7
189.12669	4.2
191.08601	3.5
193.10150	5.0
195.11726	11.7
197.13206	13.9
199.09663	6.3
199.14861	11.2
201.12779	3.5
201.16457	7.5
203.17996	3.9
207.11650	6.7
209.13277	12.5
211.14793	14.4
213.16382	7.1
219.17467	3.6
221.13306	8.2
223.11322	2.9
223.14807	8.3
225.16345	6.6
227.17940	4.4
229.15836	8.7
231.17404	3.7
235.14790	7.2
237.16331	5.7
239.18016	2.9
241.14070	3.4
241.19522	8.4
247.17041	6.3
249.16429	4.1
251.18028	5.5
253.19608	4.2
257.18997	4.2
259.20633	7.4
262.33734	3.2
269.19086	4.1
271.20615	4.0
281.22018	2.7
301.21658	3.7
321.20737	3.2
333.24387	6.6
335.25671	5.1
369.33212	2.9
485.32626	24.5
487.34985	8.7
499.33871	11.6
505.36786	7.7
539.37347	3.0
553.35541	2.9
561.38812	3.2
579.40521	49.5
579.49585	3.9
597.41461	100.0
661.39264	3.5
717.52374	3.2
741.44489	5.5
759.46136	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	9.1
62.60859	1.1
71.73275	1.8
71.73666	1.4
73.74428	1.2
77.00658	1.2
84.96029	5.7
94.93034	1.3
98.97569	47.7
110.97541	10.4
112.89595	6.6
116.98609	30.9
119.39904	1.2
123.78883	1.2
124.58017	1.2
128.98590	24.8
134.99631	12.3
140.98593	4.4
143.00177	9.5
146.99632	22.4
147.00833	1.5
152.00157	1.6
153.00562	1.2
158.99638	22.7
161.01216	12.1
165.00726	3.5
170.99637	34.8
173.01305	1.5
177.00682	24.8
179.02260	2.3
182.99654	14.5
189.00693	47.5
195.01860	2.5
196.87892	1.4
200.02451	2.0
201.00696	58.3
203.02255	2.3
207.01833	5.7
212.02319	3.7
213.00739	4.5
219.01755	48.6
219.03828	2.6
224.02235	2.3
231.01793	5.1
237.02803	28.5
237.05009	2.2
242.03366	2.5
243.01764	23.1
254.99541	2.3
255.03850	2.8
260.04514	1.4
261.02802	94.1
262.03183	1.8
268.98282	3.7
273.00348	2.3
273.02893	7.6
279.03857	55.6
291.03818	18.0
291.06784	1.8
299.08957	1.1
302.05344	8.7
303.03674	1.2
321.04865	32.5
333.04843	4.9
351.05972	11.4
357.37924	1.5
363.05728	1.5
381.06943	17.8
382.11969	1.4
399.08017	18.6
417.04681	86.5
418.04877	2.8
422.09906	1.5
435.05740	8.6
441.09143	100.0
442.09451	3.6
453.09274	1.5
458.07202	5.2
471.10110	2.8
476.95721	1.7
477.07104	1.7
501.10941	6.9
525.11133	1.6
543.12445	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.5
55.01858	10.8
55.05510	34.7
56.11959	3.3
57.03435	19.9
57.07057	9.0
61.02905	10.5
65.03939	5.5
66.97828	3.8
67.05495	76.9
69.03422	25.8
69.07049	28.6
71.01322	5.1
71.04969	11.9
71.54871	7.5
73.02895	11.0
73.77686	3.3
79.05486	79.7
81.03405	51.6
81.07043	100.0
83.04960	16.6
83.08598	15.3
85.02898	16.9
85.06520	5.6
91.03941	7.7
91.05458	74.0
93.07029	71.2
95.04958	25.5
95.08593	79.7
97.02886	22.0
97.06512	10.5
97.10130	5.5
99.04436	6.3
105.07011	71.5
107.04958	7.5
107.08570	43.4
109.02841	17.6
109.06467	17.3
109.10126	20.4
111.04420	6.3
111.08075	9.3
113.28440	3.5
115.05431	7.9
117.06982	34.1
119.08558	50.8
121.06468	7.5
121.10131	33.7
123.08042	21.3
123.11701	7.4
125.09647	5.5
127.03909	9.2
128.06204	8.8
129.05508	8.9
129.06982	26.4
131.08543	43.8
132.08922	4.3
133.06458	7.6
133.10092	34.6
135.08025	11.6
135.11635	20.8
137.09587	16.0
141.06943	12.3
143.06931	5.2
143.08539	19.4
145.06490	5.5
145.10112	40.5
147.08012	8.7
147.11716	20.9
149.09589	19.2
149.13240	11.9
155.08572	14.6
157.10115	26.7
159.11687	24.9
161.09641	10.3
161.13252	14.3
163.11153	9.6
165.09016	5.1
167.08513	7.1
167.10701	4.6
169.10106	18.8
171.11661	15.3
173.04425	15.3
173.09587	5.9
173.13202	18.5
175.11179	9.1
175.14914	5.3
181.10115	7.5
183.11687	11.5
184.07317	9.1
185.09662	5.5
185.13235	11.0
187.11238	5.8
187.14787	6.6
195.11728	7.7
197.09473	3.9
197.13260	13.2
199.14810	9.1
209.13326	7.8
211.14789	6.1
213.16353	6.1
215.18013	4.6
223.14777	7.7
235.14906	4.7
239.17894	4.7
241.14394	9.0
241.19539	11.2
247.16940	11.9
251.17867	4.8
257.19019	5.4
259.20493	12.8
261.22208	7.0
267.15802	6.1
271.20807	4.8
273.18524	6.3
282.45816	3.7
297.21973	3.7
299.20065	4.3
307.22617	8.6
313.21817	5.2
321.20688	6.3
333.24191	14.0
335.25830	7.2
336.26236	4.1
361.24081	4.1
441.26273	4.8
442.66766	5.0
465.20944	7.2
485.32513	4.7
499.34177	17.0
527.36731	4.3
579.40436	35.2
597.41418	49.6
625.37091	6.7
643.38379	7.7
661.39465	10.9
723.44360	4.8
758.66241	4.2
759.43256	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01874	0.4
57.03424	0.4
57.67897	0.3
63.02370	0.6
65.03922	0.3
67.05499	0.4
68.99785	0.4
69.03423	2.8
69.51299	0.2
69.65905	2.3
70.06582	0.7
71.04980	0.3
71.44724	0.3
79.05480	0.3
81.03416	4.3
84.04493	0.5
85.02901	1.9
86.09699	0.6
89.03911	7.3
91.05480	1.0
95.04939	0.8
97.02876	0.9
99.04488	0.3
100.59756	0.3
103.05460	0.8
105.03420	0.3
106.04157	0.4
107.04893	0.6
109.02872	2.5
117.03368	21.2
118.03658	0.3
119.04922	0.4
127.03880	0.3
131.04950	0.4
134.03604	1.7
134.56534	0.2
135.04407	3.0
137.02332	2.5
141.01811	0.5
145.02832	53.2
146.03241	0.7
147.04388	1.5
149.04834	0.5
149.05962	6.2
153.01831	0.3
158.05991	0.4
161.02318	2.7
162.03055	0.4
163.03926	1.5
165.01840	3.7
175.03899	0.8
177.05452	100.0
178.05775	1.0
179.03386	3.6
179.08421	0.4
183.02885	3.5
186.05457	2.2
189.01842	0.3
191.03345	0.4
193.04916	0.7
195.06499	0.8
197.04382	0.5
203.03395	0.6
207.02859	0.9
209.04387	0.5
209.65312	0.3
211.07278	0.3
221.04243	0.4
245.04349	1.0
259.09485	0.3
271.05807	0.4
281.08066	0.3
283.05902	0.8
285.07443	0.4
287.05484	5.5
295.06000	1.0
297.07462	1.1
299.05475	31.2
300.05771	0.8
309.07513	2.7
311.05362	1.1
311.09033	0.8
313.03635	0.9
313.07010	16.9
314.07254	0.4
319.06021	1.5
321.09808	3.8
323.05453	3.4
324.06165	0.8
325.03305	0.4
325.06989	6.1
327.08563	4.2
335.08844	0.5
337.07022	17.2
338.07330	0.6
339.07959	5.8
343.08081	3.6
353.06314	0.4
353.10159	2.3
355.08102	7.4
363.08600	2.3
381.09650	10.4
399.10754	13.2
417.11755	2.6
561.15710	0.8
579.17242	0.3
625.05365	0.4
625.15106	1.8
637.15033	0.6
651.17059	3.2
675.16388	1.1
681.17969	2.7
693.18018	6.7
701.17755	0.5
719.19531	5.3
737.20618	13.2
738.21094	0.5
755.21967	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.5
55.01865	6.7
55.05500	31.4
56.48534	3.5
57.03432	18.6
57.07063	5.0
59.04992	5.1
61.02907	4.0
67.05495	100.0
68.05850	3.5
69.03412	4.7
69.07053	23.5
69.57185	3.0
71.04984	7.3
71.75220	4.1
79.05481	64.4
81.03397	23.4
81.07040	74.6
83.04970	16.0
83.08614	15.0
85.02898	10.9
86.09669	8.7
91.05462	36.8
93.07027	74.5
95.04956	14.2
95.08581	49.9
97.02869	13.4
97.06537	12.1
105.07022	31.6
105.14470	3.3
107.04958	16.6
107.08571	40.6
109.06496	6.5
109.10127	36.1
111.04426	6.0
111.08113	4.0
117.07016	13.4
119.08551	24.0
120.68659	3.8
121.06462	5.7
121.10113	30.4
123.08036	4.3
123.11707	7.0
125.09626	7.3
129.06958	8.6
131.08528	18.4
131.19408	3.5
133.10103	18.6
135.11658	26.6
137.09535	4.1
143.08563	5.7
145.06383	5.4
145.10144	23.2
147.08054	5.6
147.11684	12.8
149.09578	5.1
149.13281	7.5
153.12703	8.8
157.10172	6.7
159.08040	3.3
159.11691	12.1
161.13245	6.3
163.11179	18.1
163.12396	3.9
173.11758	4.6
173.13249	9.2
181.12244	5.5
184.07285	24.8
189.11371	4.0
191.10617	6.7
209.11691	25.4
215.17981	8.6
223.13179	3.9
227.12677	16.7
229.14287	28.0
233.18977	6.8
243.21078	4.3
261.22131	11.5
283.15390	41.8
297.16837	10.3
301.16440	40.4
307.22617	31.6
315.23288	4.1
335.25787	69.4
422.84320	3.9
433.30814	5.4
434.50635	3.7
436.09122	4.2
451.31839	7.9
457.96573	3.8
461.32468	13.8
469.33304	4.2
525.35516	9.6
529.35303	6.9
543.36646	49.7
561.37787	32.6
644.21179	4.3
758.44025	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60117	0.5
53.03932	1.3
54.65384	0.6
55.01854	1.2
55.05499	1.4
57.03431	1.9
61.02919	5.9
62.39612	0.5
67.05505	6.0
69.03408	3.7
69.07061	2.2
71.04977	1.6
71.72732	0.6
73.02905	4.7
79.05479	4.8
81.03414	8.8
81.07051	5.8
85.02891	5.8
87.04481	1.0
91.03947	2.3
91.05467	5.2
93.07030	5.3
95.08572	4.2
95.11407	0.5
97.02892	5.8
97.06526	0.8
99.04426	1.1
101.02374	1.7
101.77582	0.7
105.07022	1.9
107.08580	1.7
109.02822	0.6
109.06503	0.7
109.10172	2.8
117.07043	0.6
119.08569	3.9
121.06495	1.7
121.10136	1.5
123.08066	0.7
127.03891	1.6
131.08546	0.9
137.09622	2.6
147.08044	0.7
164.82462	0.6
165.09117	2.2
184.07384	0.9
239.12749	0.8
243.08440	2.3
245.24966	0.7
255.12025	3.6
274.34222	0.6
307.85172	0.5
335.25745	0.7
473.19934	12.9
474.20526	0.8
519.29071	5.7
519.35986	0.7
549.45093	0.5
635.54193	0.6
751.42224	100.0
752.42712	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
55.05502	0.3
57.03404	0.4
57.67718	0.3
65.03903	0.5
67.05466	0.6
68.99479	0.3
68.99771	1.5
69.03091	0.3
69.03418	3.8
70.06590	0.3
70.10059	1.7
71.04952	0.3
79.05474	0.5
81.03417	1.9
81.07018	0.3
82.46213	0.3
85.02882	0.7
89.03906	2.3
91.05442	1.0
93.03387	1.0
93.07007	0.4
95.04936	1.0
95.08576	0.4
97.06474	0.3
103.05471	0.3
105.06978	0.4
107.04935	1.8
109.02891	0.8
111.04382	0.7
115.05430	0.4
117.03368	4.7
119.04893	0.6
119.08494	0.4
121.85798	0.3
123.04344	0.4
127.03860	0.5
131.04919	0.7
133.06429	0.3
134.03569	0.3
135.04391	3.7
137.02322	8.5
141.01820	2.0
145.02821	15.4
147.04384	2.4
149.05975	2.1
151.03900	0.4
153.01778	0.5
155.03384	0.3
159.04427	0.5
161.02318	7.3
162.02715	0.3
162.71529	0.3
163.03851	1.7
165.01808	12.9
165.05455	1.2
166.02292	0.5
167.03273	0.3
169.04973	0.6
171.04399	0.3
173.02312	0.3
175.03900	2.3
177.05437	55.5
178.05746	0.7
179.03368	10.5
181.04951	0.4
183.01224	0.4
183.02875	7.8
183.04419	0.7
186.05473	0.6
187.03871	0.4
189.01744	0.9
191.03333	1.1
191.63464	0.3
193.04924	1.3
195.06503	0.6
197.00850	0.5
197.04413	1.2
201.05489	0.6
203.03384	2.6
205.04860	0.4
207.02901	1.8
207.08060	0.4
209.04355	1.5
210.22406	0.3
221.04333	1.8
229.04945	1.0
229.08649	0.3
234.52623	0.3
235.07460	0.4
245.04338	3.3
247.05925	0.7
249.05540	0.3
259.09421	0.4
263.06918	0.9
269.04535	0.4
269.07996	0.4
270.05249	0.4
271.06052	1.0
281.07974	0.7
283.05887	1.3
285.07608	1.2
286.04675	0.8
287.05460	18.7
288.05615	0.4
289.03430	0.7
291.06628	0.6
293.07819	0.4
295.05923	2.4
297.07590	3.1
299.05450	100.0
300.05872	3.2
309.07504	7.8
310.07932	0.4
311.05478	3.6
311.09106	1.7
313.03589	3.2
313.06989	57.0
314.07260	2.0
319.05933	4.4
320.06586	0.4
321.10107	2.6
323.05426	8.1
324.06210	2.2
325.07007	20.4
326.07446	1.0
327.08585	13.4
335.09091	1.4
337.07007	57.5
338.07330	2.0
339.08316	18.3
340.08783	0.5
343.08075	13.6
344.08536	0.4
351.08585	0.5
353.10175	7.2
355.08072	24.6
356.08450	0.8
357.09830	0.6
363.08557	6.7
381.09622	34.5
382.05597	0.3
382.10107	1.2
399.10690	52.4
400.11011	1.1
417.11765	11.3
418.12408	0.4
524.48041	0.3
625.15442	2.0
637.14899	0.5
651.16956	4.1
656.26202	0.3
675.16919	0.9
681.18011	3.2
693.18005	7.0
694.17963	0.4
719.19385	3.7
737.20654	17.0
738.20801	0.6
755.09686	0.5
755.21930	5.6
756.20880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.05509	20.5
57.03432	16.6
57.07064	4.0
58.43757	2.1
63.67701	2.2
65.03910	3.3
67.05493	54.7
69.07053	19.9
71.04974	3.7
71.08613	2.8
77.88805	1.7
79.05484	20.9
81.03405	71.6
81.07044	61.5
83.04942	6.0
83.08613	18.8
85.06507	3.5
86.09688	2.9
91.05469	27.9
93.07040	24.1
95.04948	22.0
95.08591	33.0
97.06505	8.0
97.10141	8.3
98.21458	5.0
99.08070	3.3
105.07024	15.4
107.04937	6.6
107.08577	14.0
107.42724	2.1
109.06525	3.8
109.10148	14.8
111.04411	2.9
111.08041	6.2
111.98640	2.1
117.06959	4.6
119.08547	17.9
120.75284	2.5
121.06477	2.2
121.10153	10.3
123.11698	8.0
125.09618	4.7
129.06975	7.3
131.08560	10.8
133.06451	3.9
133.10097	12.3
135.11674	5.9
137.09599	4.4
137.13272	5.2
145.10092	5.0
147.08017	2.7
147.11638	15.1
149.09608	4.8
149.13196	3.1
157.10094	8.1
161.13205	4.8
163.11128	3.1
175.11128	8.6
175.14760	2.5
184.07320	13.5
193.12183	20.3
217.19528	9.0
227.12796	2.3
235.20515	14.0
245.13554	2.0
267.15875	100.0
275.23804	2.4
309.24210	84.7
395.35141	2.1
427.32056	5.3
445.33386	2.2
465.90848	2.3
489.65103	2.4
501.35657	75.9
502.36053	2.5
519.36774	35.4
543.36591	4.3
584.41772	2.4
603.92432	2.4
759.57770	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05501	1.3
57.03425	2.9
59.05010	0.7
61.02926	6.6
62.36511	0.6
67.05494	5.6
68.83376	0.6
69.03431	3.6
69.07058	1.4
71.04976	1.2
73.02914	5.4
79.05495	6.7
81.03406	3.7
81.07043	5.8
83.04991	0.9
83.08624	0.9
85.02897	7.6
91.03941	4.7
91.05456	2.9
93.07039	6.8
95.04973	0.9
95.08606	3.0
97.02885	5.6
99.04465	1.1
101.02386	1.8
103.03978	0.7
105.07048	2.4
107.04946	0.6
107.08617	2.1
109.02885	0.7
109.10177	1.8
115.17917	0.6
117.07037	0.8
119.08576	2.3
121.10143	3.0
127.03944	1.9
129.07057	0.9
131.08571	1.7
133.10139	1.9
135.11687	1.3
145.10069	1.0
147.11649	1.1
149.09677	1.2
157.10193	0.6
159.11748	0.6
171.76938	0.5
175.11125	0.7
185.04333	0.6
193.12242	0.8
203.05240	0.8
243.08397	2.5
254.11189	0.7
254.13680	0.5
259.50916	0.5
262.99844	0.5
283.15137	6.1
307.22617	0.9
362.73587	0.5
431.86511	0.5
491.26114	10.6
501.23050	6.3
751.42334	100.0
752.42816	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
55.01872	5.1
55.05506	48.9
55.55335	1.1
57.03427	22.7
57.07058	2.0
59.04980	3.7
60.04537	1.1
61.02920	5.4
65.03934	4.3
67.05498	100.0
69.03411	5.4
69.07066	17.5
71.01363	1.8
71.04985	4.8
71.75800	1.3
72.97540	1.0
73.02897	2.1
79.05485	71.3
81.03412	9.2
81.07047	68.1
82.07373	1.4
83.04980	6.4
83.08606	19.2
85.02898	19.2
85.06531	4.4
86.09700	1.5
87.04469	8.1
91.03973	1.5
91.05472	34.7
93.07034	64.8
94.07392	1.2
95.04955	10.8
95.08601	39.2
97.02876	5.6
97.06519	5.1
97.10157	24.4
99.04490	1.5
99.08079	3.1
103.03915	2.2
105.07010	19.5
107.04931	3.1
107.08578	30.1
109.06500	3.8
109.10145	53.2
111.04408	1.6
111.08083	5.3
117.07005	7.7
119.08561	22.2
121.06505	1.9
121.08739	1.4
121.10137	32.5
123.08044	3.7
123.11713	5.0
125.09617	21.5
129.07002	3.7
129.86580	1.3
131.08553	12.8
133.10118	16.4
135.08067	3.2
135.11678	23.8
137.09581	5.4
137.13219	1.3
139.11162	3.0
143.08549	1.9
143.10684	3.6
145.10104	14.6
147.08127	1.4
147.11671	9.2
149.09622	4.1
149.13268	8.8
151.11128	3.5
153.12730	1.5
153.86391	1.0
155.10698	1.7
157.10144	3.1
159.11691	9.2
161.09575	1.3
161.13210	2.6
163.11174	6.9
171.11655	3.5
173.09581	2.4
173.11743	12.1
173.13268	8.6
175.11250	1.7
177.12662	1.2
178.77065	1.2
181.12231	1.5
184.07365	2.1
185.11629	1.2
185.13261	1.6
187.14783	2.7
189.16383	1.8
191.10555	2.4
193.12297	2.4
195.72206	1.2
199.13264	11.6
203.12733	1.7
205.19527	1.8
209.11713	4.8
211.13213	1.9
213.16415	1.6
215.17952	16.8
217.14296	1.9
217.19420	1.5
227.12823	6.8
229.14322	36.6
231.17409	2.1
233.18988	12.2
245.13762	2.4
267.15936	3.5
283.15686	2.7
289.21490	1.6
301.16467	18.7
302.16934	1.1
307.22656	75.6
308.23129	2.1
431.31442	1.7
449.32568	10.3
461.32614	16.5
497.73215	1.2
515.33575	3.7
531.02069	1.0
533.34760	8.5
551.35706	5.3
572.34875	1.3
672.07672	1.3
672.97278	1.2
678.40613	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01860	3.2
55.05504	12.0
57.03424	11.8
57.07063	2.4
60.08144	2.3
61.02903	2.7
65.03918	1.5
67.05494	36.9
69.03416	2.4
69.07057	46.9
69.43160	2.4
69.43591	4.8
71.01353	0.9
71.04973	1.7
71.07359	1.3
71.08612	1.9
73.02895	0.9
73.06537	3.0
79.05482	39.1
81.03412	9.9
81.07043	100.0
83.04975	2.5
83.08610	6.3
83.99951	0.7
85.02888	13.0
85.06507	0.7
85.10186	2.0
86.09687	9.5
87.04456	1.1
89.06016	6.3
89.71378	0.6
91.05463	18.5
93.07027	31.1
95.04954	5.7
95.08591	26.3
95.09190	1.6
97.02861	3.2
97.06509	10.2
97.10149	1.6
98.98450	1.4
99.08086	4.2
103.03939	2.4
104.10735	0.7
105.04497	1.0
105.07018	11.7
107.04958	1.6
107.08573	18.1
109.06517	2.9
109.10147	10.2
111.08060	2.2
115.05383	1.3
115.07551	6.7
117.06995	7.1
117.09103	0.9
119.08564	10.1
121.06518	2.3
121.10133	12.6
123.08076	1.1
123.11681	2.9
124.99978	6.7
125.09608	2.3
127.07533	4.8
129.05527	0.8
129.07024	1.3
131.08553	6.6
133.08574	3.5
133.10109	5.5
135.08032	7.4
135.11679	5.8
137.06000	0.8
137.09633	2.2
137.13232	1.2
139.07565	2.2
143.06993	1.3
143.08548	1.9
145.08578	6.0
145.10031	3.7
147.08011	0.9
147.11716	4.2
149.13243	3.3
151.11118	0.8
153.09099	1.2
157.10092	1.2
159.11665	4.8
161.13228	3.4
163.07512	5.1
163.14828	2.2
165.09161	2.2
169.10120	1.1
171.10205	2.1
171.11679	1.5
173.13235	3.7
175.11206	0.7
175.14896	1.0
177.11241	1.2
177.12689	1.0
181.08583	2.7
183.11758	1.2
184.05675	1.7
184.07321	34.2
185.13219	1.3
187.14702	1.6
189.11192	1.0
195.11726	0.8
199.09647	3.8
199.14812	1.3
199.53102	0.7
201.11192	28.5
201.12965	1.5
201.16330	0.8
205.32024	0.7
213.16406	0.8
217.10745	1.0
239.12823	2.3
243.21167	1.8
255.12164	1.0
259.20685	1.8
261.22122	8.3
271.20557	0.7
273.13272	9.0
277.21738	1.1
289.21664	0.7
291.14240	0.9
299.15070	1.2
335.25754	40.4
336.26236	2.1
341.73727	0.7
359.86667	0.9
363.25748	1.1
423.28751	1.3
430.33020	0.9
461.32437	4.2
515.33759	1.6
533.34589	2.9
712.44501	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.01863	3.6
55.05504	15.0
57.03424	12.2
61.02937	1.3
65.03939	2.3
65.05505	0.9
67.05497	40.8
69.03422	1.6
69.07060	54.3
70.47343	3.8
71.01316	1.1
71.04987	2.3
73.06548	2.0
73.32423	1.3
79.05025	2.0
79.05485	38.1
81.03405	14.1
81.07047	100.0
83.04952	2.6
83.08607	7.8
85.02892	12.9
85.06529	1.2
89.94209	1.0
90.13969	1.1
91.05471	24.9
93.07034	32.3
95.04957	6.7
95.08595	27.6
97.02879	3.0
97.06512	13.9
97.07544	1.0
97.10137	1.6
98.21366	1.1
99.08099	3.9
103.03922	1.8
105.07005	13.1
107.08579	20.5
109.06506	4.1
109.10136	9.9
111.08086	4.0
115.07554	7.7
117.06983	7.9
119.08562	12.6
121.06520	2.8
121.10143	13.5
123.08052	2.0
123.11710	4.0
125.09632	2.4
127.07565	4.0
129.07045	1.4
131.08546	8.6
131.60785	1.3
133.10104	8.0
135.08031	12.3
135.11694	8.0
137.09604	3.4
139.07559	1.6
143.07063	2.0
143.08604	1.9
145.08588	6.2
145.10098	5.5
147.08014	1.3
147.11667	5.2
149.09581	1.7
149.13243	3.3
153.09105	2.3
157.08632	1.7
157.10077	2.3
159.11687	4.9
161.13232	3.7
163.07538	4.8
163.11227	1.5
163.14815	3.0
165.09090	3.5
169.10219	1.6
171.10213	2.7
171.11681	3.1
173.13257	4.2
175.09785	1.4
175.14861	1.5
178.01457	1.3
181.08591	5.0
184.07343	4.5
187.14700	2.6
188.85675	1.4
189.11156	1.1
199.09555	6.9
201.11206	27.4
201.12971	1.4
201.16315	1.4
217.10660	1.9
239.12747	3.4
243.21008	2.4
248.33768	1.3
259.20627	1.7
261.22168	7.3
273.13290	10.5
285.22064	1.1
289.21649	1.4
291.14325	1.1
301.21622	1.4
333.24133	1.5
335.25760	49.8
351.25421	1.8
461.32654	4.8
515.33362	2.6
533.34760	3.9
551.35321	1.8
609.65649	1.4
668.50989	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87794	1.2
53.03930	4.0
54.37291	0.8
55.01852	3.7
55.05508	9.3
57.03430	13.5
57.07059	3.8
60.71379	0.8
65.03941	1.1
67.05498	43.1
69.03417	2.1
69.07055	12.5
71.04982	3.5
71.08618	1.8
73.02919	1.0
73.28809	0.9
79.05486	24.5
81.03406	100.0
81.07042	38.0
83.04970	4.2
83.08607	4.0
85.06520	1.0
86.09682	2.5
87.04418	1.7
89.06027	4.8
91.05470	31.4
93.07027	34.1
95.04959	7.1
95.08595	34.0
97.02857	2.5
97.06512	3.7
97.10152	1.1
99.08078	1.1
105.07019	12.7
107.04961	1.6
107.08571	13.8
107.09228	1.3
109.06496	3.0
109.10143	14.6
111.08083	1.2
117.07027	5.0
119.08563	24.8
121.06490	6.1
121.10120	12.6
123.04416	1.1
123.08050	4.5
123.11689	4.9
124.99963	1.2
125.06039	1.1
129.06982	3.3
130.27466	0.9
131.08531	8.9
133.08574	3.0
133.10139	8.2
135.08060	2.2
135.11684	8.0
137.09598	20.2
137.13193	1.7
139.11079	1.0
142.07690	1.1
143.07031	2.2
143.08591	2.3
145.04951	1.3
145.10106	6.5
147.04356	1.3
147.08037	5.5
147.11713	5.7
149.09607	1.8
149.13255	3.8
157.10172	1.9
159.11682	4.8
161.09579	1.5
161.13246	4.0
163.07529	1.7
163.14893	2.3
164.45236	0.9
165.09093	20.3
167.10677	1.3
169.10069	1.6
171.11649	1.9
171.72475	0.9
173.13252	3.5
175.14864	1.7
177.09085	1.8
177.16484	1.3
181.10251	1.2
183.11635	2.2
184.07355	5.0
185.13318	2.1
187.14798	2.2
191.10712	1.0
199.09639	3.5
213.16519	1.0
219.13950	1.0
227.20026	29.0
235.16968	1.1
239.12755	64.7
243.21063	3.7
261.22119	9.7
271.15225	1.3
281.13742	1.7
301.25156	1.2
317.24838	2.1
327.23148	1.6
335.25778	47.1
336.26007	2.1
359.25775	1.0
375.21332	1.3
389.28467	1.5
401.26706	2.4
407.24582	1.4
407.29364	8.5
425.30557	7.2
441.35297	0.9
443.31531	2.1
481.32813	2.6
499.34158	40.6
500.34262	2.2
517.35229	28.2
531.36530	2.7
541.35492	1.2
549.37384	1.8
706.93738	1.1
760.05438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.7
55.01861	4.1
55.05506	19.2
57.03433	19.6
57.07071	2.6
59.04997	1.1
60.08149	2.0
65.03938	3.2
67.05499	62.0
67.41406	1.3
68.86517	1.1
69.03416	4.5
69.07066	13.6
69.59471	11.7
71.04984	3.8
74.53261	1.1
79.05016	2.4
79.05489	65.1
81.03411	87.1
81.07050	58.1
81.07536	2.2
83.05001	7.3
83.08614	23.0
85.06538	3.7
86.09697	10.5
91.05473	41.5
93.07038	66.3
95.04962	30.7
95.08601	38.2
97.02882	4.2
97.06528	5.2
97.10185	5.9
99.08088	5.3
105.07021	26.5
106.17883	1.6
107.04938	8.6
107.08589	26.0
109.06535	5.9
109.10146	21.2
111.04411	1.6
111.08068	10.4
115.05424	2.3
117.06992	9.4
119.08574	24.7
119.95064	1.2
121.06506	4.2
121.10141	33.8
123.04442	1.7
123.08086	2.7
123.11700	9.0
125.00000	6.5
125.09618	4.4
129.06999	14.7
131.08545	21.0
133.06482	5.0
133.10110	20.5
135.08051	3.0
135.11678	27.0
137.09572	3.4
141.07043	2.0
142.07742	3.5
142.93477	1.4
143.08574	2.4
145.10120	16.2
147.08047	4.1
147.11679	14.4
149.09621	7.2
149.13258	9.5
151.11208	2.6
155.08607	1.5
157.10124	13.2
159.11696	11.7
161.09598	1.9
161.13278	2.4
163.11172	2.7
165.12732	2.8
171.11723	3.2
173.13237	6.6
175.11165	10.6
175.14809	2.6
176.88341	1.2
177.12790	1.8
184.07338	28.4
185.13268	2.1
187.13271	1.6
187.14836	3.3
189.11230	3.5
191.14389	1.4
193.12231	22.5
197.13397	1.3
205.19470	2.2
211.13266	1.6
215.17912	25.0
227.12775	5.2
233.15424	1.7
233.19016	21.8
235.13277	1.8
249.14864	2.5
251.20049	1.7
257.19180	1.5
267.15891	100.0
268.16351	1.7
271.11536	1.6
273.14734	1.6
273.22153	4.6
285.16833	1.5
289.21585	2.0
301.14297	2.8
301.17722	1.7
307.22650	80.1
308.23160	1.5
309.17059	2.0
334.01035	1.4
335.25653	2.4
375.21631	1.3
393.19034	1.5
407.24634	2.0
407.29474	6.1
421.25922	2.3
425.30258	6.5
443.31665	2.8
499.34143	51.7
500.34528	1.9
517.35199	34.0
518.35736	1.9
531.37445	1.6
541.35565	4.4
595.36871	1.6
607.36041	1.8
625.38110	1.3
643.37927	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.4
55.01864	8.8
55.05496	13.2
57.03424	16.4
59.04991	1.5
59.29725	1.1
61.02906	3.6
65.03922	1.5
67.05495	56.7
69.03423	7.8
69.07060	26.4
71.04974	5.8
71.75258	1.3
73.02898	1.6
79.05483	43.3
81.03404	62.5
81.07043	53.1
83.04971	12.6
83.08609	9.7
85.02903	12.3
85.06546	2.1
86.09145	1.2
86.09679	1.4
91.05466	100.0
93.07028	55.4
95.04945	13.7
95.08592	33.1
97.02887	7.9
97.06512	13.9
97.10154	6.3
99.04442	2.2
99.08077	2.2
103.05412	2.4
105.07010	29.8
107.04949	9.7
107.08578	24.1
109.02884	2.3
109.06514	6.3
109.10143	24.9
111.04413	2.4
111.08076	4.2
115.05440	2.5
117.06996	16.2
119.08562	89.6
121.06480	7.6
121.10122	15.9
123.08056	5.1
123.11702	1.9
123.35615	1.2
125.00031	1.3
125.09568	7.2
127.03949	3.3
128.06219	1.9
129.05455	2.4
129.06958	7.4
131.08574	13.6
133.06451	1.7
133.10112	15.2
134.45129	1.2
135.08057	8.1
135.11664	7.9
137.09587	40.7
141.06992	2.2
143.08549	4.3
145.06424	2.1
145.10092	12.9
147.08032	10.2
147.11659	8.3
149.09621	12.2
149.13229	8.0
151.11180	2.8
153.09084	1.5
155.08545	2.8
157.10106	6.3
159.07971	2.1
159.11667	9.2
161.09584	1.8
161.13226	2.7
163.11148	6.6
165.09096	35.3
169.10117	2.8
171.11681	2.6
173.04477	2.3
173.09599	2.2
173.13263	3.3
175.11194	4.8
177.12727	4.6
183.10170	12.9
183.11656	2.6
184.07335	1.5
185.13257	1.9
187.11189	1.7
189.11165	2.0
191.14212	1.6
193.12164	1.7
195.13824	4.4
211.13210	2.9
227.12679	9.8
239.10382	1.5
239.12772	27.2
240.30907	1.4
241.14348	2.8
245.13759	1.5
247.20605	1.4
255.15747	7.5
257.13806	53.1
257.18918	8.6
267.15897	4.0
269.17447	18.6
275.20004	26.7
285.16888	1.5
293.21158	1.7
321.20602	2.7
341.21021	1.5
349.23663	21.7
367.24857	2.2
409.22339	1.5
411.23712	2.0
415.24655	2.3
419.24030	9.6
427.23242	3.2
433.25800	16.4
437.25342	10.1
451.26862	38.9
457.25449	2.2
513.31970	11.6
531.32959	19.4
549.33771	3.5
682.60156	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	10.7
55.01877	15.1
55.05501	27.6
56.10751	2.2
57.03424	31.3
59.04990	2.9
61.02901	6.0
65.03913	4.1
67.05494	66.4
69.03424	11.9
69.07058	55.9
69.27568	2.2
70.34151	6.9
70.34570	4.2
71.04971	10.3
79.05483	86.5
80.20579	2.6
81.03410	82.8
81.07043	78.5
83.04967	26.2
83.08610	32.5
85.02892	32.7
85.06537	5.7
86.09691	3.3
88.34621	2.9
91.05468	100.0
93.07030	74.9
95.04953	36.4
95.08595	38.8
97.02862	14.5
97.06513	25.8
97.10138	10.7
99.04486	3.2
99.08080	5.0
103.03962	2.6
103.05450	3.6
105.07024	58.9
107.04922	24.5
107.08574	41.4
109.02838	3.3
109.06512	14.0
109.10146	15.6
111.04440	4.3
111.08058	15.8
113.06012	2.7
115.05438	4.3
117.07012	22.0
119.08562	57.6
121.06490	8.7
121.10131	41.8
123.04456	2.9
123.08047	9.6
123.11672	4.1
125.09605	7.8
127.03925	4.3
127.07494	2.7
129.05518	4.8
129.06975	23.1
131.08551	45.6
133.06450	4.6
133.10094	35.7
135.08026	28.7
135.11617	4.7
137.06000	2.5
137.09584	21.8
139.11154	4.7
141.06932	4.8
142.07785	3.9
143.07025	12.5
143.08536	8.6
145.10097	30.6
147.07999	13.0
147.11668	24.1
149.09615	34.7
151.11183	8.2
155.08467	4.2
157.10114	19.0
159.11720	13.2
161.08194	3.7
161.09613	6.2
163.03831	4.4
163.11140	8.8
165.09105	11.5
165.12711	7.0
167.10646	6.3
169.08798	2.4
169.10101	10.9
173.09599	5.8
173.13228	4.2
175.11198	15.7
177.09094	3.4
183.10179	6.5
183.11705	6.0
185.13376	4.2
187.11137	3.8
187.14746	5.7
193.12207	56.5
199.09621	21.4
201.11209	8.3
201.16319	14.0
211.11212	4.1
211.13217	70.8
211.14851	8.6
213.16090	3.1
219.17438	3.4
223.13232	3.8
227.12698	16.5
229.15854	23.8
232.66125	2.8
239.12775	9.9
240.62576	3.2
241.14301	26.8
247.16898	27.0
257.13782	15.4
267.15878	36.4
269.17441	5.7
275.20090	8.4
285.16885	72.0
293.20801	2.7
303.19421	3.4
311.14706	4.5
321.20596	53.2
339.21640	4.3
345.13266	2.7
349.23801	4.9
365.08206	2.6
381.22906	2.7
393.22653	3.4
409.22186	2.8
411.23645	9.1
419.24243	6.0
433.25754	20.5
437.25131	9.3
451.26868	51.6
473.28918	3.1
507.21854	2.6
513.31946	31.8
531.33105	53.6
549.33936	9.3
595.31061	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86221	1.7
53.03926	6.1
55.01857	8.1
55.05505	19.1
57.03427	18.9
57.07046	2.1
61.02899	4.4
61.21009	1.7
65.03902	1.6
67.05492	54.7
69.03423	10.1
69.07055	26.7
69.53253	17.0
70.06561	1.9
71.04965	6.4
79.05479	39.3
80.05832	1.7
81.03406	58.5
81.07043	55.4
83.04974	10.4
83.08604	13.0
85.02889	15.9
85.06536	2.0
91.05466	100.0
93.07030	64.4
93.07639	2.2
95.04948	14.0
95.08588	35.5
96.74459	1.6
97.02874	6.0
97.06512	13.6
97.10153	3.6
99.08060	3.8
103.05421	2.1
105.07014	29.3
107.04924	7.2
107.08577	22.2
109.02850	2.8
109.06465	5.8
109.10135	20.2
111.08035	4.5
115.05428	2.2
117.06985	16.9
119.08562	85.8
121.06490	8.9
121.10132	15.9
123.08015	5.7
123.11703	2.8
125.09595	2.4
127.03840	2.1
129.06970	7.1
131.08557	14.8
133.10115	15.0
135.08025	5.9
135.11673	11.5
137.05984	1.6
137.09595	33.7
142.07867	2.0
143.08551	2.6
145.06500	2.4
145.10097	10.6
147.08032	12.4
147.11620	6.3
149.09596	10.0
149.13228	9.0
151.11235	1.9
157.10109	5.1
159.11694	9.9
161.13239	2.7
163.11220	5.5
165.09103	36.3
171.11639	2.5
173.11823	1.8
173.13222	3.5
175.11153	2.8
177.12759	3.7
179.14200	1.9
183.10185	12.3
184.07542	2.3
193.12318	2.2
195.13808	3.7
227.12630	3.9
236.52197	1.9
239.12762	26.2
247.16887	2.0
255.15923	8.2
257.13809	47.4
257.18958	3.4
267.15897	3.4
269.17438	30.4
270.73102	1.8
275.20010	15.6
285.16833	2.8
331.22430	2.1
349.23828	12.3
411.23709	3.1
415.24677	2.0
419.24103	7.7
433.25818	20.2
437.25388	9.4
451.26855	52.0
513.31836	8.4
531.33130	10.9
549.34210	3.2
769.38043	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.2
55.01863	13.6
55.05500	27.6
57.03429	48.4
57.07076	2.8
61.02922	6.5
65.03924	5.9
67.05495	65.9
69.03413	16.1
69.07057	37.0
70.09796	9.3
71.01353	2.9
71.04985	8.9
73.02904	4.0
79.05484	87.0
81.03408	92.6
81.07046	80.6
83.04971	29.2
83.08604	39.1
85.02898	35.5
85.06549	4.8
91.05470	100.0
92.05815	2.2
93.07033	75.9
95.04953	41.7
95.08598	41.4
97.02878	11.4
97.06521	17.8
97.10172	6.7
98.20737	2.1
99.04430	3.4
99.08074	3.6
103.05437	3.1
105.07017	52.1
107.04935	19.1
107.08576	34.5
108.08887	2.5
109.02921	2.7
109.06510	19.1
109.10157	13.2
111.04452	6.2
111.08069	15.8
113.06015	3.1
114.79734	2.1
115.05440	4.0
117.07001	20.8
119.08572	47.5
121.06513	9.0
121.10136	46.2
123.08035	13.6
123.11741	3.8
125.09623	10.8
127.03909	5.3
128.06210	5.2
129.05515	2.5
129.06984	22.6
130.07797	2.2
131.08546	45.8
133.06480	5.6
133.10115	37.5
135.08025	24.2
135.11583	3.0
137.09631	13.0
139.07608	2.4
139.11172	3.8
141.06944	4.0
142.07826	2.8
143.08556	7.9
145.06451	3.3
145.10106	26.4
147.08017	11.1
147.11662	25.8
149.09608	38.9
151.11151	5.3
153.09009	3.0
155.08542	5.3
157.10123	24.4
159.08006	4.0
159.11687	9.9
161.09612	4.7
163.11168	7.7
165.09116	7.6
165.12715	3.0
166.57106	2.2
167.10660	8.7
169.10123	9.8
171.11678	4.6
173.04504	2.7
173.09515	4.6
173.13196	3.8
175.11189	22.8
175.14793	3.3
177.09201	2.4
183.10178	2.7
183.11716	3.9
185.13255	4.1
187.11198	5.4
187.14835	7.4
193.12222	59.9
201.16360	9.7
203.17915	6.0
204.18413	2.9
211.13240	69.9
211.14803	5.9
219.17459	4.8
227.12753	24.7
229.15887	21.6
239.12785	7.6
241.14307	39.9
247.16919	23.5
257.13791	5.8
265.17960	3.7
267.15860	35.6
269.17465	2.8
275.20056	4.8
285.16916	70.1
303.19473	2.8
321.20560	33.1
339.21613	5.2
393.22452	3.0
393.53818	2.6
403.26346	2.5
415.24341	2.9
419.24091	7.0
433.25937	36.9
437.25253	24.7
451.26865	79.3
452.27283	3.8
494.70996	2.7
513.31885	11.9
531.33154	26.8
549.34314	5.8
693.37622	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.9
53.36011	2.8
55.01856	2.7
55.05505	28.1
55.29708	2.8
57.03429	14.4
57.07053	5.2
61.02911	17.0
62.99636	2.9
65.03927	3.9
65.85181	2.7
67.05497	83.3
69.03410	10.1
69.07068	22.2
71.04987	3.9
73.02898	8.4
78.90355	3.4
79.05486	89.8
81.03404	7.4
81.06596	5.8
81.07045	71.8
83.04952	6.6
83.08611	11.3
85.02905	15.5
85.06516	3.9
86.05956	2.5
88.07242	2.9
91.03928	9.0
91.05465	61.7
93.07034	94.2
95.04942	14.5
95.08592	56.1
97.02859	12.5
97.06480	4.5
98.21424	7.4
99.08122	5.3
103.05433	4.9
105.07022	61.7
107.08582	41.5
109.06452	4.5
109.10134	24.2
115.05415	3.0
116.90517	2.8
117.07014	25.9
119.08574	53.8
121.10130	47.3
123.11702	6.0
125.09597	3.1
129.06993	23.7
131.08572	36.2
133.10121	43.1
135.11668	23.8
137.09578	3.5
141.06847	3.0
142.07797	3.1
143.08549	20.2
145.10091	33.4
147.11679	35.2
149.09612	5.5
149.13226	13.0
151.58592	3.0
155.08517	8.3
157.10115	13.9
159.08017	3.4
159.11684	26.1
161.13257	22.1
163.14781	4.0
169.10115	9.5
171.11684	19.4
173.13248	22.5
175.14783	11.5
177.12759	3.9
181.10095	5.0
183.11659	8.8
185.13225	12.7
187.14816	9.5
195.11725	4.1
199.14809	9.8
201.16498	3.5
211.14822	3.2
213.16310	13.1
215.17906	9.3
217.15811	3.6
225.16418	3.4
231.17375	5.9
233.19002	5.7
237.06429	3.0
241.19539	18.6
251.18173	3.5
253.19353	3.9
257.18954	7.2
259.20490	30.7
261.22058	4.2
275.19965	4.9
305.21063	4.4
307.22632	71.0
315.23370	3.2
333.24213	27.8
335.25717	9.2
349.23813	3.5
351.24915	3.6
367.22546	3.6
491.38580	6.3
509.39822	4.5
527.10175	3.5
565.42450	10.3
581.41870	4.6
583.34772	5.4
583.43506	100.0
584.43207	3.6
607.44519	3.3
671.65570	3.3
709.45746	5.6
727.47223	7.0
745.48376	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
55.01862	4.8
55.05505	16.9
57.03426	9.2
60.02055	2.3
61.02911	13.9
67.05180	3.5
67.05497	44.6
69.03432	4.7
69.07070	13.9
71.04992	3.0
71.71306	3.5
73.02898	8.4
73.73227	2.6
75.69926	2.2
77.03952	2.6
79.05477	41.8
81.03389	5.2
81.07040	44.8
83.04949	3.5
83.08594	8.9
85.02887	16.3
85.06528	3.4
91.03947	9.7
91.05459	31.1
93.07032	33.1
95.04949	6.3
95.08595	32.3
97.02886	10.1
97.06530	3.9
97.10142	4.0
99.04457	3.1
105.07005	37.4
107.04917	2.5
107.08572	23.3
109.06502	5.5
109.10133	19.6
111.08083	2.7
117.07012	14.2
119.08555	30.4
121.10123	20.2
123.08071	5.4
123.11709	4.8
123.50661	2.3
127.03912	2.9
128.06200	3.4
129.06981	12.5
131.08542	28.2
133.10095	38.1
135.08066	4.3
135.11688	13.0
141.06947	3.9
142.07828	2.9
143.08540	17.6
145.10114	25.4
147.11658	24.5
149.09570	3.6
149.13258	6.5
155.08568	10.6
157.10107	16.5
159.11668	18.2
161.13237	6.8
169.10088	11.7
171.11665	19.6
173.13246	8.4
175.11145	2.8
175.14734	2.9
181.10143	4.7
183.11667	6.5
185.13219	14.5
185.62978	2.4
187.11243	2.5
187.14819	6.3
189.16364	2.9
195.11644	5.4
197.13281	7.3
199.14810	7.8
201.16336	5.6
203.17949	7.2
209.13156	3.3
211.14804	6.5
213.16374	23.7
215.17934	4.5
223.14703	4.3
225.16472	4.4
227.18109	4.4
229.15839	3.4
231.17445	28.6
233.19069	2.8
237.16492	3.0
239.99866	2.7
243.17554	2.9
248.42885	2.6
259.20615	3.4
276.02164	2.3
305.21057	8.2
307.22690	2.5
329.45886	3.2
335.25766	23.4
375.21445	2.6
410.26752	2.5
491.38873	6.6
501.58728	2.8
509.39618	4.2
513.35590	2.9
565.42596	9.3
583.43445	100.0
584.43829	3.8
600.11768	2.4
661.45007	2.8
673.44568	4.1
691.45392	3.0
709.46265	3.8
745.48303	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53305	1.5
56.96562	11.5
57.10209	1.7
57.59513	1.4
65.17354	1.4
67.43031	1.6
67.87290	1.5
69.03416	11.5
70.06577	2.6
70.76409	1.7
71.54401	3.5
77.12794	1.6
81.03414	9.8
81.03805	1.6
83.04959	2.1
84.96022	5.2
85.02894	21.0
87.00838	6.1
90.16653	1.6
95.04948	1.9
97.02884	12.8
98.97562	30.4
99.04489	2.0
103.03944	2.9
105.01879	4.9
109.02863	18.2
110.97536	1.9
111.04426	2.4
116.98599	32.0
127.03894	19.3
128.98557	4.2
131.00151	2.5
134.99644	23.6
137.05981	6.7
140.00208	1.9
143.00134	9.1
143.90041	1.7
145.04961	3.8
146.99614	2.9
151.03903	4.4
153.00729	4.6
158.01299	2.1
158.99727	2.5
161.01230	7.7
162.19257	2.0
167.07057	2.7
169.04930	6.0
170.99701	3.9
173.01250	4.0
177.00668	8.8
177.14429	1.6
185.01288	2.5
187.05786	2.3
187.93086	1.7
189.00751	6.9
189.03951	5.3
193.04977	2.8
194.99704	5.2
195.01689	1.9
200.38106	2.0
201.00764	5.8
203.02303	4.0
209.01305	2.7
213.00731	6.6
213.03897	3.1
219.01628	9.0
223.02856	2.8
229.00227	2.4
231.01730	3.0
231.04985	3.1
237.00761	3.1
237.02873	9.8
244.02542	12.2
255.01746	11.5
261.02945	5.3
262.03671	7.2
268.02637	3.0
270.04041	31.5
273.02829	8.7
273.06076	11.9
285.06393	9.0
286.03647	7.5
288.05103	22.3
294.03970	2.5
303.07556	7.9
309.06412	9.9
312.05273	3.5
313.05716	2.6
325.06000	5.9
327.07489	32.2
338.52414	1.8
339.07169	2.4
345.08679	3.2
350.09006	2.5
351.07642	3.6
357.08435	2.1
363.07513	6.9
366.06061	2.0
370.05823	3.5
372.05350	4.1
381.08588	9.6
387.07532	3.5
387.14603	2.3
388.06894	2.4
393.08698	3.5
397.80695	2.0
405.08508	8.6
411.09961	3.3
429.10495	10.5
435.09753	2.2
439.42285	2.1
453.11108	27.5
461.09177	2.4
471.11725	46.5
489.12985	3.3
494.13504	5.3
495.11646	6.7
497.10510	65.1
513.12585	9.1
572.09589	1.9
615.15576	2.7
657.17859	29.4
659.15491	7.5
701.16815	49.8
727.15259	2.2
745.15802	100.0
746.16589	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.5
55.01860	3.5
55.05505	29.5
57.03430	15.3
57.07061	5.3
58.11048	1.5
61.02916	16.6
64.64197	1.5
65.03931	6.2
67.05497	82.2
69.03420	11.2
69.07063	23.7
70.19592	8.6
71.04978	6.0
73.02906	7.3
79.05482	86.4
81.03399	8.9
81.07048	76.7
83.04979	3.5
83.08604	12.6
85.02908	17.1
85.06516	3.4
91.03944	7.2
91.05469	68.6
93.07033	100.0
95.04958	11.0
95.08599	51.7
97.02888	15.9
97.06513	5.4
97.10154	4.0
99.04422	1.8
99.08069	5.5
101.02362	2.2
103.03944	2.0
105.04468	2.1
105.07020	66.9
107.08578	43.3
109.02854	1.8
109.06506	4.7
109.10155	22.5
111.08092	3.2
115.05444	3.4
116.06236	1.7
117.07002	21.3
119.08572	54.4
120.08899	1.8
121.10132	45.0
121.10972	3.5
123.08075	3.9
123.11707	7.5
123.66995	1.6
125.09677	2.2
127.03899	2.6
129.05479	1.9
129.06992	16.0
130.07767	1.9
131.08559	40.8
132.60185	2.1
133.10112	48.9
135.08095	2.5
135.11679	24.0
137.09641	2.4
137.13266	1.7
139.11163	1.8
141.06982	6.6
142.07773	4.2
143.08542	20.1
144.09335	3.3
145.06430	2.0
145.10121	36.7
147.07976	3.6
147.11662	35.3
149.09627	5.5
149.13260	16.5
151.11180	2.5
155.08505	8.1
156.09349	2.0
157.10135	18.5
159.08041	2.4
159.11664	29.6
161.13222	25.4
163.11165	4.6
163.14845	4.8
165.06903	2.4
167.08577	3.4
169.10072	8.2
171.11678	24.1
173.13232	21.4
175.11194	3.1
175.14778	10.1
177.12836	3.1
177.16472	2.2
181.10089	5.8
183.11647	9.8
185.13234	16.5
187.11192	2.4
187.14818	10.3
189.12683	2.8
189.16313	3.3
191.14285	1.8
193.10172	2.7
195.11745	5.1
197.13295	7.9
199.14761	7.6
201.16341	4.8
203.14258	2.0
203.17900	2.8
209.13232	6.1
211.14792	5.1
213.16431	10.4
215.17978	10.3
223.14749	4.8
225.16441	3.2
231.17413	7.7
231.21011	4.9
233.18977	5.1
237.16473	2.3
238.13425	1.8
239.17914	3.5
241.19531	20.3
249.16364	2.2
257.18839	8.5
259.20560	36.8
275.19754	2.0
289.21655	2.7
301.21552	3.6
305.21130	5.7
307.22647	65.1
309.24289	3.3
310.88547	1.7
313.21582	2.3
315.23120	3.6
325.21655	3.1
333.24197	22.3
335.25726	6.1
353.28412	1.9
367.22580	3.9
401.36084	1.8
441.26401	1.9
491.38907	7.1
513.35077	2.0
565.42139	10.0
581.41711	4.7
583.43500	87.1
584.44141	4.0
649.44446	1.8
661.44104	2.2
673.43958	3.4
691.45251	4.4
709.46222	3.2
727.47797	3.9
745.48608	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
53.36024	3.2
55.01867	15.5
55.05507	29.9
57.03429	28.4
61.02919	4.5
65.03934	4.0
67.05497	61.6
69.03421	15.5
69.07061	55.7
70.65974	6.5
71.04976	7.3
79.05483	100.0
81.03405	50.3
81.07048	73.9
83.01335	5.8
83.04969	21.0
83.08604	28.2
85.02883	23.8
85.06517	2.4
86.06062	3.5
86.09704	4.6
91.05470	90.4
92.51488	2.4
93.07036	91.5
95.04959	30.7
95.08593	49.3
97.02889	11.4
97.06529	23.3
97.10149	5.4
98.21420	3.0
99.04475	5.0
99.08110	3.4
105.07021	53.8
107.04963	24.7
107.08585	47.1
109.02877	2.6
109.06498	17.7
109.10151	11.0
111.04439	4.6
111.08069	9.6
115.05460	6.8
117.07006	33.6
119.08568	60.1
121.06498	8.6
121.10136	56.4
123.08060	23.7
123.11722	4.1
125.05991	4.5
125.09595	6.4
127.03878	4.7
128.06219	5.0
129.06987	17.3
131.08548	46.8
133.06482	8.1
133.10107	29.8
135.08049	29.5
135.11690	9.4
137.09644	10.6
141.09079	4.4
143.07062	7.9
143.08531	13.1
145.06467	3.3
145.10118	29.7
147.08038	21.1
147.11649	15.0
149.09593	35.6
151.07535	8.4
151.11134	4.9
151.27789	2.4
153.09103	4.7
155.08507	4.3
157.10121	23.2
159.11684	10.2
161.09647	7.6
163.03764	2.4
163.07509	9.0
163.11179	16.4
165.09157	7.2
165.12778	3.2
167.10648	5.1
169.10139	3.4
171.11725	6.6
173.09601	4.8
173.13196	5.4
175.11125	12.0
177.09109	5.1
179.10722	3.0
181.08504	3.3
181.12181	4.7
183.11714	4.9
184.07349	10.7
185.13254	5.5
187.11160	5.6
187.14822	3.8
189.16377	8.3
191.14355	3.1
193.12230	26.5
199.09624	14.8
199.14755	15.1
201.16389	6.6
209.11656	5.3
211.13242	43.8
211.14824	3.0
217.15871	14.6
225.11224	9.6
227.12491	16.6
229.15863	10.3
239.12811	6.3
241.14334	19.5
245.15384	20.4
247.16931	10.5
255.12166	26.4
263.16422	12.9
267.15851	27.3
269.17520	4.7
275.20004	9.0
283.15387	48.2
285.16922	47.6
290.76297	2.6
311.14960	8.0
319.18866	5.4
321.20532	12.6
337.20041	41.1
349.23605	5.5
356.91287	2.6
409.21616	3.6
435.23700	15.1
449.25250	54.6
489.28104	3.0
511.30640	5.0
529.31610	46.1
547.32623	60.0
652.82837	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.4
55.01862	10.2
55.05499	12.1
57.03431	11.0
57.07070	2.2
59.75760	1.2
61.02904	3.2
65.03923	2.9
67.05496	65.9
69.03423	6.6
69.07060	17.7
69.86611	5.9
71.04983	6.8
77.03900	1.4
79.05485	36.3
81.03407	45.3
81.07047	54.7
83.04974	9.7
83.08610	6.7
85.02895	9.8
85.06529	3.4
86.09678	6.0
91.05469	100.0
92.05809	2.0
93.07027	47.8
95.01321	1.7
95.04943	14.0
95.08596	27.9
97.02876	4.2
97.06526	6.8
97.10127	3.1
99.08035	1.6
103.05446	1.9
104.62923	1.2
105.07019	40.1
107.04912	7.8
107.08576	32.4
109.06492	9.0
109.10143	51.1
111.08088	2.7
113.06018	2.7
115.05453	3.2
115.07574	1.7
117.07004	10.9
119.08570	67.8
120.08940	1.6
121.06480	13.5
121.10132	10.7
123.04381	2.1
123.08062	5.9
123.11725	8.0
123.74683	1.2
125.00021	2.6
125.09617	2.0
127.07544	3.2
129.05402	1.5
129.06989	6.9
131.08549	13.1
133.06476	4.2
133.10112	63.2
135.08023	9.2
135.11662	5.2
137.09596	29.8
143.08582	4.4
145.06448	2.5
145.10062	8.8
147.08051	11.9
147.11682	4.7
149.09598	8.8
149.13208	1.3
151.11176	24.6
153.94092	1.4
155.08549	1.8
157.10141	3.6
159.08044	2.8
159.11708	2.6
161.09583	7.5
161.13199	2.6
163.07582	2.8
163.11058	2.4
165.06996	1.4
165.09113	27.2
169.12270	6.0
171.11610	3.1
175.11169	4.6
177.09135	3.9
183.10176	15.2
183.11714	2.0
184.07315	12.6
187.11209	1.6
196.08754	1.6
199.11235	1.5
213.43089	1.4
215.12688	3.2
227.12672	1.9
227.17966	1.7
239.12712	18.2
245.15422	1.4
245.18979	3.7
253.14325	83.0
254.14642	1.8
255.12128	2.0
255.17554	1.8
257.13818	39.2
258.14218	1.6
258.27869	2.1
263.20212	2.7
269.13907	1.9
271.15430	5.2
273.18481	20.6
283.15295	2.1
291.19479	16.8
309.20584	1.7
347.22174	8.8
365.23199	21.9
374.31592	1.5
417.22693	1.7
435.23697	17.6
453.24808	18.7
511.30573	3.1
529.31512	11.8
547.32623	32.2
548.33215	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56030	0.6
56.65522	0.5
63.19998	0.5
67.65765	0.5
71.73197	0.8
72.65625	0.6
82.99856	1.3
85.02893	0.8
92.45486	0.5
94.92998	1.6
97.02850	0.9
101.00876	3.2
109.02883	0.8
112.89586	5.2
113.00854	0.8
114.89350	2.9
119.01913	10.0
131.01880	3.1
136.98502	2.1
137.02951	1.9
143.01886	12.3
145.03465	6.6
147.01369	0.7
149.02908	1.1
154.99698	0.9
155.01855	12.3
157.03455	4.1
161.02946	16.4
163.04491	1.6
167.01846	5.7
169.03468	2.5
171.05040	1.7
173.02948	21.1
175.04541	1.2
178.99449	0.8
179.01947	1.9
184.04515	1.1
185.02939	31.3
186.03035	1.0
187.04514	3.2
191.03938	0.7
196.04584	1.2
197.00659	2.2
197.02939	12.1
199.04497	1.1
203.03972	9.0
207.00479	0.6
208.04599	1.3
209.02954	0.9
215.03981	8.5
221.00961	0.7
221.05009	1.6
227.04002	6.5
233.05074	1.1
239.01663	5.7
239.03865	0.9
245.05052	100.0
246.05292	2.7
248.89618	2.6
250.89546	1.7
257.02658	4.9
257.05087	5.7
259.74384	0.7
263.06119	13.3
268.98483	0.8
275.06100	9.0
286.07663	2.3
293.07111	2.7
305.07141	10.6
306.07263	0.8
322.82672	0.6
324.82660	3.5
326.82385	2.1
335.08179	4.9
347.08066	1.7
355.91537	0.6
365.09244	33.5
366.09372	1.3
383.10437	1.4
400.75980	0.8
401.06946	27.0
402.06906	1.1
419.07935	1.8
425.11368	33.7
426.11703	0.8
437.11298	1.4
455.12439	4.1
479.21841	0.7
485.13425	3.4
527.14679	0.8
543.12842	0.7
749.00714	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01861	1.8
55.05262	0.8
55.05505	10.3
57.03431	5.3
57.07055	1.8
61.02920	18.2
65.03932	1.2
67.05498	23.0
68.52993	0.4
69.03082	0.8
69.03424	9.8
69.06680	0.6
69.07059	11.1
69.94733	3.1
71.01341	1.5
71.04974	2.4
71.08637	0.9
73.02907	10.2
73.06538	0.8
79.05485	15.9
81.03403	5.0
81.07047	21.2
81.07534	1.0
83.04977	1.7
83.08613	4.5
85.02896	14.3
85.06518	1.4
87.04454	0.9
91.03944	9.4
91.04906	1.0
91.05467	15.4
93.07031	16.1
95.04960	2.8
95.08596	16.9
96.57742	0.6
97.02882	12.7
97.06493	3.0
97.10152	2.0
98.21346	0.9
99.04456	0.8
99.08096	1.3
101.02366	2.4
103.05433	0.7
105.07023	14.2
107.04927	1.4
107.08576	10.2
109.02858	1.7
109.06506	2.0
109.10137	7.4
111.08075	1.3
115.03930	1.4
115.05463	1.3
117.07006	8.1
119.08566	12.0
121.06453	0.5
121.10125	7.0
123.08047	1.6
123.11702	1.9
125.09606	1.1
127.03899	2.9
128.06218	2.6
129.06989	9.9
131.08554	11.9
133.10109	8.3
135.08057	1.3
135.11649	4.2
137.09627	0.7
137.13251	0.7
141.06950	6.3
142.07802	2.5
143.06938	0.6
143.07332	0.7
143.08537	11.6
144.46786	0.6
145.04906	0.7
145.10109	11.8
147.08041	0.7
147.11670	5.0
149.09595	1.6
149.13269	2.3
151.11134	0.6
153.07002	2.1
154.07791	1.1
155.08545	10.1
156.09331	1.4
157.10101	12.2
158.10670	0.9
159.11674	8.9
161.09557	1.0
161.13235	3.1
163.11136	0.8
163.14835	1.0
164.65666	0.6
165.07016	1.9
165.12759	0.6
166.07793	1.3
167.08539	5.3
168.09309	1.3
169.10112	12.2
170.10951	1.0
171.11674	11.1
173.13226	5.3
175.11217	0.5
175.14809	1.9
177.16333	0.6
179.08517	2.3
180.09300	1.2
181.10095	8.6
182.10892	1.6
183.11659	13.2
184.12209	0.7
185.13228	7.1
187.11169	0.6
187.14827	3.1
189.16432	1.0
191.14200	0.5
193.10153	3.1
193.11781	0.5
194.10809	1.0
195.11664	9.1
196.12436	0.9
197.13222	10.4
197.14905	0.8
199.11458	0.7
199.13231	1.0
199.14803	5.3
201.16367	1.5
205.10143	1.3
206.10840	0.8
207.11668	3.6
208.12460	0.9
209.13237	7.3
210.13986	1.0
211.11264	0.7
211.13162	0.7
211.14827	6.8
213.16451	3.8
215.17900	0.8
219.11772	1.6
221.13261	4.4
223.14841	5.2
224.15746	0.6
225.12776	0.6
225.16417	4.3
227.14432	0.6
227.18002	2.1
229.15974	0.7
229.19595	0.9
231.11859	0.6
233.13268	1.5
235.14764	3.8
237.16341	4.0
239.17946	2.8
241.19772	0.8
247.14796	1.5
249.16449	2.0
251.17972	3.1
253.19537	1.7
255.21005	0.8
261.16293	1.1
263.17960	1.0
265.19479	1.4
267.21051	0.7
269.18973	1.0
275.17865	0.6
277.19550	1.5
279.20926	1.0
283.20657	0.7
285.16830	0.5
289.19455	0.9
291.17474	0.6
291.20798	1.1
293.19168	1.0
295.20224	0.7
297.22275	0.9
299.20090	0.7
307.20438	0.7
309.22223	0.8
311.20175	0.6
311.23749	0.8
319.20337	0.7
323.23666	0.8
336.26218	0.7
337.25287	1.0
339.23163	1.1
339.26843	0.7
341.24905	1.2
349.25208	0.8
351.23044	0.9
351.26956	1.5
353.24686	0.9
363.26920	1.3
365.28619	0.7
367.26276	0.7
377.28528	1.2
381.27963	0.8
391.29959	0.8
401.27661	0.7
419.29269	1.7
421.31137	0.8
471.36340	1.5
473.32800	0.8
483.34924	0.8
487.34863	0.9
489.37283	8.8
495.34302	0.5
499.34149	0.6
501.36423	0.8
507.38562	3.3
511.34329	2.1
513.35944	1.5
539.37457	1.0
545.39063	1.1
546.38855	1.4
563.40979	6.1
579.40350	1.6
581.41931	100.0
582.42261	4.9
583.43524	0.9
593.41608	1.5
647.43134	0.9
671.42517	0.8
689.43903	0.6
707.45007	1.1
725.46124	1.5
743.47223	16.1
744.47186	0.8
749.92407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.9
55.01860	5.0
55.05502	29.4
57.03162	1.9
57.03429	27.6
57.07059	1.4
59.04979	2.1
60.66639	1.5
61.02908	5.7
65.03929	4.1
67.05493	78.4
69.03413	7.3
69.07051	18.3
69.61216	11.6
69.61626	2.8
71.04977	7.4
71.08611	2.0
74.96897	1.3
77.03930	2.0
79.05481	61.1
80.05827	2.1
81.03405	70.4
81.07044	79.8
82.03773	1.9
83.04962	19.0
83.08155	2.5
83.08609	30.7
85.02890	29.5
85.06516	3.2
91.03911	1.7
91.05469	55.0
92.05798	2.0
93.07030	56.6
95.04958	33.9
95.08591	50.0
97.02888	7.3
97.06496	7.1
97.10170	7.5
99.08085	3.2
105.04536	2.2
105.07014	40.7
107.04946	8.2
107.08573	25.9
109.06500	8.4
109.10134	18.7
111.04456	1.7
111.08065	14.3
113.05992	2.9
115.05424	3.1
117.07001	6.4
119.08560	32.1
121.06452	2.0
121.09341	2.8
121.10131	24.1
123.08041	4.7
123.11700	7.0
125.09615	2.3
126.41447	1.4
128.06198	1.8
129.06996	13.6
131.08551	24.5
133.06456	2.4
133.10107	21.2
135.11664	11.7
137.09619	4.9
140.89828	1.3
142.07758	4.6
143.08539	2.9
145.10144	10.1
147.08017	2.3
147.11681	24.8
149.09592	8.9
149.13257	2.9
151.11281	1.8
157.10107	17.4
159.11679	5.7
161.13330	3.0
163.11217	2.2
163.14841	2.6
165.12715	4.8
171.11707	2.1
173.13220	2.8
175.11176	18.0
187.14822	2.4
189.11191	1.6
193.12209	58.4
211.13257	98.8
212.13580	1.8
224.54793	1.5
227.12712	2.0
227.20137	2.0
243.21049	3.2
261.22125	12.1
267.15845	18.4
277.21606	1.8
285.16931	93.5
286.17313	3.2
307.22836	2.1
317.24780	2.9
335.25757	85.1
336.26016	4.0
453.33365	2.5
527.37256	10.1
545.38330	100.0
546.38739	9.0
581.41876	3.9
766.31519	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.9
55.01860	5.0
55.05502	29.4
57.03162	1.9
57.03429	27.6
57.07059	1.4
59.04979	2.1
60.66639	1.5
61.02908	5.7
65.03929	4.1
67.05493	78.4
69.03413	7.3
69.07051	18.3
69.61216	11.6
69.61626	2.8
71.04977	7.4
71.08611	2.0
74.96897	1.3
77.03930	2.0
79.05481	61.1
80.05827	2.1
81.03405	70.4
81.07044	79.8
82.03773	1.9
83.04962	19.0
83.08155	2.5
83.08609	30.7
85.02890	29.5
85.06516	3.2
91.03911	1.7
91.05469	55.0
92.05798	2.0
93.07030	56.6
95.04958	33.9
95.08591	50.0
97.02888	7.3
97.06496	7.1
97.10170	7.5
99.08085	3.2
105.04536	2.2
105.07014	40.7
107.04946	8.2
107.08573	25.9
109.06500	8.4
109.10134	18.7
111.04456	1.7
111.08065	14.3
113.05992	2.9
115.05424	3.1
117.07001	6.4
119.08560	32.1
121.06452	2.0
121.09341	2.8
121.10131	24.1
123.08041	4.7
123.11700	7.0
125.09615	2.3
126.41447	1.4
128.06198	1.8
129.06996	13.6
131.08551	24.5
133.06456	2.4
133.10107	21.2
135.11664	11.7
137.09619	4.9
140.89828	1.3
142.07758	4.6
143.08539	2.9
145.10144	10.1
147.08017	2.3
147.11681	24.8
149.09592	8.9
149.13257	2.9
151.11281	1.8
157.10107	17.4
159.11679	5.7
161.13330	3.0
163.11217	2.2
163.14841	2.6
165.12715	4.8
171.11707	2.1
173.13220	2.8
175.11176	18.0
187.14822	2.4
189.11191	1.6
193.12209	58.4
211.13257	98.8
212.13580	1.8
224.54793	1.5
227.12712	2.0
227.20137	2.0
243.21049	3.2
261.22125	12.1
267.15845	18.4
277.21606	1.8
285.16931	93.5
286.17313	3.2
307.22836	2.1
317.24780	2.9
335.25757	85.1
336.26016	4.0
453.33365	2.5
527.37256	10.1
545.38330	100.0
546.38739	9.0
581.41876	3.9
766.31519	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
54.39079	1.5
55.01853	7.8
55.05505	17.8
57.03431	12.3
61.66926	1.5
65.03924	2.9
67.05499	47.3
69.03430	4.4
69.07059	16.7
70.59919	2.0
71.04992	3.5
71.74928	3.1
78.22282	1.5
79.05482	40.9
81.03409	21.6
81.07045	41.7
83.04976	13.9
83.08594	8.3
85.02899	5.2
85.06521	5.1
89.05914	2.0
91.05470	100.0
93.07034	34.4
95.04956	15.4
95.08591	21.8
97.02881	7.5
97.06512	11.6
97.10155	4.0
105.03365	2.0
105.07020	39.2
107.04942	13.8
107.08575	24.9
109.02865	3.3
109.06508	4.6
109.10140	6.8
111.08070	2.9
115.05403	1.7
117.07006	15.2
119.08569	24.0
121.06452	1.7
121.10159	12.8
123.08014	3.8
123.11718	2.1
125.09622	4.4
127.03922	4.0
128.06180	3.8
129.05469	1.6
129.07007	6.5
131.08571	19.5
133.06459	1.9
133.10117	39.2
135.08073	8.5
135.11714	8.7
139.07620	1.7
141.06958	2.6
143.08583	8.1
145.10139	10.9
147.08055	2.3
147.11699	7.8
149.09608	17.8
149.13258	5.4
151.11201	5.2
153.09145	2.3
157.10155	3.3
159.11664	7.4
161.09598	12.3
163.11157	7.2
171.11687	4.1
173.13216	3.6
175.11183	3.5
179.10600	9.7
184.07355	5.8
187.14845	1.9
189.11191	2.1
195.13785	2.6
207.13867	2.0
222.94183	1.5
225.11099	2.7
227.12747	4.4
229.19551	2.1
238.65504	2.0
253.14325	64.6
255.12340	3.3
255.15857	4.8
257.19034	5.0
269.17441	12.4
275.20032	21.2
281.17499	4.1
291.19556	4.5
321.20566	1.9
349.20093	2.0
349.23740	12.5
365.23209	2.6
371.60092	1.9
406.11346	1.7
407.24222	2.1
423.23639	4.1
431.28214	2.1
433.25916	12.4
433.38397	1.8
447.27328	37.9
487.30942	3.9
527.33533	16.3
545.30835	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.9
55.01857	10.6
55.05503	20.1
57.03425	18.5
59.13720	2.3
61.02920	4.8
64.18366	2.2
65.03938	3.8
67.05499	65.1
69.03418	7.1
69.07066	28.0
69.70349	19.5
71.04983	6.5
78.54546	2.5
79.05483	76.5
81.03419	19.1
81.07050	66.2
83.04950	13.7
83.08605	12.7
85.02895	6.9
85.06538	5.7
91.05472	98.9
92.29826	2.2
93.07037	71.6
95.04957	22.7
95.08589	33.5
97.02890	7.1
97.06519	17.5
97.10183	2.9
98.20591	4.4
99.47461	2.4
105.07017	58.8
107.04950	17.6
107.08582	32.6
108.88123	2.0
109.06520	9.0
109.10130	10.3
111.08076	4.5
117.07003	21.6
119.08566	31.5
121.06495	3.6
121.10143	22.3
123.08054	10.5
123.11714	4.7
125.09590	3.0
127.03964	2.8
128.06219	3.4
129.07008	13.1
131.08565	21.3
133.06476	3.2
133.10123	38.7
135.08047	12.4
135.11682	9.5
137.09645	3.6
137.96466	2.3
139.11206	2.6
143.08545	8.3
145.10106	23.3
147.07982	3.9
147.11655	19.5
149.09602	20.8
149.13254	5.5
151.07544	5.1
151.11172	5.7
155.08609	4.5
159.11656	9.3
161.08414	3.1
161.09593	17.6
161.13297	7.3
163.11179	9.1
169.10120	5.8
171.11702	9.1
173.13275	4.0
177.12718	2.7
179.10648	4.9
181.10081	2.6
183.11659	3.5
184.07307	4.4
187.11226	2.6
187.14803	3.1
189.12761	8.8
199.09660	3.7
201.16364	7.5
207.13800	10.8
211.14871	4.0
225.11397	3.3
225.14873	3.9
227.12735	5.5
229.15883	10.0
241.14339	9.7
247.16966	10.5
253.14302	42.3
255.15900	3.1
267.15750	3.4
269.17444	15.0
275.20081	10.6
281.17410	35.2
317.55676	2.5
321.20554	13.4
328.61136	2.4
349.23825	3.5
433.25934	20.7
447.27386	100.0
527.33685	23.9
545.34930	7.3
580.40875	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.6
55.01883	6.7
55.05502	29.4
57.03432	14.3
57.07049	4.9
61.02919	16.9
65.03924	4.8
67.05500	60.8
69.03422	35.8
69.07064	32.5
71.01340	4.6
71.04977	8.9
71.74930	4.8
71.75296	4.3
73.02906	13.4
74.46098	3.2
79.05480	59.1
81.03403	36.5
81.07051	64.4
83.04977	13.6
83.08597	14.3
85.02903	20.8
85.06557	5.2
91.03943	6.3
91.05473	61.4
92.41354	2.9
93.07040	48.7
95.04980	17.8
95.08601	46.7
96.77655	3.6
97.02866	18.2
97.06522	10.7
97.10159	5.0
99.04446	8.0
101.02387	5.3
105.07017	35.8
107.04939	8.4
107.08577	31.7
109.02840	8.8
109.06514	9.6
109.10130	14.3
111.04490	3.6
115.05484	4.3
117.06979	29.5
119.08578	34.2
121.06521	6.3
121.10140	20.7
123.08070	7.5
125.09614	5.5
127.03915	9.3
128.06207	8.2
129.05508	3.9
129.06993	25.1
131.08545	33.2
133.06499	5.0
133.10118	27.9
135.08047	9.2
135.11668	11.9
137.09608	5.1
139.11185	3.0
141.06995	16.1
142.07788	4.7
143.08546	31.7
145.06520	5.6
145.10123	33.3
147.08011	5.3
147.11697	19.0
149.09630	11.9
151.11183	4.5
153.07018	4.6
154.07724	6.8
155.08521	20.5
157.10123	23.5
159.11652	17.4
161.09653	4.4
161.13260	7.5
163.11172	7.0
165.07043	5.2
166.07790	3.5
167.08504	14.6
169.10089	19.6
171.11687	15.7
173.04457	9.1
173.09598	5.7
173.13254	11.4
175.11281	5.9
175.14851	4.0
178.07768	5.2
179.08549	8.5
181.10104	17.3
182.10785	3.3
183.11671	20.8
184.07355	4.6
185.09494	3.2
185.13281	12.1
187.11166	5.3
187.14827	4.3
191.08600	4.8
193.10132	11.4
195.11633	18.8
197.13261	15.1
199.14801	7.6
201.16374	6.2
205.10117	4.6
207.11685	16.0
209.13246	11.1
211.14786	8.8
219.11647	7.0
221.13188	12.1
223.14822	10.2
225.16402	7.0
229.15845	7.0
231.11609	3.8
233.13268	3.6
234.13995	3.6
235.14648	5.9
237.16397	11.8
239.17952	3.4
247.14748	5.7
247.16974	10.3
249.16347	4.0
251.14156	3.9
251.17935	4.0
257.18860	3.6
261.16409	4.8
263.17813	3.8
279.20966	3.5
299.31570	4.1
313.21460	5.7
321.20697	4.2
322.64865	3.3
325.21536	3.8
339.23401	4.3
367.05157	3.1
367.22482	5.0
403.25961	3.1
409.30588	3.3
467.98267	3.2
485.32578	6.7
487.35577	11.9
497.32761	3.6
505.36429	4.4
509.32477	5.3
561.39594	5.6
565.68085	3.2
579.32092	5.9
579.40454	100.0
597.40900	2.9
705.43787	10.0
723.44733	6.1
741.45654	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.7
55.05505	18.7
55.15157	3.9
55.47624	4.5
57.03424	12.1
67.05492	47.0
69.03407	5.9
69.07064	27.5
71.04977	4.8
71.74884	6.3
71.75284	5.5
79.05482	37.0
81.03410	22.7
81.07051	43.0
83.04974	16.2
83.08606	9.6
86.09697	4.5
91.05471	100.0
92.05852	4.2
93.07030	31.3
95.04967	13.2
95.08587	19.1
97.02887	12.1
97.06530	8.2
97.10146	10.8
105.07012	39.5
107.04934	21.4
107.08556	22.0
109.06512	6.6
109.10132	10.6
117.06994	14.1
119.08572	34.5
121.06451	6.1
121.10132	11.7
123.08057	8.7
123.69744	4.3
125.09608	7.6
129.06882	4.1
131.08525	19.1
133.10100	31.5
135.08054	7.2
135.11729	6.7
137.09544	5.1
143.08559	6.0
145.10080	9.3
147.07991	6.6
147.11702	5.1
149.09581	9.2
159.11700	4.8
161.00008	3.5
161.09608	15.8
169.10028	3.6
175.11130	4.0
179.10660	11.4
184.07384	7.7
189.11256	5.9
213.85437	4.7
223.13271	16.5
253.14336	75.5
269.13684	5.7
273.18478	16.3
275.20343	6.0
288.41666	4.1
291.19495	89.7
306.27896	7.3
330.19882	3.7
365.23166	32.3
393.22195	4.9
449.25671	5.3
543.33105	93.7
544.33160	10.2
696.12134	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01868	7.3
55.05504	24.0
57.03424	9.3
59.74277	2.5
65.03941	4.3
66.09258	2.8
67.05491	42.8
69.03413	9.1
69.07060	25.2
70.65139	3.3
70.65490	8.6
71.86777	2.9
79.05481	38.4
81.03412	18.4
81.07043	40.9
83.04971	14.8
83.08613	12.8
85.02892	4.0
91.05468	88.0
93.07030	23.8
95.04964	13.4
95.08620	15.9
97.02898	11.6
97.06524	7.7
97.10157	10.5
103.03921	2.7
105.03358	2.9
105.07022	41.9
107.04967	16.7
107.08588	23.5
109.06514	4.2
109.10159	8.8
111.08085	4.7
117.07004	17.4
119.08553	25.5
121.06490	5.8
121.10126	8.3
123.04403	3.3
123.08054	3.9
123.11688	3.6
124.04874	2.7
125.09641	10.6
129.06981	6.1
131.08542	14.5
133.06453	5.7
133.10106	33.6
135.08015	7.4
137.09581	4.9
142.07768	2.9
143.08580	6.0
145.10106	6.6
147.08022	8.3
147.11682	5.7
149.09618	10.8
149.38995	2.8
151.11133	4.7
157.10129	4.3
161.09572	16.2
171.11612	3.4
175.11221	5.1
179.10669	9.9
184.07248	5.4
189.11227	4.2
197.40686	2.5
223.13278	12.8
227.12717	5.9
253.14336	70.4
267.16165	3.1
273.18436	16.5
277.28549	2.9
291.19522	89.5
337.27853	3.5
365.23196	35.9
423.23859	3.3
445.25903	3.6
524.22186	3.2
543.33112	100.0
544.33301	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01863	3.0
55.05501	17.9
57.03428	7.9
57.07048	1.3
63.98042	1.1
65.03922	2.6
67.05495	52.2
69.07057	12.9
71.04982	3.5
73.02900	2.0
77.76028	1.0
79.05484	35.3
81.03412	2.7
81.07044	51.4
83.04971	2.7
83.08608	9.2
91.05463	19.0
93.07030	45.2
95.04966	7.2
95.05489	1.1
95.08594	54.1
97.02876	3.3
97.06528	3.0
97.10151	2.2
99.04446	3.0
105.07028	12.3
107.04922	6.1
107.08578	31.4
109.06512	3.2
109.10137	13.7
111.08052	2.4
117.07015	7.9
119.08568	13.4
121.06488	3.7
121.10117	22.3
121.10959	1.5
123.11665	3.6
125.05970	2.3
131.08565	5.1
133.10115	6.2
135.08064	1.8
135.11667	42.9
139.07492	1.2
139.14128	1.0
145.10104	21.7
147.11681	4.3
149.13223	3.0
153.12701	1.3
159.11702	2.4
161.13168	1.8
163.11160	45.0
163.14819	2.2
173.13304	2.0
175.14870	1.5
181.12164	8.4
184.07303	1.8
209.11682	1.5
227.12740	61.9
243.21115	1.6
261.22083	10.1
283.15369	52.8
305.10532	1.2
306.27832	5.0
317.24451	2.1
335.25757	100.0
336.26199	2.4
337.27368	2.4
381.15027	1.0
438.18033	1.2
478.64996	1.3
543.36731	75.8
544.37067	3.7
599.41150	1.8
599.50244	23.7
660.86389	1.4
691.30219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
54.36420	1.3
55.01867	2.5
55.05505	18.2
57.03434	9.5
57.07056	1.5
67.05499	41.4
69.03414	2.1
69.07059	14.5
69.50974	7.3
69.51414	5.2
71.04982	3.9
77.29179	1.4
79.05486	37.6
81.03415	3.0
81.07049	37.4
82.76424	1.3
83.04971	4.8
83.08614	9.1
91.05476	14.5
93.07042	52.1
93.07645	2.5
95.04964	9.0
95.07993	2.8
95.08602	56.7
97.02891	4.3
97.06532	4.8
97.10165	1.5
97.63722	1.4
97.92564	1.3
98.21464	3.0
99.04447	2.8
105.07004	13.3
107.04962	8.1
107.08575	34.2
109.06518	3.4
109.10149	12.8
117.06990	11.9
118.91680	1.4
119.08572	13.7
121.06527	5.9
121.10139	20.6
123.11706	2.0
125.05991	2.8
130.07774	2.0
131.08560	4.8
133.10149	4.9
135.08099	2.0
135.11681	47.7
137.31079	1.4
139.07513	2.3
139.11243	1.4
145.10104	32.0
147.11679	2.5
149.09753	1.4
149.13234	3.0
159.11705	1.7
163.11171	60.8
163.14832	2.2
173.13251	1.9
181.12233	10.4
209.11873	1.4
227.12762	83.0
228.13135	1.7
255.17299	1.4
261.22113	7.8
282.58389	1.5
283.15384	100.0
284.15768	2.7
317.24716	1.8
335.25778	91.8
336.26144	3.9
423.37613	1.5
543.36768	84.3
544.37164	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3605
Annotation	Manassantin A
Peak:m/z	Relative Intensity
53.03935	0.6
54.99622	0.5
55.01864	0.7
57.03423	1.9
58.62702	0.5
59.04974	1.0
60.05649	0.5
61.02922	3.6
66.10184	0.4
67.05498	2.7
69.03432	2.5
69.07055	0.8
69.62148	1.2
69.62561	2.7
70.06573	1.6
71.04985	2.0
73.02908	3.5
76.91565	0.5
79.05463	2.2
79.27436	0.4
81.03410	10.0
81.07054	2.7
83.04980	1.2
83.08614	0.7
85.02895	5.3
86.09682	0.5
87.04479	0.6
91.03947	1.8
91.05470	6.0
93.07044	3.4
95.04968	1.4
95.08588	1.8
97.02886	3.8
97.06525	1.6
101.02380	1.7
105.07035	2.1
107.04951	0.5
107.08603	1.3
109.02852	0.9
109.06514	0.6
109.10120	2.5
111.08041	1.0
115.48946	0.5
119.08577	4.0
121.06503	1.8
121.10123	1.0
123.08083	0.8
123.11852	0.5
123.61256	0.4
125.09604	0.6
127.03963	1.3
129.05495	0.6
129.06995	1.2
131.08560	0.7
133.10126	0.7
137.05995	0.6
137.09619	2.4
137.51579	0.4
139.68527	0.4
147.08101	1.4
147.11693	0.6
149.09605	1.1
151.11201	0.5
153.01866	0.9
153.09056	0.5
157.10077	0.7
165.09103	3.3
166.59558	0.5
175.11162	0.6
185.04292	0.7
193.12318	0.9
239.12759	1.3
243.08417	3.3
255.12077	2.1
259.10052	0.6
267.15945	0.7
283.15070	3.4
311.14764	0.9
339.17648	0.9
415.62686	0.6
467.31058	0.5
473.19873	19.0
474.20047	0.6
477.15479	0.7
501.23071	9.1
533.38513	0.5
571.30963	1.2
733.36127	100.0
734.36633	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.561
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
53.03934	0.7
53.82689	0.6
55.01865	0.9
55.05505	6.7
56.05028	3.7
56.27259	0.6
57.07071	3.6
59.50035	0.6
60.04520	54.0
61.91387	0.5
67.05497	11.3
68.05052	0.6
69.07060	9.6
70.06586	2.2
70.92593	1.6
71.08617	2.5
72.04510	3.1
74.06070	1.3
78.87838	0.5
79.05484	6.5
80.04987	1.4
81.03011	0.6
81.03419	2.5
81.07046	13.1
82.06563	2.0
82.36275	0.6
83.08614	7.2
84.08118	0.9
85.02900	0.9
85.10160	1.3
86.06050	1.9
90.05533	2.7
91.05465	6.0
93.07038	6.3
94.06562	2.6
95.04961	1.8
95.07345	1.1
95.08601	10.5
96.08121	1.4
97.06518	1.2
97.10160	4.2
99.06889	0.6
105.07031	4.2
107.08562	3.3
108.08105	1.0
109.10137	4.5
110.09682	1.0
111.08057	0.8
111.11726	1.2
112.07620	1.0
119.08563	4.9
121.10135	3.8
122.09657	1.1
123.08112	0.6
123.11692	1.3
133.10091	4.2
135.11722	2.1
137.09624	1.0
137.13315	0.7
149.13206	1.4
154.31204	0.6
161.13223	0.8
173.65953	0.6
175.01918	0.6
175.14886	0.9
183.26051	0.6
212.87288	0.6
219.21075	0.6
233.22769	0.6
237.22046	0.6
245.22662	3.6
250.25342	2.4
252.26828	0.9
262.25275	24.3
263.23621	4.0
266.24857	1.3
268.26309	0.9
272.25824	6.6
280.26346	22.9
298.27380	7.6
314.27057	3.0
316.28464	2.1
344.28067	1.8
359.70966	0.5
376.77713	0.6
504.47583	0.6
516.47705	2.5
534.48749	15.4
552.49829	100.0
553.50159	3.4
570.50879	28.3
571.50494	1.0
682.99866	0.6
745.44635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.4
56.05017	2.6
57.07067	5.5
60.04521	62.5
67.05496	12.0
68.05003	1.0
68.10807	0.7
69.06724	1.1
69.07063	11.1
70.06573	2.0
71.02033	0.7
71.02394	2.2
71.08616	3.2
72.04491	3.4
74.06071	1.5
79.05482	5.8
80.05019	1.0
81.03411	2.8
81.07049	12.9
81.07526	0.8
82.06567	3.0
83.04971	1.1
83.08602	8.0
85.02904	0.8
85.10165	0.9
86.06058	2.1
90.05531	2.4
91.05470	7.2
93.07043	6.0
94.06559	3.9
95.04951	2.0
95.08599	13.3
96.08111	2.7
97.06482	1.6
97.10155	4.6
98.06045	1.3
100.07568	0.7
105.07037	4.6
107.08595	4.7
108.08101	1.6
109.06493	1.5
109.10149	4.3
119.08579	5.5
121.08844	0.8
121.10139	4.7
122.09649	0.8
123.08100	1.0
123.11707	1.4
123.65934	0.7
133.10106	4.1
135.11693	2.8
136.11182	0.8
137.13309	1.2
147.11671	1.3
161.13263	1.3
184.07381	1.8
192.15372	0.7
219.21143	0.8
220.52757	0.7
245.22639	4.2
247.38660	0.8
250.25383	3.3
252.26920	1.0
262.25284	26.6
263.23471	3.4
272.25787	5.0
280.26343	24.5
298.27390	9.7
314.26752	3.8
316.28540	2.3
328.45795	0.7
344.28088	1.4
405.09909	0.7
504.47562	0.9
516.47498	4.4
534.48846	17.8
535.48859	1.5
552.49847	100.0
553.50220	7.9
570.50873	29.4
571.51129	1.2
578.57794	0.7
599.32428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.5
57.06830	2.3
57.07074	31.4
67.05493	5.5
69.07056	8.6
71.08624	32.1
73.06546	10.4
79.05495	2.2
81.07050	3.2
83.08595	5.2
83.17715	1.6
85.10177	22.3
87.04456	10.1
89.06021	100.0
95.08586	3.3
97.10148	7.0
98.20589	3.5
99.11752	2.2
107.07034	3.2
109.10142	2.2
111.11704	3.2
113.13243	2.2
117.09122	10.5
120.91977	2.3
130.08629	4.4
133.08588	50.2
161.11723	2.3
162.76768	1.8
177.11195	19.5
184.07335	2.6
211.24117	2.8
221.13803	3.6
229.14333	2.4
229.53511	2.3
234.42139	1.8
299.29370	2.7
314.26874	2.0
347.44058	2.2
415.59714	2.1
579.06445	2.0
656.64752	2.1
708.70789	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
53.39449	1.3
55.01869	3.7
55.05504	13.8
57.03426	11.3
61.02922	2.2
65.03931	2.2
67.05498	46.3
69.03421	2.9
69.07057	17.2
71.04978	4.0
71.86571	1.4
78.42582	1.4
79.05487	39.1
80.05864	1.3
81.03410	100.0
81.06597	2.4
81.07053	40.1
82.07395	1.9
83.04971	6.1
83.08610	6.2
85.02898	4.6
85.06536	1.3
91.05472	37.0
92.05762	2.0
93.07036	38.6
95.04962	9.5
95.08597	37.7
96.05274	1.4
97.02875	3.1
97.06526	5.2
97.10155	3.0
98.20692	2.2
105.07021	19.0
107.04924	2.1
107.08585	20.0
109.06521	2.2
109.10138	18.1
111.08024	3.0
112.24316	1.3
117.07008	6.9
119.08571	30.8
120.08896	2.7
121.06482	7.6
121.10120	16.9
123.04390	2.2
123.08057	4.3
123.11709	5.7
125.09588	2.7
129.06958	4.0
131.08566	13.3
133.10104	9.6
135.08026	4.0
135.11688	11.4
137.09607	19.7
137.13341	1.7
143.06998	2.3
143.08556	3.0
145.10124	8.4
147.08052	5.6
147.11642	8.3
149.09613	3.9
149.13258	4.6
157.10074	2.5
159.11655	6.1
161.13246	4.7
163.11206	2.5
163.14810	2.8
165.09081	18.1
171.11702	4.1
173.13254	4.7
175.11137	1.6
175.14848	1.8
181.10085	1.8
183.11665	2.4
184.07353	3.9
185.13246	1.7
187.14816	2.5
193.12131	2.0
199.09636	2.6
207.13786	2.0
211.14885	2.0
225.16110	1.4
239.12781	56.3
243.21211	2.5
261.22131	11.6
281.13898	1.9
283.15344	3.4
284.15872	1.6
301.25470	2.7
307.22702	5.2
308.23029	2.9
309.24008	3.9
317.24734	3.0
333.24329	2.2
335.25781	37.7
336.26047	1.7
363.25012	1.7
407.29355	5.5
425.30756	7.3
443.31528	3.1
444.94330	1.5
499.34195	30.2
517.35059	30.6
535.36078	7.5
698.43024	1.6
733.37122	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01870	6.0
55.05504	24.4
57.03443	19.1
57.07070	7.7
64.72635	4.0
67.05499	65.4
68.05870	4.2
69.03419	4.5
69.07057	13.6
69.49590	31.2
69.50010	8.2
71.04983	3.7
78.44902	3.4
79.05488	68.5
81.03410	77.3
81.07047	69.3
82.37406	4.2
83.04984	5.9
83.08591	24.5
85.02898	8.1
86.09689	7.2
91.05468	43.8
93.07030	81.4
95.04946	36.7
95.08598	44.4
97.02872	7.0
97.06513	5.8
97.10123	4.6
98.20824	10.9
98.21468	6.8
99.08099	3.9
105.07030	35.9
107.04913	9.7
107.08570	28.7
109.06508	7.8
109.10144	21.7
111.08047	6.8
117.06988	11.7
119.08579	23.0
121.10129	35.8
123.08102	4.1
123.11701	6.5
125.09600	7.5
129.06953	11.9
131.08556	29.2
133.10094	19.2
135.08052	5.2
135.11668	22.3
137.09555	5.2
143.08525	4.3
145.10109	13.7
147.08057	4.7
147.11649	12.6
149.09523	4.5
149.13239	8.5
157.10138	13.5
159.11696	12.1
163.11163	6.7
173.13283	12.7
175.11211	7.1
175.14857	4.9
184.07332	11.7
190.52296	4.1
193.12270	23.3
215.18005	19.6
233.19019	25.2
235.13043	4.4
249.14870	5.6
267.15891	100.0
268.16129	4.5
285.17059	9.4
292.09781	3.7
307.22684	84.5
333.24200	3.8
425.30573	7.8
443.31332	4.3
499.34195	48.2
517.35138	43.0
541.35144	5.0
564.23315	10.7
596.26141	5.2
732.35602	6.7
733.37866	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
56.05017	0.5
57.03404	0.4
58.06608	0.5
59.07372	0.2
60.07891	0.4
60.08159	6.0
67.05499	2.2
69.07050	0.6
71.07366	3.3
79.05500	1.3
81.03412	1.3
81.07047	2.3
83.08604	0.5
85.02927	0.3
86.09694	30.8
91.05492	1.3
93.07032	1.3
95.04945	0.6
95.08580	1.4
98.20638	0.5
98.98456	3.1
104.10731	2.1
105.07017	0.6
107.08582	0.9
109.10162	0.7
117.06985	0.4
119.08578	0.8
121.10176	0.4
124.99988	21.5
129.94777	0.2
133.10126	0.5
135.08038	0.9
143.01060	0.2
145.10085	0.2
163.07507	0.4
184.07321	100.0
185.07698	0.5
208.07091	0.3
242.88321	0.3
267.15869	0.8
302.24960	0.3
309.24164	0.9
427.78949	0.2
499.00510	0.3
501.35443	0.7
511.33652	0.3
519.36383	0.4
533.38824	0.3
730.46478	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.2
56.05020	0.8
57.03448	0.2
58.06621	0.4
60.08157	5.7
67.05499	0.7
69.07062	0.2
70.06561	0.2
71.07362	3.6
71.75782	0.1
71.76261	0.2
79.05485	0.6
81.03416	0.4
81.07067	0.8
86.09695	30.6
87.10030	0.2
91.05468	0.4
91.34866	0.1
93.07048	0.7
95.04940	0.2
95.08581	0.5
98.98453	3.4
98.99068	0.2
104.10727	2.5
105.07033	0.4
107.08586	0.3
109.10209	0.1
119.08530	0.4
121.10139	0.2
124.99989	20.8
135.08003	0.2
135.11702	0.2
143.01021	0.4
166.02725	0.2
184.07323	100.0
185.07693	0.9
200.64893	0.1
219.21124	0.1
255.12181	0.2
307.22739	0.1
335.25839	0.3
487.68457	0.1
533.34747	0.2
536.24939	0.1
580.26428	0.4
632.01453	0.1
667.26752	0.1
730.46545	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.3
57.03433	7.9
57.07074	1.6
61.02897	1.6
65.03928	1.6
67.05494	41.2
69.03409	1.8
69.07056	8.9
70.81377	3.0
70.81722	1.2
71.04986	11.4
73.29144	1.0
79.05484	24.3
81.03416	2.3
81.07047	25.0
83.04957	3.4
83.08595	3.9
85.02895	1.9
85.06545	1.5
86.09701	3.5
91.05463	12.2
93.07030	36.3
93.55273	1.2
95.04964	2.2
95.08593	100.0
96.08920	1.2
97.02897	1.4
97.06531	3.3
97.10165	3.3
99.08073	1.7
105.07011	9.2
107.04935	1.1
107.08585	10.9
109.10158	6.5
112.09534	1.1
117.07009	3.1
119.08567	8.4
121.10136	19.8
123.08058	6.5
123.11684	2.6
124.99992	2.6
125.09612	3.3
129.07036	2.1
130.09705	1.0
131.08559	9.9
133.10143	6.1
135.11667	6.4
139.11230	1.7
141.09091	3.6
143.08551	2.8
145.10100	5.3
147.11670	3.7
149.09627	3.5
149.13297	2.5
156.61319	1.1
157.10143	1.9
159.10162	5.0
159.11700	3.5
161.13222	3.3
167.10681	1.9
171.11668	2.2
173.13235	2.5
184.07281	11.3
185.13184	1.6
185.52342	1.0
185.84871	1.4
199.13243	3.4
215.12762	1.9
231.15968	2.1
241.14375	3.9
259.20480	2.4
261.22070	3.6
271.20596	1.3
273.16943	22.2
285.21866	1.2
335.25800	19.8
379.22928	1.3
383.29449	3.1
401.30344	1.4
409.30933	2.1
457.33139	5.3
475.34140	73.9
476.34525	2.6
489.35895	2.2
501.35654	11.5
533.38324	40.2
534.38092	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.6
53.03936	2.9
53.12178	1.4
54.15841	1.2
55.01854	1.6
55.05260	1.6
55.05510	16.6
57.03437	7.3
57.07058	4.4
61.02914	3.7
63.20877	1.2
65.03941	2.0
67.05499	63.6
69.03419	2.4
69.07064	10.1
71.04986	18.4
71.75562	2.0
71.75924	1.5
79.05484	59.2
81.03415	2.3
81.07047	92.1
83.04965	3.7
83.08620	9.7
85.02898	3.1
85.06536	8.5
86.09685	4.0
87.04481	1.4
89.06020	2.9
91.05469	30.7
93.07034	50.3
95.04943	5.7
95.08597	22.6
97.02862	1.6
97.06502	5.8
97.10152	1.7
99.08116	2.1
105.06396	2.0
105.07027	16.9
107.08582	17.1
109.06512	2.1
109.10143	11.7
111.08030	3.8
117.06979	4.6
119.08548	9.2
119.40395	1.4
121.10135	26.1
123.08065	2.2
123.11695	15.1
124.99980	2.7
125.09592	2.4
129.07024	1.9
131.08534	8.9
133.08594	1.8
133.10124	19.8
135.11690	6.3
145.10098	4.4
147.11652	3.9
149.09630	1.4
149.13240	5.5
151.11176	6.6
155.08556	1.3
159.11682	6.9
173.13261	2.2
173.45993	1.3
177.12759	2.8
179.14096	1.8
180.24904	1.3
183.11656	1.7
184.07362	13.7
187.13329	3.4
195.13728	1.6
206.49408	1.3
215.17987	3.5
233.18979	3.0
234.43584	1.3
243.15858	3.0
257.17493	2.8
269.17441	6.1
301.20087	14.3
307.22629	33.1
333.24707	1.5
457.33014	2.0
475.34174	88.2
476.34476	3.2
489.35495	5.6
501.35632	10.0
533.38318	100.0
534.38812	4.2
686.07745	1.5
730.45557	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.3
55.01855	7.2
55.05505	16.8
57.03430	23.4
57.07054	1.8
59.01041	1.3
61.02911	4.4
65.03933	5.6
67.05495	89.2
68.05776	1.7
69.03404	4.6
69.07063	21.6
70.79601	1.6
71.01335	2.3
71.04980	6.6
71.75156	2.1
73.02889	2.1
79.05013	3.7
79.05480	79.6
81.03408	37.1
81.07046	85.7
83.04959	5.7
83.08613	12.4
85.02891	19.0
85.06538	4.0
86.09700	4.1
86.50277	1.5
87.23961	1.5
91.03948	2.7
91.04905	3.3
91.05469	56.2
92.05804	1.9
93.07028	69.2
94.07349	1.7
95.04962	10.6
95.08590	57.2
97.02883	12.5
97.06522	16.2
97.10162	4.9
99.04440	1.5
99.08070	3.1
103.05493	1.9
105.07027	27.7
107.04933	11.4
107.08582	62.4
108.08833	1.6
109.06512	13.9
109.10145	22.3
111.04419	2.2
111.08063	5.7
113.05933	1.4
115.05457	5.4
117.06161	2.1
117.07005	39.6
119.04935	5.2
119.08558	20.6
121.06480	7.3
121.10136	23.9
123.08064	6.0
123.11697	7.7
124.99972	2.8
125.09635	10.2
129.06960	2.0
131.08568	12.8
133.10132	17.9
135.08035	82.4
135.11656	17.0
137.05965	5.9
137.09583	3.8
137.13203	2.2
139.07509	4.6
141.06984	1.9
143.06943	1.8
143.08574	3.7
145.06482	4.8
145.10098	13.2
147.11656	8.0
149.09561	2.1
149.12227	1.4
149.13251	9.4
153.09082	9.4
157.10130	2.4
159.11734	9.8
161.13214	5.9
163.07521	70.1
163.11142	2.2
163.14799	5.2
165.09102	2.4
171.11771	1.6
173.13249	7.8
175.14783	2.0
181.08585	24.5
181.10106	3.0
183.11676	2.4
184.07323	15.4
187.14769	2.8
197.13321	1.9
199.09619	8.4
211.14961	1.5
225.11115	2.7
229.10719	1.9
233.19107	2.2
237.11151	2.1
243.21017	9.0
255.12244	67.0
256.12604	2.2
261.22137	25.3
262.05505	1.7
273.13306	52.1
273.16306	2.5
277.21512	1.6
283.15192	2.3
293.19086	1.7
307.22650	5.9
315.22925	1.7
317.24826	4.2
321.12723	1.4
325.21640	2.0
333.24414	2.3
335.25751	100.0
336.26181	6.4
377.28268	2.1
392.79984	1.6
395.29495	2.9
405.27979	9.4
423.28998	13.5
441.29926	5.0
459.30646	2.0
487.34244	3.0
497.32565	15.3
515.33606	53.6
516.34332	2.0
533.34644	31.7
534.35187	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.7
54.79279	1.1
55.01866	9.9
55.05503	26.6
57.03428	23.6
57.07060	5.1
59.04982	2.7
60.56652	1.1
61.02901	4.5
65.03914	4.5
65.64867	1.0
66.94720	1.2
67.05493	79.5
68.05814	2.2
69.03412	4.4
69.07055	19.7
70.06561	1.6
71.01338	3.7
71.04967	6.7
71.75255	1.7
73.02911	2.3
74.77434	1.1
79.05481	89.0
80.05820	1.5
81.03406	25.6
81.07042	65.7
83.01330	3.9
83.04961	20.0
83.08606	16.7
85.02885	14.1
85.06516	4.0
86.09689	2.4
91.03944	3.1
91.05466	44.5
93.07027	100.0
94.07371	1.8
95.04958	17.2
95.08591	49.7
97.02884	12.9
97.06505	12.7
97.10136	3.2
97.93196	1.1
99.04440	4.2
99.08060	2.3
102.09148	1.6
103.00944	1.1
105.04493	2.3
105.07012	28.0
107.04938	16.9
107.08575	38.7
109.02871	1.8
109.06499	7.6
109.10140	24.2
111.04436	10.2
111.08066	6.5
111.11716	1.1
113.09564	1.2
113.99409	1.1
115.05392	1.8
117.06992	18.3
119.08562	26.8
121.06487	4.3
121.10127	44.5
123.08046	7.9
123.11661	5.6
124.99979	2.2
125.05972	2.2
125.09559	5.5
127.03891	1.3
129.05499	1.1
129.06975	4.5
130.07794	2.4
131.08563	20.9
133.06494	1.8
133.10126	16.9
135.08031	10.5
135.11668	39.8
137.09592	5.8
140.98854	1.3
143.08527	3.3
145.06448	2.0
145.10089	29.7
147.08009	4.0
147.11655	10.2
149.02301	3.4
149.09633	5.9
149.13213	11.4
151.11104	2.1
153.09074	1.7
153.12718	14.5
155.08522	5.0
157.10144	2.7
159.11668	7.8
161.09621	2.0
161.13226	3.6
163.07497	4.8
163.09766	2.1
163.11154	39.7
169.10133	1.7
171.11656	3.2
173.09572	8.1
173.11874	1.8
173.13194	7.3
175.11198	2.1
175.14798	1.9
181.08563	2.9
181.09979	1.2
181.12213	10.9
183.11659	1.9
184.07329	4.3
185.13219	2.4
187.14764	2.3
189.16452	1.6
191.10649	11.5
193.05017	1.8
199.14839	1.3
205.19469	1.9
206.26608	1.4
209.11699	26.7
209.13388	1.1
210.12166	1.3
211.14877	1.3
213.16377	2.1
215.17921	21.5
227.12730	14.7
233.18948	19.2
255.12305	1.9
261.22064	1.6
265.14371	6.2
271.20450	1.8
273.13190	6.2
283.15366	34.8
284.29431	2.3
289.21774	1.4
301.16394	57.2
302.16660	2.0
304.43323	1.3
307.22632	97.3
308.23001	4.6
313.27383	1.4
335.25858	7.5
367.02710	1.1
405.27634	3.3
406.83875	1.3
423.28766	6.0
441.29810	4.1
487.33990	1.9
497.32584	7.6
515.33630	47.8
516.34283	2.7
533.34656	79.2
534.34821	6.3
719.10968	1.1
730.39642	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63791	1.2
62.13091	1.3
69.03423	1.8
70.35549	4.2
97.02782	1.5
104.35985	1.4
127.00005	3.5
127.03870	1.9
141.05254	1.5
167.03163	1.7
169.04733	4.9
185.04303	1.6
191.03217	2.4
192.03935	10.4
217.04755	5.7
218.05423	3.9
227.05208	10.9
231.06310	6.0
232.07111	7.8
233.07816	21.9
271.04199	4.6
296.07416	1.9
311.09766	3.5
353.10791	1.5
354.08145	2.2
380.09460	1.7
395.13098	7.5
396.10312	1.9
405.11771	1.4
413.13138	1.9
437.14151	56.6
438.14508	2.7
481.13141	93.6
482.13501	4.8
599.19611	1.9
641.20453	30.6
642.20825	2.4
643.18512	11.3
685.19501	39.5
686.19434	3.4
725.47772	1.5
729.18384	100.0
730.17938	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
55.01859	5.8
55.05502	23.6
56.34935	1.0
57.03429	19.0
57.07061	3.3
61.02921	6.0
63.68081	1.1
65.03917	3.3
67.05497	76.1
69.03399	4.7
69.07059	17.7
69.40738	7.6
69.41163	3.7
71.04977	5.7
73.02900	2.2
77.03906	1.1
79.05484	73.8
80.05812	1.4
81.03407	8.5
81.07045	62.3
83.04967	16.5
83.08611	11.0
83.60061	1.3
85.02880	7.3
85.06536	5.7
86.09705	2.4
91.03946	1.7
91.05470	46.2
93.03376	1.7
93.07034	81.9
94.07359	1.2
95.04963	18.8
95.08591	44.8
97.02878	7.7
97.06517	10.4
97.10167	3.7
99.04436	4.6
99.08082	4.6
104.10738	1.2
105.04483	1.2
105.07020	29.5
106.07272	1.2
107.04930	14.9
107.08574	36.7
109.02819	1.7
109.06493	6.0
109.10135	21.3
111.04431	12.1
111.08060	6.1
113.06002	1.9
113.09621	2.1
115.05419	1.6
117.06994	18.8
119.08569	24.3
121.06482	4.4
121.10127	37.9
123.04432	2.4
123.08009	4.6
123.11683	9.3
125.00000	1.5
125.06034	2.0
125.09619	2.9
128.06183	1.7
129.06979	4.6
130.07782	1.7
131.08548	20.5
133.10107	25.4
135.08043	8.4
135.11682	35.7
137.09610	4.0
141.07007	1.4
143.08542	4.2
145.06491	3.1
145.10114	26.9
147.08023	3.3
147.11687	12.9
149.02365	1.2
149.09608	6.2
149.13246	11.1
151.11171	4.8
153.09169	1.7
153.12766	1.3
155.08508	3.5
157.10103	4.0
159.11685	10.6
161.09621	1.9
161.13240	3.9
163.07523	3.7
163.11182	18.5
165.09045	1.9
169.10094	2.6
171.11682	2.8
173.09604	7.4
173.13232	8.1
175.11156	2.1
175.14752	1.5
177.12665	1.9
181.08618	1.5
181.10112	1.7
183.11638	2.1
184.07303	8.2
185.13275	2.0
187.11118	2.3
187.13229	1.2
187.14784	3.8
189.12755	1.7
191.10651	7.6
191.14195	1.8
193.04828	1.8
193.12309	1.2
195.11694	1.2
197.13261	1.8
199.09566	1.8
199.11317	2.2
205.19408	2.2
209.11678	22.3
209.13452	2.3
211.14925	1.2
213.16354	3.5
215.17920	21.4
225.12735	1.2
227.12691	5.1
227.17915	1.5
231.17409	3.6
233.18980	18.2
245.18974	4.9
253.14279	4.8
255.12294	1.8
261.22281	1.7
265.14258	1.6
273.13306	4.4
283.15378	88.4
284.15622	2.4
285.16980	1.4
287.19904	2.2
289.21249	1.5
301.16379	3.8
305.21024	3.1
307.22641	100.0
308.22940	3.9
311.19989	1.5
335.25757	7.4
337.12793	1.2
387.26898	1.4
392.20761	1.1
395.29425	2.9
405.27786	6.8
423.28857	10.9
441.30127	6.1
459.30835	1.3
479.31494	1.8
487.34079	2.2
497.32605	13.5
515.33630	80.5
516.33734	3.1
533.34686	13.3
730.40906	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	2.4
53.03925	3.2
55.01860	3.6
55.05505	24.8
57.03428	10.7
57.22436	1.2
59.04980	2.6
61.02909	4.6
65.03928	3.2
67.05496	47.6
69.03393	4.4
69.07066	10.9
70.65231	4.4
71.04966	3.2
73.02890	2.3
77.03915	1.6
79.05482	46.4
81.03412	7.0
81.07045	50.8
81.07525	2.7
83.04961	3.7
83.08612	13.1
85.02883	7.7
85.06509	3.6
86.09682	2.1
91.03941	2.2
91.05467	36.6
93.07033	60.4
93.49204	1.2
95.04960	9.3
95.07999	2.4
95.08591	31.0
97.02883	6.2
97.06510	4.4
97.10151	2.2
99.00804	16.9
99.08080	3.1
103.05459	1.6
105.04546	1.4
105.07030	24.3
107.04943	6.2
107.08575	25.0
109.02864	10.2
109.06502	3.6
109.10139	17.6
111.04369	1.3
111.08038	4.4
115.03904	4.2
117.06976	8.8
119.08574	17.1
121.06505	7.8
121.10128	20.4
123.04404	2.0
123.08044	2.8
123.11685	7.3
124.99986	1.7
127.03897	2.9
129.07048	2.5
131.08554	11.9
133.06485	2.3
133.10112	43.0
135.08058	1.7
135.11682	20.1
137.09541	3.1
137.13228	2.1
139.07501	4.0
139.11104	1.5
143.08537	5.5
145.06444	2.2
145.10138	9.1
147.11697	6.0
149.09557	1.8
149.13242	9.9
151.11153	11.6
156.92172	1.3
157.10129	1.7
159.11700	8.3
161.09605	17.6
161.13239	2.7
163.11124	2.0
165.09169	1.7
171.07988	4.3
173.13239	4.2
179.10652	9.0
184.07324	8.6
189.09068	8.8
197.11687	3.2
205.19562	1.9
207.10135	3.6
215.17946	20.6
225.11174	13.4
233.18959	20.4
243.12157	2.3
281.13690	3.1
289.21628	2.0
299.14841	96.2
300.15268	2.9
304.36749	1.4
307.22626	100.0
308.22910	2.4
345.60281	1.2
421.27100	1.5
439.28284	2.9
485.32440	2.5
513.31946	6.3
531.33154	48.2
532.33655	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.8
53.03947	2.4
55.01859	6.9
55.05265	2.1
55.05495	10.1
57.03430	11.9
60.08151	2.0
61.02918	5.2
65.03927	4.3
66.14112	1.8
67.05499	50.8
69.07064	11.1
71.04971	2.6
71.75345	3.9
73.02908	4.9
79.05483	74.1
81.03407	2.7
81.07049	51.7
83.04951	2.9
83.08619	4.7
84.91663	1.7
85.02895	7.2
85.06549	2.5
86.09707	5.1
91.03965	2.7
91.05472	40.1
93.07032	41.2
93.07580	3.6
95.04967	7.4
95.08599	39.8
97.02887	3.4
97.06499	4.6
97.10206	2.1
99.00794	12.6
99.88403	1.7
105.07018	100.0
107.04935	3.4
107.08582	28.4
109.02860	2.6
109.06519	2.6
109.10146	13.9
115.05437	3.3
117.07028	5.3
119.08574	14.0
121.10130	17.7
123.08059	12.3
123.11723	4.3
124.99995	3.4
131.08534	9.3
133.06474	37.5
133.10109	18.1
135.08060	7.1
135.11678	11.5
143.08531	2.7
145.10115	5.5
147.11674	6.0
149.13258	4.4
151.07516	45.3
151.11134	4.0
153.09166	2.3
159.11685	7.7
161.09628	5.3
161.13260	4.9
163.14868	4.6
173.13226	4.2
179.07033	7.4
179.10786	2.5
184.07315	19.2
184.75438	2.0
197.08018	2.6
215.09152	4.6
215.17975	6.4
233.19113	5.2
243.21207	5.9
253.10725	6.9
253.14325	2.7
261.22067	18.5
271.11740	81.9
272.12027	2.3
299.12021	2.4
299.14944	14.7
307.22614	15.8
315.22940	2.3
317.24765	3.3
335.21796	4.3
335.25772	76.7
336.26297	2.6
382.14798	1.9
439.28455	3.3
485.32574	4.6
503.33200	2.2
513.32227	13.1
531.33069	40.8
724.72137	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
55.01872	24.1
55.05498	13.7
55.79384	3.2
57.03422	8.8
67.05496	50.3
69.03398	6.0
69.06680	6.4
69.07056	100.0
71.04973	6.3
71.74623	5.0
79.05485	45.5
81.03405	47.8
81.07043	46.8
83.04977	19.7
83.08595	18.2
85.02884	18.8
85.06517	3.7
86.09667	3.6
91.05470	58.4
93.07037	48.8
95.04963	26.5
95.08604	13.2
97.06522	50.8
105.06992	26.9
107.04943	32.8
107.08574	24.9
109.06509	20.7
109.10155	6.0
111.04456	5.0
111.08064	9.6
117.07018	15.8
119.08565	26.7
121.10125	27.4
123.04415	3.6
123.08017	4.3
125.09598	3.9
129.07001	11.8
131.08531	42.4
133.06468	6.9
133.10114	29.0
135.08046	18.8
137.09622	4.7
143.08562	4.2
145.10112	11.9
147.08046	4.4
147.11702	13.8
149.09602	69.1
151.11176	20.7
155.08423	5.9
157.10094	12.0
159.08083	8.0
159.11697	5.1
161.09599	5.5
163.11119	6.3
165.09065	4.1
175.11180	14.1
177.09108	11.1
183.10130	10.6
184.07324	7.7
187.14745	4.4
193.12228	27.8
201.16350	4.9
211.13292	38.7
229.15923	7.8
247.16891	23.2
265.18039	8.9
267.15857	36.6
285.16858	59.5
321.20566	58.0
321.24139	5.6
322.20932	3.8
336.15060	3.5
363.21704	7.4
375.21188	5.5
381.22717	10.7
387.73593	4.0
393.22623	6.5
504.66028	3.3
513.32013	57.2
531.33124	83.4
532.33362	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67826	0.7
51.49426	0.7
53.03931	2.9
53.43407	0.7
53.48305	0.7
55.01860	4.8
55.05504	11.3
57.03201	0.7
57.03432	8.2
63.94740	0.8
67.05500	14.0
69.03405	2.5
69.07057	12.9
69.73675	1.6
69.74088	4.7
71.04976	3.5
73.06520	1.0
79.05482	20.1
81.03409	61.2
81.07048	14.0
83.04964	3.3
83.08606	9.3
85.02894	1.4
85.06523	0.9
89.23717	0.8
91.05470	19.9
93.07030	21.0
95.01292	1.0
95.04952	18.6
95.08596	8.6
97.02882	2.2
97.06538	6.4
97.10157	8.7
98.21422	1.2
105.07033	8.2
107.04932	17.1
107.08565	8.1
109.06495	7.3
109.10123	4.3
111.04407	1.2
111.08059	4.0
115.05446	1.5
115.07602	1.2
117.06985	7.2
119.08571	22.0
121.06490	11.0
121.10123	7.3
123.04398	2.2
123.08037	4.0
125.05968	2.6
125.09612	8.8
129.07004	7.6
131.04907	2.7
131.08539	8.0
133.06464	4.2
133.10117	2.3
135.08014	6.5
135.11667	1.5
137.05992	1.2
137.09595	10.9
139.07542	1.1
141.06981	3.2
142.07796	1.5
143.07022	6.7
143.08548	2.2
145.06496	5.3
145.10118	4.7
147.04402	2.9
147.08025	8.2
147.11678	2.1
149.09584	4.0
151.07426	0.8
153.09091	1.7
153.12733	0.9
155.08513	1.2
157.06512	1.5
157.10066	5.0
159.08034	2.3
159.11687	3.0
161.05966	1.5
161.08321	0.8
161.09576	4.0
163.07550	1.9
163.11172	5.1
165.06978	0.9
165.09100	10.2
165.12643	1.0
167.08527	1.3
167.10724	1.2
169.10126	2.0
171.08015	2.7
171.10197	1.1
171.11641	2.7
173.09607	1.4
175.07515	1.3
175.11169	3.2
177.09126	2.0
181.10112	0.9
183.11684	1.2
185.09572	4.5
187.11134	4.3
189.09114	3.1
189.11223	3.1
191.10623	5.4
193.12228	8.8
195.08012	1.2
195.11690	1.4
197.09610	1.5
199.09517	1.8
199.11145	3.0
203.10638	2.9
205.12291	3.9
209.09578	1.2
211.11278	1.3
213.09155	1.4
213.12793	1.0
215.10663	1.0
217.12210	1.0
221.11710	1.6
223.11133	1.2
223.13242	1.2
225.12711	1.2
227.10703	5.3
231.10175	1.4
231.13776	0.9
237.12770	1.6
238.59865	0.8
239.12752	17.2
241.12297	1.4
248.30328	0.8
249.14761	1.4
259.13278	1.7
267.15881	15.9
273.14725	4.2
303.17310	1.1
311.19971	5.1
321.18378	5.2
329.21060	7.5
339.19537	18.7
340.20236	1.4
357.20544	17.7
358.20898	1.0
375.21713	4.7
385.23697	1.2
413.23169	8.4
431.24243	100.0
432.24652	5.7
449.25293	74.9
450.25702	3.2
463.26816	15.7
473.25302	2.2
481.28110	4.1
513.30634	1.7
661.78186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.1
53.91569	0.9
54.61103	0.7
55.01856	2.7
55.05501	10.5
57.03196	1.1
57.03432	11.6
61.02896	1.4
65.03938	1.0
67.05497	17.8
69.03419	4.3
69.07065	3.8
70.06564	1.0
71.01327	1.2
71.04984	5.6
71.09469	1.6
71.09799	0.9
79.05484	16.8
81.03407	65.8
81.07049	17.5
82.03745	0.8
83.04973	8.4
83.08610	18.1
85.02897	11.9
85.06516	1.8
91.05469	20.6
93.07033	11.8
95.04401	1.5
95.04961	22.5
95.08590	6.7
97.02855	3.0
97.06514	4.2
97.10148	4.7
105.07019	15.3
107.04939	7.8
107.08586	6.0
109.06507	4.0
109.10121	4.6
110.07089	0.8
111.04445	2.3
111.08076	7.1
113.06007	0.9
115.05440	1.7
117.07004	3.3
119.08568	14.8
121.06464	2.5
121.10149	6.7
123.04475	0.8
123.08048	2.9
125.05965	0.8
125.09631	4.3
129.05421	0.9
129.06979	9.0
131.04938	1.0
131.08554	9.1
133.06465	3.1
133.10095	7.0
135.07991	1.2
135.11673	1.7
137.05954	1.1
137.09627	2.0
141.07031	1.0
142.07774	2.6
143.08690	0.7
145.06470	4.2
145.10133	3.6
147.08005	4.1
147.11665	10.0
149.09584	5.9
157.10109	9.8
157.80029	0.7
159.11584	0.8
161.05997	0.9
161.09677	1.0
163.11122	3.4
165.09111	1.0
165.12831	1.8
171.11627	0.9
173.09567	0.9
175.11176	10.3
185.09630	0.9
187.11295	1.1
191.10620	0.9
193.12212	26.1
194.12657	0.8
197.13138	0.8
206.96965	0.8
211.11348	0.8
211.13257	15.3
211.15155	1.2
213.12706	0.8
227.12740	2.1
229.14299	2.1
233.15466	1.3
249.14906	1.1
252.35036	0.9
255.13789	2.1
259.09482	1.0
267.15884	100.0
268.16217	2.6
273.14911	4.8
283.15353	3.3
285.16922	17.9
300.05762	0.8
323.19992	0.7
339.23135	1.5
341.21024	2.0
349.21558	2.6
367.22644	9.2
385.23621	12.2
395.10822	1.0
396.11688	1.0
403.24695	2.9
405.24286	1.0
415.24680	1.1
425.12115	1.5
428.14032	1.1
433.20349	1.3
433.25845	13.7
441.26288	5.1
459.27390	71.4
460.27805	4.2
477.28415	39.3
477.35309	1.7
478.28821	1.0
501.28479	1.7
509.26654	1.4
519.28931	1.2
527.28217	1.3
541.17242	0.9
542.17413	5.0
543.16852	1.0
559.56824	0.9
560.18561	3.7
578.19073	1.5
661.24677	0.8
724.28845	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.05502	19.0
57.03423	12.0
65.03920	4.2
67.05499	50.4
69.07071	18.2
69.41764	36.0
71.04975	3.9
73.74294	4.5
79.05479	56.8
81.03388	7.4
81.07047	45.3
83.04968	7.9
83.08624	8.4
86.09695	5.9
91.05467	100.0
93.07032	61.5
95.04961	15.4
95.08585	27.9
97.02944	3.8
97.06528	5.2
105.07012	75.5
107.04951	8.8
107.08569	25.3
109.06538	4.4
109.10157	9.8
109.56735	3.4
111.08033	4.7
117.07037	17.3
119.08588	48.7
121.06512	5.6
121.10121	16.2
123.08067	8.0
125.09605	4.2
128.06226	4.4
129.06982	14.1
131.08553	27.6
133.10115	64.1
135.08038	5.8
135.11699	12.3
143.08583	17.9
145.10060	24.3
147.11667	52.9
149.09583	8.5
149.13208	4.8
149.58830	3.7
157.10100	13.1
159.11673	14.8
161.09621	7.7
161.13231	16.2
171.11662	33.3
173.13184	4.8
175.11217	4.0
175.14786	4.7
179.10699	5.2
184.07307	11.8
184.12096	3.9
185.13329	6.9
189.16405	5.2
203.17947	8.1
207.13876	5.0
213.16406	31.5
231.17406	48.0
231.21022	4.6
241.19508	14.0
251.12770	7.6
253.14354	23.0
259.20630	18.3
279.16080	3.9
281.17355	32.2
305.21103	24.3
333.24197	6.6
501.23996	4.1
511.34375	42.5
529.34833	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01860	5.2
55.05499	11.1
57.03434	10.4
59.04978	1.7
61.02907	1.8
67.05495	20.3
69.03425	2.8
69.07060	6.2
70.29921	4.9
71.04976	3.9
79.05073	1.9
79.05495	24.4
81.02933	2.4
81.03410	43.7
81.06583	2.1
81.07048	19.0
81.20656	1.0
83.01328	3.1
83.04987	8.0
83.08606	12.6
85.02906	5.7
85.06571	1.7
91.05475	19.8
93.07044	16.2
94.84989	1.2
95.04961	17.0
95.08604	10.0
97.02869	2.9
97.06514	6.8
97.10143	7.4
98.21335	1.7
99.04430	1.3
105.07026	14.5
107.04958	9.2
107.08591	9.3
109.02910	1.9
109.06537	6.0
109.10155	4.4
111.04427	3.1
111.08073	4.9
115.05462	2.1
117.06998	6.1
119.04900	1.6
119.08569	8.8
121.06490	4.0
121.10122	5.6
123.08064	4.0
125.02345	2.4
125.05969	1.7
125.09610	5.8
129.05376	1.2
129.06998	5.4
131.04904	1.6
131.08534	9.8
133.06497	2.7
133.10104	4.4
135.08057	4.4
135.11649	5.8
137.09612	1.7
145.06458	2.9
145.10104	9.4
145.14058	1.1
147.04445	1.7
147.08002	3.6
147.11679	2.5
149.09586	5.8
153.12752	2.0
155.08495	2.1
157.06346	1.2
157.10138	5.4
159.04442	1.2
161.06013	3.8
163.03926	3.3
163.11172	12.8
165.09126	1.5
165.12711	1.3
169.01294	1.2
171.08028	1.4
173.09592	3.9
175.11165	3.6
181.12122	1.7
185.13269	1.6
187.07607	1.3
187.11102	1.3
189.09239	1.4
189.11201	2.4
191.10727	2.3
193.10434	1.9
193.12212	11.4
199.09540	1.4
203.14439	1.5
205.12151	1.4
209.11729	2.1
213.12637	1.5
227.12837	3.5
257.15143	1.2
259.09601	2.5
267.15900	25.8
269.15320	1.5
273.14825	1.5
283.15369	21.1
289.14362	2.6
352.98053	1.2
355.22766	3.1
365.21078	3.4
373.23389	1.9
383.22147	19.2
401.23230	9.5
407.24985	1.2
419.24594	1.7
431.24313	1.4
439.24792	1.6
457.25763	25.5
475.26886	100.0
476.27454	2.1
493.27960	9.3
651.13989	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83641	0.7
53.03941	13.3
55.01865	10.1
56.47794	0.8
57.03425	6.6
61.02919	6.1
68.99782	5.3
69.03423	44.5
71.01341	1.6
71.04984	6.4
71.19236	1.3
71.19581	1.2
73.02907	8.2
81.03410	46.1
82.03722	0.8
83.01340	1.3
83.04944	1.4
85.02897	100.0
87.00818	47.2
87.04451	1.4
89.96548	0.7
91.03918	2.4
91.05473	3.0
95.04967	2.0
97.02881	44.8
99.04449	18.6
101.02361	1.7
103.03921	1.7
105.01856	45.4
105.07012	0.9
108.04449	3.2
109.02866	65.7
111.04417	1.9
115.03935	1.6
117.01821	4.9
119.04939	7.7
119.24255	0.8
121.06527	0.9
122.71542	0.8
123.04418	2.2
125.02317	1.6
126.05507	1.8
127.03901	95.2
128.04202	1.5
129.01810	5.9
133.06451	1.1
136.91502	0.8
137.05966	4.7
145.04947	28.2
147.02885	3.7
147.04384	8.8
149.05940	1.2
151.03862	2.3
151.07523	5.3
155.03372	20.7
159.02881	20.0
161.06000	1.4
163.03877	1.5
165.09148	1.2
169.04939	3.0
170.05724	70.2
171.02927	1.0
171.06033	1.4
177.03961	1.0
177.05431	1.1
179.07004	11.3
181.04979	1.9
183.06519	6.5
187.05898	2.0
189.03882	3.9
189.05455	1.4
193.04997	2.3
193.08589	1.1
196.07234	2.0
207.06505	1.1
209.08075	2.9
211.09633	88.5
212.10034	1.6
213.03917	14.0
223.09621	1.5
230.06499	1.3
231.04971	29.6
235.06070	1.2
248.07599	2.1
249.05954	5.0
253.07162	1.3
255.04915	1.2
266.08688	1.1
272.28836	0.9
273.06009	10.6
301.10748	1.7
315.06909	1.8
319.11578	4.6
339.07086	3.0
357.07953	1.7
416.43701	0.9
443.08466	1.0
461.09113	2.0
715.85846	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41624	0.9
61.33283	1.0
66.40867	0.8
67.17213	0.8
69.44499	6.9
69.44913	1.9
82.22517	1.0
86.97906	1.1
98.20672	2.1
98.21346	3.5
118.38120	0.9
125.13341	0.9
129.95366	1.0
153.15373	0.9
164.18541	0.9
195.56367	1.0
223.12228	1.2
224.12886	1.4
225.13916	2.3
237.13826	1.9
251.08127	1.3
316.14395	0.9
417.17020	2.8
418.17703	2.3
432.19418	1.6
433.19788	5.5
445.16019	2.1
447.21790	10.2
448.22098	1.1
461.19604	1.4
475.21301	24.1
476.21780	5.5
477.23260	1.3
489.22760	1.5
503.20630	3.0
519.22876	1.2
535.23407	19.4
538.38861	1.0
547.23322	2.8
549.24823	1.4
561.24640	2.6
562.25568	4.4
563.26245	3.2
621.26843	3.5
622.27808	100.0
623.27917	3.7
719.34259	1.3
720.35480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01860	0.6
55.05499	2.0
57.03431	3.0
61.02920	7.8
67.05499	6.3
68.02602	0.5
69.03423	5.3
69.07059	1.5
71.01334	0.7
71.04989	0.5
71.34985	1.3
73.02907	4.4
79.05486	5.8
81.03408	3.8
81.07046	7.7
83.04961	1.4
83.08608	1.5
85.02895	6.5
87.04479	0.7
91.03948	4.1
91.05471	3.9
93.07033	5.5
95.04965	2.2
95.08581	3.8
97.02890	5.5
97.06524	0.6
97.61104	0.5
99.04469	1.4
101.02358	2.1
103.03941	0.5
105.07020	3.3
107.08591	2.0
109.02836	1.4
109.10149	2.0
117.06985	1.0
119.08579	1.6
121.10090	3.2
123.11668	0.6
127.03889	1.7
129.05554	0.7
129.06996	0.6
131.08586	1.2
133.10132	1.8
135.11719	0.7
143.08565	0.7
145.10077	0.9
147.11749	1.5
184.07445	0.5
216.07112	0.6
227.20073	0.7
233.85213	0.6
243.08493	2.0
247.95486	0.5
251.12521	0.9
271.30060	0.6
307.22748	0.6
341.61771	0.5
451.38727	0.6
469.20453	3.3
491.26175	9.8
719.39667	100.0
720.40088	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.3
57.03423	1.9
57.07040	1.1
61.02648	0.8
61.02913	4.9
67.05499	6.9
69.03430	3.8
69.07063	1.6
71.04964	1.1
71.75851	1.1
71.76223	0.9
73.02904	3.3
79.05498	4.7
81.03425	5.1
81.07056	6.7
83.04983	0.8
83.08624	0.9
85.02885	5.1
87.04490	1.6
89.06001	1.4
91.03979	3.7
91.05467	6.3
93.07045	5.5
95.05006	0.9
95.08597	4.0
97.02901	4.9
99.04449	1.5
101.02387	1.4
105.07027	1.9
107.08580	1.8
109.06483	0.9
109.10152	1.9
111.04483	1.1
115.96655	0.8
117.06977	0.8
119.08574	5.2
121.10139	2.4
127.03902	2.1
131.08575	1.4
133.08563	1.1
133.10187	1.0
135.08055	0.9
135.11678	1.3
137.09613	1.3
145.10107	0.8
147.08051	1.2
161.66426	0.8
165.09174	1.2
184.07295	1.9
185.04216	0.8
243.08389	1.3
265.14255	1.1
335.25681	0.8
335.32526	0.9
441.17374	7.9
491.25967	0.9
519.29236	4.6
622.24231	2.4
719.39685	100.0
720.39929	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08970	0.4
79.05472	0.4
95.38209	0.3
101.26376	0.4
118.06583	0.5
119.49863	0.4
120.08154	0.5
122.41573	0.3
148.12195	0.3
151.58476	0.4
163.02922	0.4
178.99873	0.3
182.09711	0.4
195.09091	0.6
197.10748	0.6
199.08617	0.4
208.09976	0.5
209.10759	1.0
210.11491	1.0
211.08681	0.5
211.12387	0.8
212.13139	0.5
221.10747	0.7
222.11540	0.7
223.08728	0.9
223.12312	1.2
224.13136	0.6
225.10274	0.8
225.13849	3.7
226.14674	0.9
229.38568	0.3
235.12355	0.9
237.10185	0.6
237.13890	2.2
238.14532	0.4
239.15480	0.6
249.10249	0.6
249.13937	1.5
251.08160	2.4
251.12010	0.4
253.13397	0.4
265.09900	0.5
265.13281	0.4
270.13657	0.7
273.13519	0.3
275.15564	0.7
283.11118	0.5
285.08829	0.3
287.10583	0.4
301.12094	0.4
309.08749	0.7
311.14603	0.4
314.12833	0.5
326.13123	0.4
337.12140	0.6
338.16479	0.4
348.15097	0.3
352.14453	0.5
354.12030	0.6
357.29703	0.4
366.15973	0.5
375.16183	0.5
389.17831	0.9
399.19681	0.8
402.14740	0.4
403.15372	1.4
403.19751	0.9
404.15854	0.4
404.20319	0.4
405.20731	1.0
415.15671	0.8
416.16690	0.6
417.16873	4.0
418.17615	2.6
419.18851	1.2
427.19211	0.6
429.16718	0.4
430.18744	0.5
431.18768	2.4
432.19467	2.6
433.20123	4.8
445.16608	1.6
446.16675	0.4
447.21896	11.0
448.22388	1.1
454.17700	0.5
455.18539	0.4
458.17343	0.6
459.21823	1.3
460.19125	1.4
461.19595	1.4
462.20480	0.7
472.18417	0.4
473.19849	0.7
474.20593	1.1
475.21259	25.3
476.22064	5.6
487.21219	0.9
489.22894	1.1
492.21310	0.5
493.22440	0.6
501.22647	0.4
503.20029	3.0
507.23901	1.0
515.20703	0.6
517.22467	0.6
519.23737	1.9
521.21466	0.5
534.26532	1.0
535.23297	17.8
536.24200	0.5
545.49908	0.4
547.23334	2.9
549.24695	2.1
561.24915	7.9
562.25623	4.6
563.26691	2.9
579.25867	0.7
589.24524	0.5
590.25659	1.0
607.25836	1.7
621.27075	11.6
621.37634	0.5
622.27802	100.0
623.27991	3.7
639.73883	0.4
701.33557	0.5
719.34485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74683	1.6
53.03934	2.1
53.10551	1.7
55.01854	3.3
55.05503	22.4
57.03430	13.2
57.07064	2.7
61.02920	3.7
61.33236	1.6
65.03900	3.0
67.05499	47.4
69.03407	4.4
69.07064	19.7
71.04975	5.6
71.08628	2.1
71.75153	2.4
73.02888	1.9
79.05486	31.1
81.03409	37.0
81.07047	62.5
83.04975	11.9
83.08609	19.5
85.02898	19.0
86.09688	3.4
89.05976	1.4
91.05473	30.5
92.21704	1.7
93.07035	24.9
94.73256	1.4
95.04956	14.4
95.08597	30.1
97.02859	4.6
97.06525	6.3
97.10160	4.8
99.08057	5.2
105.07022	21.5
107.04935	3.7
107.08578	10.6
109.06512	2.4
109.10156	12.8
111.08080	8.2
112.05143	1.6
113.05988	2.0
117.07011	1.7
119.08580	17.1
121.10144	11.2
123.08033	3.9
123.11684	7.0
125.09600	2.2
129.06975	7.3
131.08542	8.5
133.10100	12.5
135.11627	4.9
137.09531	3.2
142.07722	2.7
145.10124	3.7
147.08043	2.0
147.11652	14.8
149.09610	3.3
157.10127	11.0
161.13161	2.2
165.12808	1.9
175.11153	8.3
184.07324	8.3
193.12221	28.0
211.13268	38.0
217.19489	4.7
232.97179	1.6
235.20500	5.8
240.44415	1.6
267.15878	11.6
285.16943	47.7
285.20078	3.0
295.35684	1.9
309.24191	77.6
335.25610	2.5
409.30402	1.9
461.32355	3.3
491.25931	3.9
496.04309	1.7
501.35791	12.9
519.36768	100.0
520.37128	2.8
580.26825	4.2
667.27130	3.0
716.44458	2.1
717.37885	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.6
55.01861	3.2
55.05505	10.6
57.03430	8.5
61.33223	1.5
65.03904	1.9
67.05501	30.4
67.05849	3.6
69.07048	10.3
69.65405	9.7
69.65823	3.8
71.04957	3.5
71.08600	2.2
78.88847	1.7
79.05488	41.1
80.41375	1.7
81.07047	100.0
83.04967	2.8
83.08597	6.3
85.02891	2.8
86.09689	3.1
89.06010	2.1
90.25658	1.8
91.05478	18.5
93.07034	27.2
95.04977	3.2
95.08596	21.2
97.06509	5.3
97.10152	3.9
98.20716	4.1
98.38097	1.7
99.08064	5.0
105.07035	8.3
107.08584	18.2
109.06518	7.9
109.10146	7.6
111.08057	5.0
117.06990	7.7
119.08583	9.0
121.10156	10.8
123.11690	4.3
125.09626	5.1
127.07523	7.4
130.28014	1.7
131.08534	6.2
133.10110	4.0
135.08009	6.1
135.11684	4.8
141.09079	3.5
145.08566	3.8
145.10112	6.2
147.11649	3.8
148.37030	1.7
153.09119	4.6
155.35178	1.7
157.10060	2.7
159.11714	2.4
161.13214	4.4
171.11699	3.2
173.13239	3.6
184.07347	13.1
185.11719	1.9
197.13351	1.8
227.12782	4.8
237.11243	1.9
259.15350	24.1
259.20389	3.1
261.22156	2.7
333.24295	1.9
335.25824	27.0
351.26990	3.1
363.25314	2.8
369.27655	6.5
395.29218	4.2
443.31564	9.8
451.16486	2.0
461.32639	55.9
462.32825	3.3
475.33493	2.0
487.34189	10.1
519.36847	29.0
520.37360	2.1
716.41431	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16304	0.7
63.62072	0.6
76.56302	0.6
86.19981	0.6
94.93001	4.7
112.89589	32.8
114.89323	8.4
120.94494	1.0
127.03890	1.0
128.28816	0.7
136.93996	5.5
139.00734	1.6
145.00797	1.6
148.94002	1.1
150.91904	0.6
160.01282	1.2
161.02921	0.6
164.93494	1.2
166.01331	1.3
166.95050	1.6
168.92082	1.0
169.01817	0.8
181.01869	1.7
184.68509	0.7
186.93161	1.4
190.02333	1.0
192.92938	1.1
194.94559	3.3
196.02379	1.4
210.94035	97.2
210.97591	4.2
211.02829	2.4
211.94368	1.3
214.89397	0.9
228.94209	1.6
232.03442	2.9
232.53578	0.7
246.95407	0.8
248.89687	1.1
268.87781	0.7
268.90436	1.0
283.04968	1.1
292.05566	3.4
298.95654	3.3
298.99213	2.5
312.96814	0.8
356.93860	4.9
357.93903	0.9
358.93674	7.0
372.88736	1.1
372.99023	1.1
373.02936	32.2
373.07581	1.6
374.03024	0.8
381.07791	5.9
390.91312	1.0
432.86945	12.3
432.95013	1.5
433.00119	9.4
433.87030	1.0
543.13159	100.0
544.13672	5.7
571.34698	0.7
581.09131	3.3
715.24011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90641	2.2
52.77371	2.3
53.03935	6.2
55.01855	3.0
55.05509	19.7
57.03455	2.8
57.07061	14.2
63.27855	2.6
65.03933	3.3
67.05175	3.9
67.05500	39.6
69.03419	3.1
69.07059	15.6
69.48138	25.8
71.08624	3.5
73.50658	2.3
79.05481	28.2
81.03417	4.2
81.07037	32.6
83.05001	2.7
83.08604	12.0
85.10170	2.4
85.71777	2.6
91.05466	38.2
93.07034	16.7
95.04961	7.5
95.08588	23.2
97.10223	3.1
99.79897	2.4
103.05492	3.0
105.07012	22.0
107.04944	3.0
107.08590	9.5
109.10147	9.5
115.05435	3.8
117.06967	12.1
119.08565	8.1
121.10159	5.7
123.11729	3.9
128.06230	9.4
129.06995	11.8
131.08502	12.4
133.06520	3.7
140.68279	2.5
141.06999	9.7
142.07759	3.4
143.08569	7.2
145.06488	4.0
145.10175	6.6
153.07054	4.7
154.07797	2.7
155.08513	13.2
157.10155	6.5
159.08109	3.4
164.98015	3.0
165.07022	10.3
166.07832	5.1
167.08604	10.4
169.10138	6.6
171.08055	3.1
178.07817	7.9
179.08586	10.9
181.10086	5.9
183.42308	2.7
184.07404	5.8
189.06972	4.7
190.07675	2.9
191.08556	9.2
192.09334	5.0
193.10156	9.8
195.11833	2.6
202.07837	8.1
203.08496	13.4
204.09416	8.4
205.10150	7.9
206.10901	2.4
207.11864	4.3
209.09624	3.2
215.08545	12.2
216.09399	7.9
217.10147	12.2
218.10875	3.8
219.08098	3.7
219.11662	8.3
226.07855	3.5
227.08554	7.8
228.09332	7.9
229.10098	14.4
230.10953	7.8
231.08034	3.9
231.11761	7.7
233.09724	2.7
239.08467	15.7
240.09364	9.0
241.10114	18.5
242.10956	8.5
243.11620	15.9
245.09697	3.7
247.11177	3.7
252.09422	11.3
253.10098	27.0
254.10976	11.6
255.11697	13.9
256.08835	4.5
256.12640	3.9
257.09555	6.0
257.13269	8.4
259.11258	5.0
263.08539	7.2
264.09244	5.1
265.10049	19.8
266.10858	13.3
267.11591	22.7
268.08981	3.1
268.12506	7.0
269.09723	6.0
269.13278	11.8
271.11200	5.5
271.14743	2.6
276.09384	8.7
277.10034	20.1
278.10831	12.0
279.11667	22.5
280.12460	6.9
281.09909	5.7
281.13309	17.0
282.10471	4.5
283.11179	6.5
283.14774	6.7
285.12915	3.4
289.10046	15.0
290.10999	13.5
291.11697	19.4
292.12494	10.1
293.10141	3.7
293.13177	16.7
293.18948	3.2
294.14044	3.4
295.11218	8.0
295.14951	7.4
296.11905	4.3
296.15189	3.5
297.12811	5.1
301.10129	5.4
302.10913	14.0
303.11630	20.1
304.12494	8.0
305.09927	5.0
305.13354	18.6
306.10413	3.3
306.13986	6.1
307.11328	5.1
307.14905	10.4
308.11942	5.7
309.12906	7.2
311.14322	3.3
314.10837	4.1
315.11676	9.3
316.12442	7.3
317.13104	16.3
318.14127	8.4
319.10989	5.8
319.14835	13.9
320.11963	4.2
321.12790	9.9
321.16235	3.9
323.14288	4.1
327.20883	3.3
328.12338	4.6
329.13266	8.7
329.22659	3.7
330.13980	4.8
331.14404	11.8
332.15457	4.7
333.12775	4.3
333.16315	6.3
337.15802	3.3
341.13211	4.5
343.14990	8.1
345.16519	4.1
347.14200	5.2
353.22632	3.4
355.14951	4.5
359.14093	2.8
359.23862	2.8
365.22726	5.7
377.22812	3.7
383.23676	3.4
389.23035	3.5
390.22696	3.0
391.24237	5.9
393.25922	5.3
403.24182	3.0
405.26086	3.4
407.23352	4.4
417.25641	4.2
421.24847	3.3
431.28384	4.2
435.26617	3.8
441.26147	3.2
447.26895	4.7
449.28348	4.0
459.26697	4.9
473.28369	4.0
477.28473	3.5
501.35657	3.0
509.24112	2.8
521.21405	3.0
533.37750	3.9
547.38391	3.0
555.39331	4.8
557.37836	4.6
559.39362	7.0
567.53192	2.8
575.38989	7.0
576.39435	5.6
577.40320	7.9
589.40198	3.5
603.41595	3.4
659.51788	4.3
669.53748	4.4
679.51587	3.8
683.26831	21.2
684.27606	8.4
687.53754	4.5
697.52997	24.6
715.29810	41.4
715.42346	4.5
715.54376	100.0
716.29980	12.1
716.54932	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01859	2.7
55.05315	1.0
55.05508	13.5
57.03428	12.5
57.07040	2.2
61.02930	2.9
65.03938	2.1
67.05496	46.0
69.03416	4.1
69.07066	8.0
69.55610	3.7
69.56036	9.1
70.06575	1.7
71.04972	5.6
71.08638	1.4
77.19751	1.5
79.05486	43.8
81.03408	25.9
81.07047	40.7
83.04963	8.8
83.08619	11.7
85.02888	13.2
85.06533	3.7
88.07581	2.9
91.03935	1.7
91.05470	36.0
93.07031	46.9
95.04955	18.1
95.08590	24.0
97.02877	3.4
97.06506	4.7
97.10161	2.2
99.08116	2.7
105.07013	23.4
107.04924	4.4
107.08583	18.8
109.06491	4.4
109.10120	9.8
111.08047	4.0
113.05956	1.8
117.06993	6.3
119.08569	21.9
121.10126	22.1
123.11685	4.3
125.09570	3.4
129.06981	7.8
131.08559	12.5
133.06467	2.0
133.10112	16.6
135.08005	2.5
135.11670	10.5
137.09622	4.9
139.11232	1.6
142.07799	1.5
145.10139	7.1
147.08028	3.0
147.11658	10.0
149.02306	2.4
149.09622	4.8
149.13220	4.7
151.11162	3.3
153.09026	1.2
157.10036	6.5
159.11708	7.2
161.13268	1.7
165.09109	4.0
165.12717	3.4
173.13231	2.9
175.11162	6.2
187.14764	1.6
193.04941	5.3
193.12233	15.4
211.13260	23.0
215.17902	9.6
233.18958	8.4
239.12750	2.0
257.13831	5.6
267.15884	12.2
285.16925	40.5
307.22650	67.1
308.22931	2.5
309.23590	1.9
312.32370	3.7
335.25809	5.9
385.09290	1.8
429.11545	3.1
443.31110	1.5
499.34058	7.8
517.35181	100.0
518.35480	6.1
607.78607	1.6
714.41925	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29380	0.9
53.03930	3.0
55.01855	2.6
55.05509	10.6
57.03434	10.2
57.07064	1.4
61.02911	3.2
65.03915	2.9
67.03403	1.0
67.05497	48.5
69.03405	3.0
69.07066	9.0
70.88409	3.0
71.04983	3.2
79.05480	25.5
80.55054	1.0
81.03409	36.1
81.07047	37.7
83.04959	3.6
83.08601	5.6
85.02892	12.4
85.06525	1.0
91.05468	64.1
92.05762	1.1
93.06434	2.2
93.07032	45.6
95.04949	5.4
95.08594	42.9
97.02914	2.3
97.06509	2.9
97.10134	1.7
99.08100	1.5
102.87770	1.0
103.62089	1.1
105.07013	13.2
107.08578	16.2
109.06493	2.3
109.10146	22.7
111.08057	2.5
116.02419	1.0
117.07025	6.3
119.08569	76.8
121.06504	5.0
121.10137	16.4
123.08026	2.9
123.11687	2.6
125.09552	1.4
129.06966	2.3
130.26088	1.1
131.08548	6.0
133.10106	6.0
135.08096	1.3
135.11670	8.4
137.09601	35.1
145.04944	1.2
145.10094	4.2
147.08008	7.1
147.11674	2.6
149.13240	4.2
159.11674	2.8
161.13246	3.5
163.11145	1.3
163.14819	2.8
165.09091	33.5
171.11714	1.8
173.13260	4.0
175.14777	1.6
183.10176	14.9
183.11746	1.9
184.07286	2.6
187.14778	1.7
199.09598	1.7
201.16298	1.5
239.12767	19.4
243.21037	2.8
255.12152	2.3
257.13815	64.7
261.22137	11.9
263.59589	1.1
317.24597	3.2
333.91840	1.3
335.25766	77.9
336.26154	2.9
362.32147	1.4
407.29379	2.5
425.30206	2.3
499.34125	13.8
517.35205	100.0
518.35693	5.3
538.97620	1.2
573.47760	1.4
599.50183	1.9
661.48645	1.1
743.28931	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07932	1.4
53.03933	4.9
55.01859	2.5
55.05503	13.6
57.03429	16.1
57.07051	2.0
61.02918	6.7
65.03906	3.0
67.05496	63.3
67.25211	1.2
69.03422	5.3
69.07056	13.4
69.70042	3.3
69.70432	8.0
71.04994	2.9
73.02913	1.8
79.05481	42.4
81.03407	50.9
81.07043	46.1
82.07393	1.3
83.04963	5.8
83.08614	6.9
85.02896	16.5
91.03935	2.0
91.05467	90.6
93.07030	59.7
95.04956	8.1
95.08597	53.6
97.02886	5.9
97.06508	4.6
97.10175	1.5
98.21392	1.6
99.04459	1.5
99.08089	1.8
105.07026	19.2
107.04940	1.7
107.08586	18.9
109.06516	3.0
109.10142	27.5
111.08074	3.3
117.06999	8.0
119.08564	97.3
121.06509	7.7
121.10138	19.1
123.08033	3.9
123.11700	6.1
129.06992	4.8
131.08549	7.7
133.10115	6.4
135.08052	2.7
135.11681	9.7
137.09596	44.2
137.13191	2.3
143.08548	1.8
145.10110	6.1
147.08003	9.3
147.11674	3.8
149.13216	7.3
153.09111	1.8
157.10016	1.6
159.11656	5.0
161.13246	4.0
163.14813	4.2
165.09106	41.5
168.28349	1.3
173.13257	5.4
175.14784	1.9
177.16331	1.5
183.10146	23.3
193.12247	1.7
211.13165	1.7
215.17889	2.1
239.12775	21.6
243.21085	4.7
257.13806	78.6
258.13937	2.2
261.22095	17.1
267.15961	2.1
283.15338	1.4
285.16925	3.1
307.22568	8.1
317.24789	4.2
335.25769	100.0
336.26117	3.8
407.29276	3.8
425.30457	3.4
499.34109	13.6
517.35193	74.4
518.35443	4.0
740.63965	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01862	4.2
55.05262	0.9
55.05503	8.1
57.03429	8.8
57.07036	1.3
59.04969	0.8
59.60677	0.4
60.08133	2.2
61.02891	1.1
65.03935	2.3
67.05495	37.7
69.03406	2.4
69.07060	6.5
69.55122	4.6
69.81190	0.5
71.04983	3.5
71.07354	1.7
79.05482	37.3
80.05814	0.6
81.03386	2.1
81.07042	27.8
82.07367	0.6
83.01332	0.7
83.04946	2.2
83.08620	3.9
85.02879	2.0
85.06516	1.4
86.09693	12.3
91.03931	0.6
91.04912	1.0
91.05463	18.9
93.03416	0.5
93.07030	34.4
94.07345	0.6
94.84317	0.5
95.04955	3.7
95.07994	1.1
95.08593	21.4
97.02882	6.5
97.06510	1.9
97.10143	1.7
98.98454	1.5
99.00792	1.3
99.04434	11.0
99.08071	0.6
102.09552	0.5
103.05470	1.1
104.10735	0.7
105.04494	0.9
105.07008	7.4
107.04936	11.7
107.08575	43.8
109.02882	0.6
109.06484	1.9
109.10137	8.1
111.04421	2.6
111.08077	1.0
115.05461	2.3
117.06999	30.2
119.04932	0.7
119.06019	0.8
119.08556	8.2
121.06487	10.5
121.10124	9.6
123.11704	2.6
124.99986	8.0
125.09597	3.6
131.08548	4.9
133.06438	0.7
133.10124	3.2
135.08029	54.1
135.11656	6.0
136.08363	1.5
137.09604	1.1
137.13261	0.7
145.06474	6.2
145.10081	3.6
147.11671	2.7
149.09607	0.5
149.13248	3.7
153.09077	7.5
159.11642	3.2
161.13222	2.1
163.07520	44.9
163.14798	2.5
164.07819	0.7
173.13245	2.7
175.14803	0.7
177.16272	0.7
181.08565	11.6
184.07312	36.1
187.14746	1.2
196.36151	0.5
199.09628	77.6
200.09978	2.2
215.51273	0.5
243.21053	5.1
249.71669	0.6
255.12231	100.0
256.12601	2.4
261.22119	16.3
299.23523	0.6
301.81824	0.6
317.24725	2.6
335.25751	66.3
336.25964	2.9
377.13165	0.5
441.30194	1.4
515.33630	51.4
516.33795	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01861	10.5
55.05505	10.7
57.03430	17.2
57.07051	1.2
61.02914	7.2
63.13798	1.0
65.03925	2.4
67.05499	50.5
68.05503	1.0
69.03409	2.9
69.07065	13.7
69.98517	1.4
69.98920	4.5
71.04964	1.5
73.02904	1.2
79.05020	2.6
79.05484	55.1
81.03406	9.7
81.07044	43.7
81.07529	1.7
83.01328	7.9
83.04982	2.1
83.08616	5.3
85.02900	8.3
85.06490	1.7
86.09715	2.1
91.03955	2.1
91.05469	78.1
92.05835	1.2
93.07032	53.7
95.04940	5.9
95.08598	36.3
95.09081	0.6
97.02892	5.3
97.06527	4.0
97.10172	1.8
98.21416	1.2
99.04428	1.3
105.07013	15.0
107.04926	5.6
107.08578	46.3
109.06520	4.5
109.10143	15.1
111.04442	1.5
111.08075	2.6
115.05429	7.0
117.07005	53.3
118.07345	1.6
119.08569	13.3
121.06483	1.5
121.10132	16.0
123.08077	1.4
123.11676	4.8
124.99941	1.3
125.09617	2.1
129.06961	1.2
131.08543	9.6
133.10115	8.4
135.08040	64.2
135.11662	10.3
137.09599	4.0
137.13329	1.4
143.07021	3.2
145.06493	1.4
145.10085	6.9
147.11649	5.6
149.13254	6.2
153.09090	4.0
157.10080	1.6
159.11691	7.1
161.08035	1.2
161.13300	5.5
163.07524	11.8
163.14812	3.9
165.09102	1.6
171.11720	1.5
173.13231	6.4
175.14807	2.0
177.16328	1.5
181.08586	5.1
184.07300	4.8
185.13196	1.9
187.14781	3.2
194.84723	0.9
199.09608	9.0
199.14854	1.2
201.16415	1.5
231.32120	0.9
239.12749	1.2
241.19620	1.5
243.21066	5.8
255.12247	100.0
256.12723	1.8
259.20703	1.5
261.22095	17.1
299.23679	3.2
317.24783	3.3
333.24265	2.4
335.25769	85.0
336.25995	2.9
395.29117	1.6
405.27914	3.2
423.28885	2.1
441.29816	1.3
479.31259	1.2
487.33597	1.6
497.32501	5.2
515.33655	41.1
516.33850	2.7
533.34680	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.9
53.03939	3.6
55.01862	3.3
55.05504	21.2
57.03430	17.4
57.07039	2.3
61.02913	5.6
65.03896	2.4
67.05496	50.3
69.03417	4.0
69.07059	12.1
70.06571	3.5
71.04977	6.0
73.02887	1.3
73.06511	0.7
77.03901	0.8
79.05484	58.6
81.03406	50.0
81.07043	53.0
83.04499	1.1
83.04964	14.3
83.08608	20.0
85.02895	23.7
85.06519	3.1
88.80837	0.7
91.03912	2.3
91.05465	43.4
93.07030	56.0
94.07328	0.8
95.04955	22.6
95.08591	29.9
96.20264	0.6
97.02319	0.6
97.02877	4.7
97.06512	5.2
97.10152	3.9
99.04412	0.7
99.08082	4.0
100.54021	0.7
100.83459	0.6
104.99358	0.6
105.04479	0.8
105.07019	27.0
107.04954	5.1
107.08579	20.9
109.06509	4.8
109.09412	0.8
109.10139	13.1
111.04388	2.1
111.08076	8.3
113.05951	2.0
113.09671	0.7
115.05382	1.3
117.06985	6.6
119.04843	0.6
119.08572	23.7
121.06478	1.4
121.10130	28.0
123.08022	2.6
123.11691	6.8
125.09582	2.4
129.06975	8.9
130.07742	0.8
131.08548	16.6
133.06465	1.6
133.09157	1.2
133.10115	18.3
135.08043	1.0
135.11671	14.0
137.09570	3.1
137.13264	0.7
142.07729	2.7
143.08554	1.2
143.31870	0.8
145.10100	9.0
147.08002	2.1
147.11661	15.1
149.09570	5.4
149.13264	6.3
151.11052	0.8
155.08565	0.7
157.10106	13.0
159.11635	6.3
161.13235	1.5
163.11110	2.6
165.12692	2.5
171.11700	1.2
173.13258	4.1
175.11153	12.6
175.14839	1.3
177.12753	1.1
177.46635	0.6
187.14891	0.7
189.16354	0.8
193.12216	33.4
194.12639	0.6
205.19501	1.6
211.13261	45.6
212.13632	1.4
215.17902	12.5
227.59099	0.8
233.18967	10.6
239.12883	1.0
257.56271	0.6
267.15869	13.1
273.21841	0.9
285.16916	56.0
286.17264	1.1
289.21475	0.9
300.97107	0.7
307.22638	87.6
308.23007	2.3
335.25894	1.0
345.97348	0.6
407.29410	1.8
425.30566	1.0
499.34180	11.9
517.35181	100.0
518.35638	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.05505	17.0
56.97386	2.3
67.05495	49.9
69.07051	11.6
71.04993	2.9
78.56311	2.6
79.05477	55.1
80.05787	4.3
81.03399	7.1
81.07048	36.6
83.04971	5.4
83.08595	7.3
85.06528	3.1
91.05466	39.7
93.07030	53.2
95.04930	12.0
95.08583	29.0
97.10149	3.3
99.08088	4.6
105.07014	25.1
107.08559	15.7
109.06520	3.0
109.10141	13.0
116.53899	2.5
117.07037	4.3
119.08577	17.9
121.10120	17.2
123.08109	3.1
129.06984	9.9
131.08542	7.3
133.10115	8.5
135.11688	7.9
143.08499	3.7
145.10095	7.7
147.11641	16.6
159.11700	2.9
161.13219	6.4
171.11655	9.0
189.12840	2.8
207.13806	8.0
215.17938	9.0
233.18982	4.1
253.14311	6.3
281.17447	32.0
307.22614	46.1
387.99991	3.1
513.35669	100.0
514.35840	7.3
612.46918	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
55.01863	2.0
55.05230	0.8
55.05500	12.7
57.03155	0.7
57.03432	9.2
57.07045	1.5
61.02919	1.3
65.03944	1.5
67.05495	36.9
68.08337	0.6
69.07059	9.5
70.00736	3.9
71.04956	1.9
73.02929	1.2
77.03889	0.9
79.05481	41.4
81.03406	1.9
81.07044	31.5
81.24404	0.6
83.04955	1.7
83.08607	7.5
85.02893	1.5
85.06510	1.9
91.05461	16.3
91.62684	0.6
93.07029	50.8
95.04956	7.1
95.08591	37.6
97.02874	3.0
97.06509	3.5
97.10150	0.8
99.04427	2.9
99.08076	2.1
103.05500	1.0
105.04473	1.0
105.07013	11.9
107.04946	4.8
107.08578	24.1
109.06497	2.1
109.10140	8.8
111.04409	1.1
111.08050	1.5
114.90508	0.7
115.05389	0.8
117.06998	7.1
119.08566	10.8
121.06470	3.8
121.10129	23.7
122.66006	0.6
123.08051	1.4
123.11700	2.8
125.05969	2.0
129.06918	0.9
130.07782	1.3
131.08568	4.1
133.10098	6.0
135.08049	2.3
135.11674	39.4
136.12009	1.0
139.07451	0.8
145.10107	22.9
146.10510	0.7
147.11678	2.6
149.13275	3.3
151.11166	0.9
159.11705	2.7
161.13182	0.9
163.11159	41.5
164.11478	1.1
173.13263	1.9
175.14857	0.8
181.12215	6.5
183.11761	0.7
187.14792	0.9
215.17914	7.7
227.12746	56.1
228.13055	1.2
233.18990	6.9
255.12181	1.8
257.70721	0.7
261.62503	0.7
283.15353	50.6
284.15710	1.2
289.20941	0.7
307.22632	100.0
308.22910	3.1
335.25751	1.6
395.08438	0.7
515.33624	74.0
516.34143	5.0
537.47552	0.6
621.77423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.9
53.03933	4.8
55.01870	8.3
55.05504	26.4
57.03429	20.4
57.07078	3.6
59.04981	2.5
61.02918	8.0
65.03915	2.1
67.05496	54.7
68.05832	0.7
69.03409	3.2
69.07062	9.8
69.55158	7.0
71.04982	5.9
71.08598	0.8
73.02892	2.9
79.05482	57.9
81.03409	11.2
81.07046	53.5
81.07439	0.8
83.01328	9.3
83.04964	13.0
83.08609	15.1
85.02890	10.6
85.06522	2.6
91.03950	3.9
91.05466	33.0
92.05770	1.1
93.07030	73.7
94.07330	1.1
95.04959	11.2
95.08594	33.7
95.28940	0.8
97.02870	6.4
97.06514	7.1
97.10159	3.7
99.04440	2.3
99.08073	3.7
103.05460	0.7
103.89080	0.7
105.04554	0.7
105.07020	24.1
106.98125	0.8
107.04935	7.6
107.08578	30.6
109.02868	0.9
109.06498	8.5
109.10139	16.3
111.04416	2.2
111.08070	3.6
113.09576	1.1
115.05413	0.7
117.07006	13.3
119.08568	19.5
121.06510	3.8
121.10124	32.4
123.08066	9.0
123.11684	4.7
125.05984	1.3
125.09605	4.5
126.45641	0.7
128.72461	0.7
129.06985	2.5
130.07761	2.4
131.04913	0.8
131.08551	14.1
133.10123	13.2
133.11111	1.1
135.08089	3.5
135.11676	30.7
137.09584	3.0
137.13249	1.0
143.08565	1.5
145.10101	26.5
147.08025	2.4
147.11664	7.1
149.09589	1.8
149.13249	8.6
151.11191	1.9
153.12730	3.4
155.08527	1.9
157.10098	1.6
159.11674	9.4
161.13257	1.9
161.44547	0.7
163.11160	24.6
163.14789	1.1
164.11478	0.8
171.11641	2.1
173.09633	2.9
173.13260	7.0
175.14801	1.1
181.12234	2.9
184.07332	2.9
185.13200	1.6
187.14896	1.6
189.11208	1.8
191.10649	2.7
205.19461	1.9
209.11646	6.3
211.13106	0.8
211.14917	0.8
213.16376	1.1
215.17926	22.9
227.12737	8.6
231.17384	1.3
233.18979	22.3
234.19267	1.0
237.68199	0.7
245.14000	0.8
251.20117	0.8
258.00366	0.8
271.20593	3.2
283.15366	100.0
284.15714	2.4
289.21643	2.5
305.21167	0.9
307.22635	91.4
308.23044	2.9
318.37875	0.7
335.25912	0.9
405.27847	1.4
410.12540	0.7
423.28659	2.6
441.29898	1.6
459.31531	0.9
497.32520	2.8
515.33667	59.1
516.33905	3.0
533.34314	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	2.0
53.03939	13.5
55.01855	10.2
55.05265	2.9
55.05507	37.7
57.03426	8.8
57.07067	4.8
64.56159	2.3
65.03928	5.5
67.05499	88.5
69.03412	6.3
69.07061	23.8
71.04985	6.1
71.75801	4.2
79.05488	92.2
81.03413	73.5
81.07048	89.8
83.04989	9.9
83.08607	19.6
85.02927	2.9
85.06538	5.4
89.03945	2.6
91.05473	86.6
93.07038	100.0
95.04965	30.8
95.08599	54.5
97.02947	2.5
97.06539	9.3
97.10171	6.6
99.08073	2.5
103.05442	5.3
105.07018	58.1
107.04948	6.0
107.08575	44.5
109.06523	8.2
109.10143	21.7
111.08083	6.7
113.06061	2.3
114.59653	2.1
115.05444	5.0
117.03387	2.6
117.07002	15.6
119.08571	43.0
121.06471	6.1
121.10126	45.2
123.04426	6.3
123.08076	5.5
123.11710	8.0
129.07007	13.4
131.04942	6.6
131.08559	30.3
133.02811	4.1
133.06493	4.7
133.10115	31.1
135.04428	7.0
135.08066	2.6
135.11699	16.6
137.09625	4.1
141.06944	2.9
143.04910	4.0
143.08559	6.1
145.02814	2.6
145.06488	7.1
145.10144	13.5
147.04408	11.1
147.08034	3.1
147.11684	26.8
149.05984	8.7
149.09619	15.3
149.13269	9.3
151.03857	1.9
151.11224	7.0
153.06973	3.3
155.08566	3.4
157.06526	9.2
157.10080	10.6
159.04402	18.4
159.11703	8.7
161.02312	10.0
161.06003	7.0
161.13269	8.8
163.03886	67.7
163.07498	2.6
163.11211	4.5
165.05498	8.1
165.06932	3.6
165.12799	8.1
167.08577	2.2
169.06482	4.0
171.04398	3.4
171.07994	3.7
173.02322	26.9
173.05966	16.4
173.13318	6.7
175.03967	4.5
175.07535	3.6
175.11237	7.9
175.14854	2.3
177.05530	3.6
177.12836	1.9
179.08563	3.4
179.14346	1.9
181.06511	5.3
183.08055	6.9
183.11784	2.5
185.05951	13.9
185.09618	3.0
185.13287	2.2
187.03891	30.9
187.07593	7.5
187.14848	3.4
189.05478	6.9
189.09108	2.3
193.12268	14.1
195.08086	5.6
195.13829	3.5
196.08847	2.1
197.05928	2.9
197.09633	3.4
197.13329	2.4
199.03810	13.6
199.07593	7.7
201.05443	13.9
203.03380	2.8
205.04829	2.9
207.08098	3.2
209.09605	2.1
211.07559	9.1
211.13301	8.3
213.05444	27.2
213.09045	3.9
215.03343	2.1
215.07071	6.1
217.04950	5.0
219.08098	2.3
221.13351	2.7
223.07707	3.0
225.05457	3.8
225.09218	3.1
227.07036	4.2
227.10529	2.3
229.04980	2.8
233.09450	3.0
237.09171	3.4
241.08630	2.5
241.12253	2.8
243.13937	2.3
247.11113	3.5
249.12683	3.4
259.20596	10.5
261.22171	11.8
264.72955	2.1
265.12167	3.2
267.13757	46.3
267.16290	3.2
277.21628	7.5
283.13367	8.5
285.14966	5.0
293.11868	9.4
293.15015	2.7
309.14920	6.8
311.12827	26.2
311.16473	13.5
313.14252	2.7
317.24640	5.9
327.15778	11.7
329.13733	2.9
329.17520	2.4
333.17181	3.2
333.24329	2.9
335.25720	27.1
337.14261	11.9
338.35138	2.1
355.15390	84.1
356.15817	3.2
357.16977	13.6
373.16553	5.6
411.18140	2.5
423.25647	2.7
429.19107	57.9
431.20834	7.4
447.20068	4.7
527.33966	2.4
587.37030	5.8
597.35492	5.7
605.38324	2.3
615.36401	15.7
633.37714	17.8
661.41345	3.7
671.39862	3.9
679.42133	29.2
689.40564	43.6
690.41266	3.1
707.41461	99.7
708.41364	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.1
55.01853	8.3
55.05498	29.9
57.03420	6.9
57.07053	4.8
63.66272	2.2
65.03922	7.4
65.96953	1.9
67.05129	4.8
67.05494	85.5
69.03429	3.3
69.07060	23.2
71.04979	5.4
71.75655	2.8
77.03920	1.9
79.05481	82.4
80.05791	2.7
81.03404	63.1
81.07043	81.9
82.07395	2.6
83.04974	10.9
83.08620	19.1
85.06535	3.6
89.03902	2.6
91.05466	69.4
91.06037	4.1
92.85056	2.2
93.07030	93.3
95.04964	24.8
95.08593	51.8
97.06528	7.7
97.10154	7.8
103.05421	3.6
103.27892	2.1
105.07011	54.9
107.04943	8.1
107.08577	42.9
109.06495	8.2
109.10130	24.7
111.04438	3.1
111.08058	5.8
113.05920	2.4
115.05446	5.1
116.06232	1.9
117.03341	3.3
117.06994	12.8
119.04945	2.2
119.08562	33.7
121.06505	5.6
121.10124	42.3
123.04399	10.0
123.08053	5.6
123.11714	7.6
125.09633	3.2
128.06183	4.8
129.07019	13.5
131.04926	7.7
131.08537	28.9
133.02867	5.0
133.06528	3.4
133.10103	28.4
135.04419	8.5
135.08028	2.6
135.11674	13.8
137.05943	2.1
137.09581	4.1
141.06976	5.9
142.07732	2.7
143.08559	5.9
145.06468	7.9
145.10103	17.0
147.04369	9.6
147.08095	2.5
147.11655	20.3
149.05989	7.1
149.09601	16.2
149.13237	8.6
151.11162	3.5
153.06972	2.8
155.08556	5.5
157.06464	7.7
157.10081	12.5
159.04390	18.4
159.08070	2.9
159.11670	10.5
161.02318	12.9
161.05959	9.5
161.13222	6.2
163.03877	45.7
163.05130	3.4
163.07523	3.4
163.11127	3.0
163.14853	4.1
165.05470	9.1
165.06760	2.5
165.12779	5.1
167.08620	3.2
169.06427	3.4
171.04431	3.6
171.08046	4.6
171.11667	3.0
173.02322	23.3
173.05885	10.5
173.13264	6.8
175.03934	8.9
175.07472	3.7
175.11195	7.3
175.14919	3.0
179.08421	2.7
181.06441	6.5
183.08081	6.8
184.07326	2.4
185.05927	10.4
185.09624	2.8
185.13219	3.0
187.03859	26.5
187.07545	7.1
187.14844	3.8
189.05489	5.8
193.12193	11.7
195.08073	6.7
195.13817	4.1
197.06029	5.0
197.09581	2.9
199.03836	10.9
199.07567	6.5
199.14926	3.1
201.05463	12.8
201.09071	2.1
203.03426	3.2
207.08012	3.2
209.09676	4.9
211.07492	5.6
211.11295	2.6
211.13245	8.6
213.05424	26.7
213.08981	4.4
215.03503	2.7
215.07045	5.8
221.13281	2.2
223.07617	2.7
223.11165	2.6
225.05484	2.6
225.09062	3.9
227.07124	5.6
227.10625	2.1
229.08623	2.2
235.11159	3.9
237.09081	4.1
239.07123	2.9
241.19398	2.1
243.20987	3.6
244.48894	2.1
249.12611	2.3
251.14383	2.3
255.13914	2.4
259.20602	6.6
261.22180	11.6
263.10617	3.0
265.12256	2.4
267.13715	31.9
267.16116	2.4
277.21631	9.6
283.13434	7.9
285.14771	4.5
293.11600	6.9
309.14941	4.3
311.12769	18.9
311.16446	7.8
313.14529	2.6
317.24664	3.9
327.15750	5.4
329.14017	2.9
333.16806	2.5
333.24301	4.7
335.25735	25.0
337.14383	12.5
355.15372	57.9
357.17041	12.8
373.16507	7.4
401.08508	2.6
411.17856	3.1
423.25171	3.6
429.19034	51.3
429.92874	2.0
430.19452	2.5
430.89600	2.3
431.20621	6.3
447.20029	3.9
485.12149	2.3
537.33252	2.0
543.34216	2.8
587.37396	4.1
597.35541	6.8
605.38043	3.5
615.36725	17.3
623.39056	5.6
633.37860	26.8
651.38995	4.4
661.41003	4.9
671.39301	3.1
679.42010	37.7
680.42664	3.3
689.40350	51.8
690.40411	5.0
707.41351	100.0
708.41724	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96655	1.9
53.03926	6.4
55.01847	5.3
55.05494	5.7
57.03420	5.0
57.07062	2.6
65.03928	3.7
67.05502	21.6
69.03414	7.0
69.07057	7.2
69.69835	6.6
69.70258	9.7
71.04983	13.4
79.05488	19.7
81.03402	15.8
81.07046	8.2
83.04975	6.1
85.02900	18.5
91.03928	2.4
91.05467	19.4
93.05763	4.6
93.07038	17.4
93.63023	2.5
94.06572	15.3
95.04942	14.0
95.07318	6.1
95.08578	6.1
96.08113	12.8
97.02882	7.3
97.06522	29.4
97.10143	4.2
98.21383	3.8
103.05444	2.4
105.01851	4.3
105.07003	5.2
106.06562	2.4
107.04934	4.7
107.07320	4.7
107.08549	6.5
108.08107	22.9
109.02847	3.5
109.06519	4.9
109.10134	5.0
110.09681	19.9
111.42325	1.9
117.06972	5.8
118.06578	4.1
119.08575	7.0
120.08088	34.1
121.06460	3.5
122.06005	20.8
122.09666	14.5
123.04450	3.9
123.06741	2.2
123.08003	2.0
127.03894	6.2
128.06201	2.9
129.06963	6.4
129.41698	2.1
130.06464	3.7
131.04967	2.7
131.07289	12.1
131.08554	3.4
133.06453	3.1
134.05972	4.3
134.09637	5.5
135.04407	3.9
135.08017	5.1
136.07559	35.5
137.05925	2.8
137.09566	3.0
138.09119	42.9
143.07170	2.9
143.08478	3.0
145.05066	3.0
145.06410	5.1
145.08846	3.1
146.09590	10.4
147.07996	2.9
148.07523	8.9
149.05965	4.3
149.09624	3.3
152.10664	11.8
156.09441	2.2
157.08820	2.2
158.09599	5.2
159.10358	3.7
159.11674	2.5
160.07498	2.8
161.02324	4.8
161.09538	2.3
162.05507	3.1
162.09099	4.3
163.03865	4.4
163.07489	2.8
164.07066	4.2
165.09074	4.5
166.08592	15.7
171.10393	2.7
172.11179	3.1
173.02312	8.0
173.09633	3.2
174.09129	29.8
174.12773	2.9
177.05287	2.5
177.09129	3.6
181.08575	10.7
186.09081	3.2
187.03831	2.6
188.10732	4.1
190.08574	4.5
192.10153	2.9
193.12366	2.6
198.09157	3.2
200.10686	6.9
202.08612	4.1
202.12236	9.4
213.09996	3.0
214.12244	7.4
215.06737	10.5
216.13811	3.4
218.11728	3.3
220.09613	17.0
222.07594	2.1
222.11220	3.5
224.09337	2.6
225.10234	4.4
226.08595	2.7
226.10884	2.8
227.08141	6.6
227.11707	4.6
228.10240	6.5
230.11821	2.7
231.05016	2.6
232.09727	2.2
236.05530	3.0
236.09145	28.9
237.10138	4.5
241.06070	4.2
241.09637	5.1
242.11765	16.1
244.09770	3.3
251.07903	4.0
253.09648	4.2
255.07559	3.6
255.11275	5.1
258.13617	2.4
259.07098	5.4
260.12845	2.9
261.18341	3.0
262.18793	4.5
267.07742	2.7
269.04346	2.5
276.20288	2.7
279.19504	8.7
280.19711	13.6
281.04617	3.1
281.09058	4.5
282.05289	2.7
283.07040	12.8
283.10440	6.3
285.08630	2.6
287.10321	3.1
288.12268	3.8
289.17938	3.1
297.12122	3.6
299.05469	8.8
299.10266	2.8
299.15219	2.4
300.06265	2.9
303.10324	2.4
315.09698	9.8
318.12610	3.4
328.05838	14.0
329.06915	5.2
329.11526	2.4
332.14389	2.4
333.10950	3.6
334.15457	3.8
336.13431	2.9
339.09915	2.7
353.13745	2.8
357.10825	7.8
358.15787	2.8
360.13571	3.0
376.16806	3.4
380.16168	3.8
385.10345	5.2
386.14694	3.0
388.16129	2.3
390.18317	2.8
395.11337	10.4
400.16467	2.4
402.18204	3.2
403.11176	2.3
404.20081	4.4
406.13873	6.2
407.11090	3.1
424.14850	3.7
425.12253	77.3
426.12393	6.0
437.12177	3.0
438.16437	6.9
443.13419	2.5
446.17126	5.3
449.19620	2.7
466.19296	3.1
476.17773	4.2
477.18219	5.0
480.17578	7.3
487.17273	6.1
492.17572	4.6
494.19110	3.0
497.15463	3.8
504.17050	2.6
506.15274	9.6
507.12643	4.5
508.20886	2.6
510.18951	13.6
524.16534	10.0
525.13623	16.8
536.20374	11.2
543.14838	8.5
554.21313	62.5
561.15942	9.8
580.23444	3.4
581.23969	4.6
585.24176	5.0
595.60242	2.8
607.21558	3.1
611.24750	7.1
613.26410	12.9
625.22638	4.7
629.25836	9.0
631.27594	16.0
639.24487	42.2
657.25433	69.9
658.25439	4.0
661.28571	3.0
675.26520	100.0
676.26196	6.2
707.26660	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.5
53.03929	1.6
55.01850	0.8
55.05500	1.3
57.03420	1.3
65.03939	0.8
67.05495	4.4
68.05008	0.6
69.03409	1.3
69.07044	1.6
70.06593	0.5
71.04963	1.3
71.75188	0.6
71.75581	0.7
74.50898	0.5
79.05479	7.1
80.04993	2.6
81.03404	4.7
81.05772	1.7
81.07050	2.5
82.06553	2.4
83.04951	0.8
83.08607	1.3
85.02881	2.2
86.76138	0.5
91.05464	7.7
92.05801	0.5
93.05766	1.3
93.07027	12.6
94.05962	0.7
94.06554	13.0
95.04971	4.7
95.07330	14.9
95.08580	1.9
96.04498	0.5
96.08116	22.2
97.02872	0.9
97.05940	0.7
97.06517	6.8
103.05457	2.7
105.04527	0.6
105.05772	1.2
105.07001	1.7
106.06547	2.9
107.04945	0.8
107.07334	2.7
107.08590	1.1
108.07353	1.0
108.08099	16.4
109.06535	0.6
109.08885	1.6
109.10154	1.0
110.05949	0.6
110.09660	41.4
111.09982	0.5
115.05425	0.5
118.06516	1.9
119.07282	1.0
119.08559	1.7
120.08085	40.9
121.06496	1.8
121.08925	2.8
121.10133	0.7
122.06036	3.0
122.09658	4.6
123.06807	1.9
124.07587	1.5
128.06200	0.6
129.06950	1.1
131.07310	1.2
131.08557	1.2
133.10138	0.7
134.09645	1.1
135.08051	0.5
136.07555	11.2
137.09464	0.6
138.09116	100.0
139.09456	1.2
140.34653	0.5
141.06956	0.6
144.08032	1.1
145.06543	0.7
145.08856	0.6
145.10092	1.1
146.09634	2.4
148.07530	5.1
148.11107	0.8
149.09508	0.6
150.09116	2.9
157.10068	0.7
161.02310	1.1
161.09634	0.5
163.03889	0.9
163.11243	0.6
166.08614	27.1
167.08919	0.6
171.09181	0.8
173.02368	2.4
173.07130	0.6
174.09120	2.9
174.12950	0.5
176.10674	0.9
177.05444	0.7
185.07161	0.7
187.08682	0.7
188.10736	1.3
193.12248	0.7
199.08662	1.3
202.12257	1.7
211.08687	0.6
213.06509	1.5
213.10248	0.6
214.08847	1.0
214.12253	0.8
215.05019	0.6
215.07042	2.4
216.10121	0.6
220.09702	1.1
223.08655	0.8
225.06758	0.8
226.08774	0.6
227.04465	0.5
227.08128	6.5
229.06157	0.8
232.04745	0.5
232.09634	0.7
233.05635	1.1
239.08185	1.6
241.06046	1.5
241.09538	2.3
242.11942	2.6
243.07669	2.7
251.08253	2.2
252.08727	0.6
253.06165	0.5
253.09744	1.0
254.10489	0.6
255.07637	5.6
255.11342	1.1
259.07089	0.8
263.08115	0.7
264.09018	0.6
265.06070	2.0
265.09583	1.2
267.07645	2.2
267.15921	1.9
268.08344	0.8
268.16153	1.1
269.09189	3.1
271.07068	1.5
273.08670	0.8
275.06558	1.7
275.09991	0.8
277.05759	0.6
279.07559	3.1
281.09177	1.9
283.07056	4.1
283.10538	2.1
283.15317	0.6
285.08780	0.6
285.12451	1.0
285.16803	0.9
287.10223	1.1
289.08194	0.6
293.09320	1.1
295.06995	1.4
297.08600	2.9
299.05600	1.5
301.08057	1.1
301.11145	0.8
302.09106	0.6
304.11066	0.5
309.08301	0.6
311.10193	2.3
313.08160	1.2
315.09695	8.0
316.10519	0.9
318.12421	0.6
327.10001	0.6
329.11227	3.7
339.09702	0.7
341.11353	0.5
343.13098	1.3
344.13943	0.6
346.12012	0.7
355.09097	0.6
356.10025	0.5
360.17188	0.7
369.11420	0.8
371.12930	1.5
373.10126	0.5
376.16568	0.8
378.14240	0.5
386.15039	1.6
388.12433	1.0
388.16592	1.4
389.13708	0.6
392.16043	0.7
395.11197	2.0
396.13382	1.1
397.12137	0.8
399.12372	0.7
404.16083	1.3
406.13431	0.7
406.18216	0.6
411.10666	0.7
412.13077	0.8
413.13287	0.7
414.14465	4.2
415.15173	0.7
425.12241	6.6
427.13422	0.5
432.15540	2.1
432.42548	0.5
438.16473	5.4
442.13950	1.8
443.13275	0.5
446.17194	0.7
448.18555	2.6
449.12329	0.7
457.14832	0.6
460.27808	1.0
464.18100	2.7
466.19687	15.3
466.26440	0.8
467.20062	0.9
472.14792	0.6
474.16507	2.0
475.14484	0.5
478.28595	0.7
487.17328	1.0
490.16019	2.7
492.17596	30.3
493.17828	1.4
509.17715	0.8
510.18665	31.7
511.18463	0.9
525.17615	1.0
543.15607	1.7
561.16736	1.1
567.26135	0.6
569.23865	1.0
585.27380	3.7
587.24969	1.6
611.24811	3.2
613.26746	1.1
615.24451	0.5
629.26056	3.8
639.23999	1.5
657.25616	2.7
675.26489	5.8
689.27661	0.8
707.25653	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85551	0.4
69.61035	3.1
82.99871	1.4
96.93161	0.4
97.02839	0.7
98.21525	0.5
101.00860	3.0
101.01411	0.4
113.00864	0.8
119.01904	13.7
122.01340	0.7
127.02390	0.9
128.01317	0.4
129.03946	0.4
131.01900	6.2
131.51974	0.9
137.01944	0.9
137.02939	1.7
137.51961	0.6
139.02354	0.4
143.00751	0.8
143.01883	17.2
145.03438	6.8
147.01324	0.9
149.02942	0.5
152.02411	1.8
155.01860	9.0
156.01970	0.4
157.03432	3.9
158.02373	0.6
161.01602	1.0
161.02946	19.1
162.03108	0.6
163.04510	1.4
163.30266	0.4
167.01868	5.2
167.03006	0.6
169.03479	2.7
171.05011	2.6
173.02933	18.7
173.53015	0.5
174.02948	0.5
175.04497	1.3
179.01788	2.5
181.03497	0.7
182.03447	0.6
184.04666	0.8
185.02936	36.8
186.03078	1.3
187.04507	3.8
188.03348	0.4
189.06123	0.5
191.03979	0.9
194.03387	0.7
196.04582	0.5
197.02933	14.1
198.03096	0.5
199.04485	1.0
203.03989	10.9
203.54167	0.6
204.03966	0.4
208.04495	1.1
209.02934	1.5
215.03981	7.7
216.04315	0.5
220.04547	0.5
221.05008	0.8
224.04469	0.8
227.03976	7.7
233.05028	0.5
238.05557	0.5
239.03957	0.8
245.05042	100.0
246.05130	4.0
254.05583	0.6
257.04974	4.7
263.06119	13.1
269.04974	0.4
275.03253	0.9
275.06055	11.0
276.06302	0.5
284.06613	2.7
284.56613	1.0
285.06543	0.5
286.07642	1.1
293.07156	3.4
305.07147	11.8
306.07404	0.5
317.07120	0.8
335.08206	3.9
347.08234	1.1
365.09256	44.7
366.09369	2.6
383.10321	3.7
406.11722	0.6
407.10016	0.7
425.11359	36.2
426.11505	2.1
437.11316	2.7
440.07339	0.4
455.12259	2.3
485.13324	0.5
554.55518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05495	1.2
57.03418	2.9
58.58039	0.9
67.05476	3.9
68.46909	1.1
69.03427	1.2
69.69964	2.5
69.70372	6.7
70.06561	3.0
71.04987	6.6
72.08130	1.3
79.05468	3.6
81.07027	1.3
84.08163	1.2
85.02892	6.8
86.09666	1.3
91.03885	1.0
91.05450	3.3
93.07011	3.3
94.06544	4.7
95.07291	1.6
95.08560	1.9
96.08116	3.1
97.02888	1.2
97.06513	2.4
98.21397	2.1
103.05438	2.1
105.05784	1.1
106.06543	2.9
107.07310	1.5
108.08094	10.2
110.09640	4.2
118.06517	2.2
120.08083	41.2
121.08875	2.6
122.06010	14.3
122.09647	20.0
129.05441	1.4
129.06958	2.3
131.07278	14.1
132.08081	1.3
134.09651	2.1
136.07539	5.9
137.05931	2.8
137.09615	1.0
138.09116	20.3
144.08035	1.2
146.09619	20.0
150.05472	5.1
150.09142	2.2
153.01814	4.1
158.09583	1.3
159.06775	2.1
160.07570	1.9
162.05453	3.5
162.09111	1.6
163.03915	3.2
164.07057	5.5
165.01831	1.4
166.08589	3.0
168.71928	1.1
174.09123	100.0
175.09448	1.3
186.09061	1.2
190.08603	1.2
192.10159	44.0
193.10410	1.3
197.07094	2.0
198.09247	1.1
203.11946	1.2
205.83112	1.1
209.10649	1.3
211.08633	1.9
213.10280	6.4
215.08510	1.2
218.08086	1.3
220.10559	1.4
225.06604	7.2
225.10141	1.3
226.07187	1.8
229.09708	1.4
234.11168	1.2
236.09192	12.9
237.10165	5.4
239.08128	4.3
240.08934	4.4
241.09622	3.9
243.07642	3.0
243.11221	2.8
244.08365	1.3
249.10184	2.7
251.08235	1.1
253.09717	1.5
255.11075	1.9
257.09119	3.2
257.12463	1.1
258.09659	1.1
265.09641	6.9
267.07947	2.1
267.11255	13.7
269.09100	1.4
269.12720	1.5
271.10657	2.3
277.09503	1.2
283.10519	2.4
285.08694	26.6
285.12164	4.1
286.09219	2.3
287.10172	2.0
287.13855	1.6
293.09216	3.0
295.10721	3.0
297.08783	1.9
297.12131	1.3
298.04846	1.2
299.13885	1.9
300.10907	1.8
303.09695	2.2
311.10086	5.0
314.12811	1.2
314.16565	1.3
314.35120	1.3
317.11261	13.5
321.08560	4.7
323.10303	1.4
325.11462	1.4
327.14871	1.2
328.11328	1.6
339.09744	24.2
340.10233	2.2
341.11411	1.3
342.15912	1.7
343.13089	1.9
346.15073	1.2
347.12292	2.1
355.08102	6.9
356.13489	1.4
357.10797	5.7
361.10593	1.4
371.12308	11.8
381.09677	13.7
381.14389	1.8
382.09659	1.7
387.16223	1.5
388.16867	2.0
399.10757	16.5
400.11295	1.4
400.16602	2.5
402.18024	2.9
417.17474	2.6
418.17303	1.9
425.12393	2.3
430.17538	4.7
432.19446	2.4
433.17242	2.2
440.15784	1.2
448.18463	4.4
458.17236	8.6
460.18555	1.4
462.20532	1.5
476.17975	8.8
480.21463	5.1
490.19519	5.1
491.20303	4.9
492.20941	2.9
508.20758	60.7
509.20923	3.7
518.18860	2.5
525.13812	3.6
536.20221	2.5
540.23273	12.0
541.23517	1.9
543.14636	2.2
550.21771	3.0
561.15326	1.3
581.23456	2.4
599.24097	1.7
607.21564	3.4
613.26166	4.1
625.22974	8.9
639.24048	4.3
643.23859	7.5
648.00360	1.4
657.25543	18.5
671.26453	2.3
675.26337	14.5
689.27991	12.6
707.28906	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51976	0.2
56.05011	0.7
57.07060	0.5
58.06588	0.3
60.08154	6.2
67.05484	0.4
69.07053	0.2
69.42083	1.8
71.07360	3.1
79.05492	0.2
81.03371	0.3
81.07047	0.5
86.09692	31.3
87.04443	1.5
87.09995	0.3
91.05455	0.3
93.07043	0.3
95.08586	0.2
98.98448	3.0
104.10718	2.4
105.07031	0.2
107.08599	0.3
111.43336	0.2
119.08538	0.2
124.99983	20.0
143.01065	0.3
166.02617	0.3
177.49057	0.2
184.07315	100.0
185.07675	0.5
204.80841	0.2
441.64337	0.2
474.11795	0.2
496.33749	0.3
706.46515	6.0
707.47223	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.05485	0.9
56.05041	0.4
57.07067	8.1
58.06588	2.0
65.03928	4.9
67.05478	0.4
69.03394	0.5
69.07030	0.5
70.06577	23.1
70.09138	0.7
70.09560	1.3
71.08615	3.4
72.08118	1.0
74.06022	0.4
79.01853	0.5
79.05457	0.8
81.03388	0.6
81.07027	0.6
83.08573	0.3
84.08105	1.2
85.10144	1.2
86.09684	0.7
88.07615	21.2
95.04937	0.5
95.08569	0.7
97.02867	0.5
102.09158	15.6
103.01812	0.5
105.03373	0.4
105.06997	0.4
107.08586	0.5
114.09116	0.4
121.02821	2.2
132.10156	1.6
135.11629	0.4
139.03865	3.5
146.11766	1.7
147.04427	1.0
149.02318	66.6
149.03398	5.0
150.02652	1.2
152.06242	0.5
153.06911	0.3
157.28604	0.4
175.03847	1.8
177.05400	0.6
193.04933	35.1
194.05290	0.8
210.22061	0.4
212.23730	0.9
219.06554	1.4
225.05469	0.9
237.07518	4.1
238.25243	0.4
256.26312	55.5
257.26761	1.9
263.09174	1.3
297.04007	1.0
300.28906	8.1
313.07047	1.3
341.06433	5.4
359.07489	3.4
385.09122	9.8
386.09042	0.5
403.10184	12.3
403.15540	0.6
429.11716	21.5
430.12411	0.9
473.14359	14.7
474.14993	0.8
629.54742	0.5
640.34479	1.3
646.99402	0.5
684.37756	1.3
702.38300	100.0
703.38635	7.6
703.57001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65393	1.5
55.01865	3.6
55.05495	2.9
57.03426	8.2
58.43179	1.5
61.02903	1.8
64.32864	1.4
67.05487	6.5
69.03410	4.1
69.07057	4.1
71.04982	25.6
71.75369	2.3
79.05474	6.1
81.03406	7.2
81.07042	5.8
82.07403	1.8
83.04956	3.3
83.08620	2.3
85.02895	28.6
91.05476	5.1
93.07021	4.5
95.04972	3.7
95.08604	3.6
95.60038	1.7
96.36246	1.6
97.02879	2.9
97.06515	10.3
97.10109	1.5
105.07007	4.0
107.08606	2.5
109.10137	2.9
109.65582	1.7
119.08556	3.8
121.10100	1.6
127.03874	2.5
129.05472	4.5
135.04405	2.7
135.08006	2.4
137.02286	3.1
141.01895	2.4
165.01839	10.4
172.68085	1.8
173.11604	1.7
173.43872	1.7
174.53699	1.5
183.02867	6.5
193.12395	2.2
197.00862	2.5
211.77303	1.5
223.13196	2.3
231.10027	2.0
233.07985	2.8
251.05457	2.2
253.04919	1.8
257.04437	4.7
258.05267	1.8
267.06448	1.9
269.04462	17.5
270.05112	3.9
281.04440	3.9
281.07629	1.7
282.05350	1.9
283.02795	2.3
283.06006	6.3
283.15164	2.2
284.06769	2.1
285.03912	6.4
286.04736	6.5
293.04434	1.9
295.05933	5.8
296.06558	1.9
297.03864	3.4
298.04703	20.8
299.05475	16.9
309.03998	4.7
309.07562	16.2
310.04593	5.3
310.08267	5.3
311.05518	2.9
312.02759	2.7
312.06378	2.7
313.03430	2.0
313.06912	2.7
314.04126	9.1
315.04825	3.2
319.06021	3.2
324.06210	4.3
328.05740	5.3
329.06561	2.9
337.06964	5.2
338.07849	13.9
339.08618	2.5
340.05524	2.0
342.40976	2.1
348.06525	1.8
365.06546	5.9
366.07248	5.8
376.05582	2.2
383.11343	14.8
393.13138	3.2
394.06808	6.8
395.11206	98.3
396.11646	4.8
407.11093	12.2
409.08496	3.3
409.12952	4.8
411.10706	71.0
412.10995	3.7
419.11099	8.8
421.13147	12.7
423.10422	11.3
425.12289	34.6
435.14880	42.7
437.12216	3.1
441.11710	2.5
445.12723	4.2
449.08231	5.3
449.13269	3.0
463.13837	43.8
463.28223	2.0
465.11664	4.6
467.09219	2.4
473.12128	4.7
481.14981	2.7
491.13312	100.0
492.13409	4.4
500.43893	1.9
505.14941	13.1
509.14395	87.2
510.14420	5.7
523.15973	33.5
524.16125	2.5
527.15393	55.5
528.15796	4.0
541.16968	12.2
559.18225	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01861	0.6
55.05487	0.8
57.03418	1.4
59.04981	0.5
61.02916	3.8
67.05493	2.7
69.03413	2.8
69.07056	0.5
70.06567	0.5
71.04972	1.2
71.74474	0.5
73.02906	2.8
78.37096	0.3
79.05484	2.2
81.03401	7.6
81.07043	2.4
83.04955	0.7
83.08595	0.4
85.02888	4.4
85.63485	0.3
87.04469	0.4
91.03942	2.4
91.05461	5.3
93.07027	2.7
94.51639	0.3
95.04935	1.7
95.06275	0.3
95.08580	1.2
97.02873	3.5
97.06544	1.3
99.04432	0.6
99.92305	0.3
101.02371	1.6
103.03934	0.8
103.05414	0.3
105.07012	2.1
107.04968	0.5
107.08592	0.3
109.02863	0.7
109.06532	0.4
109.10128	1.5
110.56953	0.2
111.08054	0.6
117.07008	0.4
119.08554	4.6
121.06490	1.1
121.10157	0.9
125.09587	0.3
127.03891	1.5
129.05504	0.4
129.07027	0.6
131.08559	0.8
133.10106	0.7
135.08020	0.6
137.05963	0.4
137.09579	2.0
145.10127	0.3
147.08051	1.6
147.11679	0.7
149.09653	0.3
153.09047	0.3
157.10136	0.6
163.03864	0.4
165.09111	2.3
168.98409	0.3
175.11166	0.6
185.04204	0.5
193.12335	0.6
211.13284	0.5
223.09314	0.3
231.78641	0.2
232.01961	0.3
239.12784	1.2
243.08408	2.5
251.12526	0.6
255.11966	1.8
279.12161	0.3
283.06226	0.3
283.15274	1.1
311.14703	0.5
320.76813	0.3
365.80508	0.3
411.73413	0.3
441.17249	3.7
469.20361	4.3
473.19916	8.9
496.38995	0.3
501.22964	1.6
520.50549	0.3
539.28033	0.7
643.90314	0.3
701.33429	100.0
702.33972	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.4
55.05501	0.4
55.09765	0.3
58.86489	0.3
61.02913	0.3
63.17030	0.3
66.18576	0.3
67.05491	1.3
68.41206	0.3
69.03425	0.5
69.07052	0.3
70.15992	1.1
71.79866	0.3
79.05479	1.0
81.03387	0.8
81.07039	1.3
83.04974	0.3
84.06955	0.3
85.02897	0.6
85.96626	0.3
87.33015	0.3
91.05481	1.0
93.07034	1.0
95.04993	0.3
95.08583	1.0
97.06512	0.4
105.06998	0.9
107.08583	0.7
109.02795	0.3
117.06992	0.4
119.08543	0.6
121.10092	0.4
122.18993	0.3
129.07014	0.3
131.08571	0.6
133.03564	0.5
133.10091	0.5
135.11688	0.4
135.61079	0.3
156.10834	0.3
159.11667	0.3
161.94585	0.3
173.02913	0.4
185.04228	0.6
203.05255	1.5
259.07993	1.2
321.22827	0.9
330.43295	0.3
339.23947	0.3
347.09586	0.9
355.73489	0.3
365.10413	2.9
421.13220	1.2
539.31732	16.4
540.32318	0.5
611.58380	0.3
637.25421	0.3
669.28027	0.4
701.37067	100.0
702.37830	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01879	1.0
55.05503	13.5
55.47831	0.9
57.03430	5.1
57.07072	8.1
57.60744	0.9
61.02919	24.4
65.03928	1.8
66.35593	0.9
67.05495	58.2
68.05827	1.3
69.03408	3.6
69.07058	19.0
71.04991	2.6
71.08634	4.2
71.75219	1.6
73.02905	8.7
75.04475	1.0
79.05483	15.5
81.03397	2.4
81.07044	74.5
82.07386	1.8
83.04986	2.1
83.08604	16.3
85.02892	30.2
85.06528	2.2
85.10163	1.8
87.04482	0.9
91.03360	1.3
91.03944	25.4
91.05460	12.1
93.07027	23.5
95.08595	60.2
97.02882	13.2
97.06522	6.4
97.10162	8.6
99.04392	1.8
99.08073	3.3
105.07000	9.7
107.08585	18.3
109.06503	1.1
109.10147	33.5
111.08070	3.5
111.11687	3.2
113.09629	1.2
115.03904	1.8
117.06987	1.3
119.08587	11.4
121.10131	18.1
122.10485	1.2
123.08032	1.3
123.11696	17.4
125.09615	2.1
125.13255	1.5
127.03895	12.1
127.11194	1.7
131.08565	1.8
133.10115	14.6
134.10471	0.8
135.11664	11.0
136.12003	1.1
137.13243	5.2
139.11090	1.4
141.12732	3.6
143.08533	0.9
145.04961	12.0
147.11670	8.5
149.13248	8.6
151.11168	1.3
151.14822	7.2
155.14302	3.2
161.13245	14.3
162.13670	1.2
163.06004	19.6
163.14815	9.0
165.12738	2.0
165.16350	9.2
167.14290	1.9
175.14818	8.7
177.16376	1.9
179.14401	1.1
179.17920	7.6
181.15880	1.4
189.16382	4.2
193.15825	1.3
203.17902	2.0
217.19473	1.7
219.94627	0.9
219.97012	0.9
245.22614	70.6
246.22943	2.2
247.24210	0.9
263.23663	100.0
264.24115	5.3
265.25201	2.5
281.24670	2.7
337.27341	43.5
337.31464	2.1
338.27646	2.5
355.28378	8.5
457.70712	1.1
499.32251	1.3
534.12427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.3
60.17049	0.2
67.05492	0.7
69.03414	0.2
79.05485	0.4
81.03399	0.2
81.07040	0.6
91.05464	0.3
93.07050	0.6
95.04946	0.3
95.08616	0.6
105.07040	0.3
107.08577	0.3
109.10127	0.5
119.08586	0.5
133.03494	0.2
134.06010	0.2
145.71469	0.2
147.34877	0.2
161.02957	0.2
173.02966	0.3
185.04257	0.6
191.71616	0.2
259.07935	0.5
273.34879	0.2
289.13245	0.2
301.20090	1.3
319.21307	0.3
347.09479	1.2
375.24973	0.2
421.12805	0.3
537.30286	18.5
538.30573	0.7
539.82153	0.2
573.21069	0.3
617.20105	1.2
649.22449	0.5
667.23853	0.9
699.35559	100.0
700.35852	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01863	1.6
55.05503	15.8
55.55838	0.6
57.03195	0.6
57.03433	6.5
57.07067	8.0
60.62423	0.7
61.02917	22.6
65.03913	1.9
67.05495	62.4
68.05822	1.3
69.03407	2.6
69.07059	23.1
70.06071	2.8
70.06488	1.3
71.04969	2.3
71.08630	4.8
73.02911	8.8
75.04485	0.9
79.05484	18.6
80.05813	0.7
81.03391	2.6
81.07043	78.7
82.07372	1.3
83.04949	2.5
83.08609	19.0
85.02894	26.5
85.06526	2.7
85.10155	2.4
91.03942	22.2
91.05464	14.8
93.07031	21.4
94.07415	0.6
95.04957	1.6
95.08595	66.5
96.08875	0.7
97.02868	12.5
97.06521	6.4
97.10154	13.4
98.20776	0.8
99.04440	1.8
99.08079	4.3
101.02344	1.1
103.03899	1.1
105.07015	10.3
107.07895	1.3
107.08574	15.0
109.02843	1.8
109.06495	1.7
109.10146	38.8
110.10476	1.6
111.08042	2.6
111.11714	3.0
113.09647	2.2
115.03901	2.0
117.07095	0.7
119.08563	12.6
121.10129	21.7
123.08076	1.3
123.11691	19.0
125.09588	1.8
125.13244	1.5
127.03896	9.4
127.11179	1.4
131.08536	1.3
133.10110	14.2
135.11674	12.7
137.09573	1.5
137.13232	8.8
139.11124	1.6
141.12737	3.9
145.04935	11.6
145.10097	0.9
147.11682	10.5
149.13248	10.1
151.11142	1.7
151.14812	6.3
153.12747	0.8
155.14287	3.9
159.11716	0.8
161.13240	12.5
163.06000	18.8
163.14815	9.6
165.12709	1.3
165.16373	9.5
167.14235	1.4
175.14790	8.2
177.16351	2.7
179.14293	1.8
179.17914	8.2
181.15866	1.4
189.16353	4.6
191.17967	0.7
193.15878	1.6
203.17931	1.6
211.36765	0.6
217.19463	1.5
221.22701	0.8
245.22618	63.0
246.23021	1.5
263.23666	100.0
264.24081	2.6
265.25253	2.1
281.24606	1.6
282.61487	0.7
337.27316	68.6
338.27682	2.0
355.28406	12.6
355.32520	0.5
371.25952	0.8
462.32941	1.8
481.31607	0.9
499.32645	3.8
591.20013	0.7
638.15997	0.9
675.63483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13725	4.4
53.03930	11.7
55.01860	11.8
55.05500	33.6
57.03439	29.2
57.07072	5.4
59.04306	4.0
61.02708	3.8
61.02923	40.2
65.03941	5.5
67.05495	77.9
69.03407	32.2
69.07059	30.9
69.57723	20.9
69.58150	16.6
69.62865	3.8
70.06575	4.6
71.04974	10.4
73.02899	17.2
75.04466	14.0
79.05486	72.3
80.05807	5.9
81.03403	50.1
81.07046	100.0
81.58982	4.7
83.04958	15.0
83.08607	11.4
85.02897	64.2
85.06515	6.8
91.03941	46.0
91.05471	69.3
92.05810	4.9
93.05508	54.1
93.07031	81.8
94.07376	7.4
95.04948	21.5
95.08597	68.2
97.02888	36.9
97.06509	25.0
97.10165	11.0
99.04437	10.0
103.03927	5.6
105.07024	62.7
106.07366	6.5
107.04931	9.9
107.08575	49.0
109.02876	7.9
109.06510	11.5
109.10145	30.3
111.04432	12.6
117.05480	4.3
117.06999	24.3
119.08572	49.4
121.06474	11.2
121.10136	36.0
123.08047	12.4
123.11710	10.0
125.01652	4.2
127.03885	26.8
129.05478	7.8
129.07008	18.8
131.08534	49.1
133.06511	8.5
133.10112	40.1
135.08012	9.1
135.11656	26.0
137.09583	10.0
141.06989	7.2
143.08496	21.8
145.04956	28.7
145.06491	5.1
145.10106	34.2
147.08049	8.4
147.11693	23.2
149.09557	7.8
149.13251	14.2
151.07516	6.9
151.11124	5.0
155.08549	4.1
157.06461	5.4
157.10130	15.6
159.11662	23.3
161.09625	7.5
161.13260	10.3
163.06018	56.2
165.09097	9.7
166.09479	5.7
169.10092	9.2
171.11745	13.9
173.11856	4.4
173.13272	18.9
175.14799	7.1
177.12735	5.7
181.10060	5.8
183.11649	11.2
183.30054	4.1
185.13263	13.1
187.11256	4.6
187.14792	14.5
197.13264	7.8
199.11182	7.2
203.14404	5.4
205.12123	4.6
225.12677	5.6
240.13312	4.1
241.19540	6.1
259.20490	8.0
261.22086	15.7
267.20969	4.2
271.20456	6.4
275.19968	13.1
277.21658	13.2
289.21469	9.2
291.23203	12.4
295.15842	5.1
301.21588	6.0
303.23181	18.4
313.21762	5.3
315.23239	5.4
323.23511	5.9
327.23218	7.7
335.43329	4.3
341.24704	9.3
345.24338	5.7
350.23480	5.5
351.23053	14.1
359.25809	6.0
369.24158	51.7
387.25284	33.5
405.26352	61.2
423.27313	17.0
514.32416	10.2
532.33282	5.5
567.31769	5.3
638.05719	4.4
638.17511	5.0
676.37506	6.5
694.35266	13.5
695.34949	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.1
53.03928	2.6
55.01855	2.9
55.05503	6.0
57.03424	12.5
61.02921	1.0
65.03926	1.2
67.05498	15.8
69.03419	2.7
69.07060	7.1
69.68390	0.6
69.68511	1.5
69.68903	5.7
71.04976	2.4
79.05486	14.4
81.03410	100.0
81.07043	15.6
82.03748	1.7
83.04974	7.5
83.08614	8.9
85.02898	11.2
91.05470	34.5
93.07032	15.9
95.04956	15.6
95.08602	10.0
97.02876	3.2
97.06516	3.8
97.10163	2.4
105.07028	11.2
107.04925	5.2
107.08583	3.8
109.06496	3.3
109.10143	6.6
111.04390	0.9
111.08073	4.2
115.05462	1.6
117.07005	3.9
119.08569	34.2
121.06514	6.1
121.10152	4.4
123.04445	1.5
123.08018	2.6
123.11732	0.9
125.09595	2.4
129.07008	7.5
131.08546	4.8
133.06494	2.3
133.10106	4.0
135.08047	1.8
137.09598	20.6
141.06937	1.1
142.07832	1.0
143.08568	1.0
145.06451	3.0
145.10072	1.8
147.08041	8.6
147.11700	5.1
149.09595	3.2
157.06438	0.9
157.10117	6.5
159.08122	1.1
163.07581	1.0
163.11205	1.0
165.09116	17.1
165.12804	1.6
169.10168	0.9
171.08022	1.0
175.11159	6.2
177.09079	1.0
183.10196	2.0
185.09624	1.4
187.11136	1.7
189.09193	0.8
189.11212	1.3
193.12242	14.7
199.11201	1.0
205.12064	1.0
211.13295	9.8
227.10680	4.9
239.12762	57.4
240.13078	1.5
240.16992	0.9
245.11772	1.3
249.14886	1.0
257.13800	7.0
267.15881	39.6
268.16199	1.6
273.14841	1.7
285.17001	11.1
293.19031	0.9
311.19971	1.7
313.17978	2.6
321.18756	2.1
329.20959	1.3
339.19531	11.4
357.20572	12.4
375.21585	1.4
387.21478	1.6
393.22855	1.0
405.17273	1.2
405.22647	16.1
413.23209	6.7
431.24255	62.8
432.24606	4.1
449.25323	41.0
450.25385	3.2
640.92267	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.0
55.05507	7.9
57.03421	5.6
57.07054	4.2
57.89133	1.3
61.02651	1.7
61.02921	21.9
65.03899	1.4
67.05497	49.5
69.03388	2.5
69.07066	8.2
70.22034	5.4
70.65017	1.3
71.04946	2.0
73.02903	8.9
76.20349	1.4
79.05480	32.4
81.03405	2.3
81.07047	69.7
83.08592	6.2
85.02894	31.0
85.06527	3.1
91.03941	27.4
91.05469	18.4
93.07030	51.0
95.04935	2.3
95.08596	50.6
97.02880	14.8
97.06525	3.6
97.10158	2.7
98.20753	1.8
99.08070	2.1
101.29038	1.6
105.07021	14.3
107.08578	30.0
109.02840	1.7
109.10140	30.1
111.08030	2.1
111.11678	1.8
115.03899	1.7
117.07004	7.0
119.08567	11.5
121.10130	32.1
123.11691	15.6
125.09567	2.3
127.03889	9.2
131.08549	16.9
133.10112	13.3
135.11678	25.1
137.09682	1.8
137.13220	6.9
141.07104	1.6
145.04933	11.5
145.10092	15.2
147.11687	13.4
149.13213	21.6
151.11163	1.8
151.14749	2.0
153.12740	2.0
159.11668	13.0
161.13245	10.0
163.06000	20.8
163.14810	17.1
165.12770	1.8
173.13243	15.5
175.14758	4.5
177.16367	4.6
179.14256	3.5
187.14792	8.8
191.14211	2.4
201.16246	2.2
205.15897	2.8
213.14702	1.6
219.17369	2.6
228.48251	1.4
233.22617	3.6
243.21057	39.6
244.21292	1.6
261.22107	100.0
262.22403	2.7
263.23682	2.1
279.23203	2.0
286.13132	1.5
335.25769	18.6
353.26813	44.3
354.27075	2.3
375.24875	1.6
549.12201	1.6
616.04950	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38933	0.8
53.03925	3.1
55.01863	5.7
55.05497	7.7
57.03426	13.0
61.02900	1.8
65.03938	1.3
67.05494	19.7
68.22141	0.9
69.03413	3.4
69.07047	7.1
70.34212	2.1
70.34627	2.3
71.01328	1.6
71.04971	3.7
73.02898	2.0
76.77056	0.9
79.05479	24.7
81.03405	78.6
81.07039	15.4
82.03719	0.8
82.07409	1.0
83.01300	0.9
83.04957	6.3
83.08608	8.4
85.02903	5.7
85.06498	1.3
87.04392	0.9
91.03918	1.0
91.05463	33.5
93.07027	25.9
95.04961	12.1
95.08584	16.5
97.02882	5.5
97.06511	6.0
97.10164	2.0
99.04446	3.7
103.05472	1.8
105.03426	0.9
105.07022	12.3
107.04937	11.6
107.08578	20.5
108.08904	1.0
109.02882	1.3
109.06469	5.0
109.10133	6.1
111.04408	4.7
111.08067	3.8
115.05431	1.6
117.07003	15.8
119.04879	1.4
119.08565	26.6
119.29170	0.8
121.02808	0.9
121.06483	9.5
121.10118	7.2
123.04403	1.6
123.08044	4.1
125.06016	2.7
125.09610	2.1
127.03902	1.2
129.06985	5.2
131.08537	5.2
133.06474	1.8
133.10110	3.0
135.08037	24.1
135.11674	13.1
137.09584	13.7
138.09108	0.9
140.84256	0.9
142.07742	0.9
145.06480	3.0
145.10114	11.4
147.08012	6.6
147.11659	1.3
149.09602	3.5
153.09082	3.6
153.12727	1.2
155.08507	1.1
157.10103	3.2
161.09711	1.0
163.03897	1.5
163.07521	15.8
163.11165	18.6
165.09099	15.6
173.09552	1.9
175.11174	3.3
181.08598	5.2
181.12202	3.2
183.10179	2.4
184.07346	1.7
189.11075	1.3
191.10686	1.7
193.12195	6.9
199.09604	18.2
199.11356	1.0
209.11739	3.3
211.13289	3.6
223.13319	1.8
227.12715	16.9
239.12747	56.1
240.13068	1.7
241.14270	1.9
253.14223	1.8
255.12230	34.5
255.14941	2.0
257.13791	5.3
259.09531	1.1
265.14355	1.5
267.15875	29.3
283.15353	28.7
285.16803	2.4
287.14941	1.9
315.17935	1.8
355.19022	7.7
373.20166	1.4
411.21307	1.7
419.23541	0.9
429.22720	10.1
447.23718	100.0
448.23975	7.0
465.24759	10.7
479.26349	2.9
485.09341	0.9
489.24512	1.4
497.27573	7.8
532.28229	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01867	8.3
55.05501	8.9
57.03151	1.0
57.03428	13.1
61.02918	1.6
63.88857	0.6
67.05136	0.9
67.05496	18.1
68.05826	1.0
69.03416	3.4
69.07056	6.9
71.04984	1.8
71.54592	0.9
79.05479	26.0
81.03406	74.8
81.07043	15.4
82.07384	0.7
83.01340	6.0
83.04972	6.9
83.08614	9.5
85.02896	4.9
85.06517	1.3
87.04473	0.7
87.95599	0.7
91.05466	33.5
92.05789	1.6
93.07037	19.8
94.04206	0.8
94.07390	0.8
94.56765	0.7
95.01318	0.7
95.04960	13.3
95.08606	7.7
96.08918	1.0
97.02871	3.8
97.06525	5.9
97.10153	3.9
99.04428	1.3
105.07022	9.6
107.04941	7.6
107.08579	14.6
107.57973	0.8
108.08890	1.0
109.02853	2.0
109.06508	5.0
109.10142	5.0
111.04448	2.6
111.08067	2.7
114.24611	0.7
115.05457	2.3
117.07005	18.3
119.04952	1.5
119.08568	17.5
120.08927	1.0
121.06498	6.3
121.10124	5.3
123.04427	1.5
123.08023	3.7
125.02314	1.3
125.06059	0.9
125.09602	4.5
128.06161	0.9
129.05511	0.7
129.06992	6.1
131.08563	5.3
133.06473	2.3
133.10074	4.0
134.10390	0.9
135.08029	24.5
135.11617	3.6
137.05942	1.2
137.09622	9.4
142.07761	1.0
143.07014	2.2
143.08533	1.2
145.06480	2.1
145.10098	5.7
147.08029	4.5
147.11702	3.7
149.09598	2.4
153.09111	2.4
153.12714	1.1
154.48633	0.7
155.08563	1.1
157.10068	4.4
159.08054	1.4
159.11681	1.0
161.05998	1.7
161.09633	1.3
163.07533	6.8
163.11180	8.0
165.09099	9.8
169.10095	0.9
171.11670	1.1
173.09618	2.1
175.11180	2.9
177.09076	1.1
181.08626	1.6
181.10037	1.0
181.12286	1.0
183.08043	1.2
183.10143	0.8
185.09746	0.8
189.11194	1.7
189.12830	0.8
191.10677	1.9
193.12234	5.6
197.09593	1.0
199.09674	1.9
201.09169	0.8
203.10632	1.9
205.12080	1.0
209.11668	1.0
211.07578	1.2
211.11324	1.0
211.13258	1.9
215.10757	1.4
225.08998	1.0
227.12660	1.4
229.15823	0.7
231.13731	0.8
239.10333	1.0
239.12756	20.9
243.10019	1.6
243.13860	1.5
247.16806	1.0
255.12215	13.8
257.13934	0.9
261.11206	1.3
265.14291	0.7
267.15900	15.0
268.16245	1.2
273.14886	1.1
275.20038	1.3
276.20288	1.3
283.15375	13.8
289.14319	2.5
309.18378	1.4
327.19473	3.5
337.17868	4.2
355.18994	21.0
356.19321	1.2
365.21396	0.9
373.20111	5.8
391.21118	1.6
403.21100	1.7
411.21603	2.2
429.22681	32.1
447.23721	100.0
448.24075	4.6
465.24719	7.7
489.24673	1.3
513.32257	1.0
514.32190	0.9
532.32831	1.1
694.23724	2.2
694.37842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05053	1.5
53.03931	2.9
55.01872	4.1
55.05501	5.8
57.03421	7.0
67.05502	21.9
69.03432	3.0
69.07063	8.6
70.06583	2.0
71.04961	2.8
71.07481	3.7
77.77460	1.5
79.05489	25.7
81.02934	3.4
81.03411	70.4
81.07040	13.5
83.04977	7.3
83.08609	3.3
85.02896	5.4
91.05479	28.0
93.07039	27.9
95.04954	12.7
95.08592	12.4
97.02876	2.7
97.06515	16.0
98.06833	2.3
99.04491	1.6
105.07014	19.8
107.04929	3.2
107.08578	8.7
109.06512	3.4
109.10126	5.0
111.08115	2.0
117.07003	5.7
119.08568	22.1
119.75670	1.7
121.06487	5.1
121.10141	3.9
121.58406	1.4
123.08012	3.6
129.06987	9.3
131.08594	3.9
133.06497	2.5
133.10132	5.0
133.58495	1.6
135.08029	2.1
135.75101	1.7
137.09593	12.0
145.10120	4.9
147.08020	5.4
147.11705	13.2
149.09544	2.4
159.08022	1.9
161.02397	3.0
161.05864	1.6
161.13268	4.7
163.03914	8.2
163.11201	2.1
165.09094	10.9
171.11681	6.4
173.02364	3.5
189.08978	2.0
189.12675	3.6
207.13779	6.0
215.06998	8.5
216.07344	3.3
239.10353	2.8
239.12726	38.9
259.09637	12.5
260.10004	9.0
281.17517	18.3
415.13797	2.8
416.14047	4.4
444.33109	2.3
445.25824	100.0
446.25928	4.7
456.83539	1.7
475.18384	1.7
485.14490	2.0
495.29123	1.8
514.18103	2.3
601.21698	3.4
602.22559	4.0
692.26257	41.8
692.36389	2.1
693.26563	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34125	0.5
55.01855	0.8
67.05493	1.2
70.06567	2.5
70.82343	0.5
71.04984	0.8
71.47616	1.2
72.08130	0.9
73.02863	0.6
79.05458	1.0
80.05000	0.9
81.07030	0.9
82.06538	1.1
84.08120	1.6
85.02886	1.1
86.09696	1.4
86.89157	0.6
91.05463	1.0
93.07019	0.9
94.06560	1.8
95.04954	1.3
96.08113	0.8
97.06532	2.7
108.04460	1.5
108.08099	2.6
108.67445	0.5
110.05991	1.8
110.09668	2.6
116.04964	0.8
118.05130	0.5
120.08075	2.6
122.06012	3.8
124.07597	3.3
136.03951	0.9
136.07553	5.2
137.07014	1.4
137.09608	0.6
138.05467	0.8
138.09128	3.1
144.04428	3.6
146.06023	1.4
147.92636	0.6
148.07597	0.9
150.05519	1.7
152.07016	2.6
158.05919	0.6
160.03893	0.8
160.07567	1.8
162.05467	1.7
164.07028	1.6
166.08585	3.2
172.03914	16.9
172.07439	0.6
173.10719	0.7
174.09166	1.0
174.11382	0.5
175.08682	1.2
175.12273	1.0
176.07039	0.8
178.04945	0.7
186.09140	4.8
187.08658	1.8
188.09412	2.1
190.04926	2.8
196.07663	0.8
197.06941	0.6
198.07724	1.0
198.09357	0.7
199.08659	0.9
200.09375	1.9
200.10931	1.3
201.10051	0.9
202.10980	2.9
203.11790	7.3
204.04593	1.3
204.06535	26.6
211.07076	6.5
211.08757	0.9
213.10156	4.2
214.08640	10.1
214.10640	1.4
215.08246	4.6
215.11743	0.7
217.09650	1.3
225.10234	1.1
227.11783	2.6
228.10275	3.8
229.09668	3.1
230.10469	1.2
231.11281	16.6
232.09612	0.7
233.12804	0.8
237.10358	0.7
241.09674	2.9
241.13307	1.0
242.08127	1.8
243.11359	1.0
245.09024	0.9
245.12776	2.8
247.10684	1.2
253.09659	0.8
255.11252	7.2
256.09708	3.2
257.09277	1.4
257.12869	1.9
259.10754	77.4
260.11057	1.5
265.09671	0.9
267.11353	0.9
269.12836	2.2
271.10950	0.9
273.12317	11.8
281.09113	0.7
283.10782	5.1
285.12292	0.8
287.10721	0.6
287.13864	2.9
295.10571	0.7
297.12308	1.0
299.10431	0.8
301.11792	57.7
302.12039	1.2
311.10211	1.3
313.11813	1.8
315.13336	1.4
319.12851	100.0
320.13205	1.9
325.11853	4.5
329.11316	1.0
335.12445	1.1
337.13882	20.9
338.14038	0.7
341.11157	1.1
343.12772	1.6
357.14505	3.3
358.15082	0.7
371.12283	0.8
372.12982	0.8
373.14151	1.0
389.13297	1.8
448.18646	0.9
450.20499	0.6
476.18164	1.7
508.20923	1.3
511.15933	0.8
547.18152	1.0
549.30945	0.8
573.22577	0.8
599.24579	0.8
601.22552	1.0
605.26178	1.4
615.23895	1.3
625.22998	1.3
633.25671	0.6
643.23798	3.3
647.27032	3.1
657.25244	1.9
661.24689	0.7
675.26532	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01870	3.2
55.05503	13.6
57.03182	1.5
57.03430	14.4
59.04998	0.8
61.02920	2.2
65.03931	1.4
67.05494	23.2
69.03441	4.6
69.07066	8.6
69.77744	6.4
71.04981	9.7
73.02917	1.7
79.05482	29.4
81.03407	77.9
81.07043	28.1
82.03778	1.0
83.04974	18.6
83.08607	31.7
85.02896	34.9
86.03220	1.1
87.04471	0.9
91.03943	1.8
91.05466	35.6
93.07030	19.0
93.32384	0.8
95.04955	30.6
95.08598	10.7
97.02882	5.2
97.06524	7.0
97.10151	4.6
99.08089	1.7
103.11242	0.8
105.07014	28.2
107.04940	9.5
107.08586	9.5
109.06477	5.7
109.10106	4.0
111.04433	2.3
111.08067	11.3
113.05999	2.2
115.05444	1.7
117.07002	1.7
118.23466	0.9
119.04949	1.3
119.08563	19.4
121.06485	2.3
121.10125	11.3
123.08051	3.3
123.11678	2.3
125.09631	1.5
127.03880	1.5
129.05493	1.2
129.06989	14.0
131.08546	14.7
133.06490	5.0
133.10115	14.9
135.08049	1.1
137.09618	2.0
142.07751	2.8
143.08539	0.9
145.10103	2.8
147.08070	4.5
147.11664	20.3
149.09618	7.5
151.07497	1.4
151.11163	1.2
157.10107	17.0
163.11206	1.5
165.12730	3.8
175.11165	20.3
175.12640	1.3
193.12219	61.9
194.12534	1.4
211.13266	100.0
212.13658	2.9
249.14835	1.7
259.09811	0.8
267.15894	41.7
267.18796	2.1
268.16284	1.1
285.16922	95.6
286.17245	2.2
299.05444	1.2
300.05841	0.9
340.08221	1.0
355.17853	1.2
367.22595	2.9
384.11948	1.1
385.23718	4.5
395.11310	3.6
396.11505	6.2
408.11487	1.1
409.12750	1.3
410.13312	1.3
414.12537	1.3
421.12952	1.1
422.12912	1.6
425.12411	1.3
426.12448	2.9
436.14932	1.5
441.26117	1.5
459.27368	20.5
460.26944	1.0
464.14276	3.0
477.28394	27.5
491.13034	1.4
492.13846	5.2
493.13400	1.0
495.29510	74.6
496.29721	2.8
509.14066	2.4
510.14801	10.0
511.15472	2.1
527.15424	2.7
528.15735	9.5
545.16254	1.3
546.16998	4.2
547.17853	1.5
693.23987	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01856	0.7
55.05495	1.3
57.03399	1.7
57.11774	0.4
61.02899	1.8
65.03940	0.6
67.05164	0.5
67.05476	2.5
69.03413	1.8
69.07071	0.5
69.54942	2.1
69.55371	1.9
70.06567	0.8
71.04980	10.2
73.02921	0.7
75.04448	0.9
79.05471	2.3
81.03387	1.3
81.07035	2.3
83.04971	0.5
85.02889	11.2
85.51202	0.5
91.03947	1.0
91.05484	2.3
91.70119	0.5
93.07023	1.8
94.06555	3.0
95.04951	1.4
95.08565	0.8
96.04468	0.5
96.08107	1.2
97.02866	1.6
97.06512	1.7
99.04432	0.6
105.07003	1.5
106.06529	1.1
107.08563	0.6
108.08100	6.3
109.02823	0.6
109.10114	0.8
116.04952	1.3
119.08529	1.5
120.08118	1.1
121.06410	0.5
122.06002	9.6
124.06749	0.8
124.07576	9.3
127.03853	1.1
129.05444	2.0
131.08606	0.5
133.10098	0.7
134.05983	4.4
135.06746	1.3
136.07550	28.9
137.08333	4.4
138.05473	2.0
138.09120	2.4
140.07071	1.1
143.08495	0.5
144.04404	2.3
145.10136	0.6
146.05977	0.9
147.11676	0.5
150.05464	5.4
150.09094	1.9
152.07027	1.8
153.01788	1.1
162.05476	17.4
162.06859	0.8
163.03914	0.7
164.07028	4.9
165.01810	2.1
166.08615	0.6
167.03355	3.9
171.04408	0.7
172.03920	13.0
177.01782	1.1
178.08612	2.1
179.03397	1.2
180.06564	0.5
180.10167	1.4
183.02916	1.6
184.09625	4.0
185.05786	0.5
187.07484	3.6
189.05420	1.4
190.04959	3.7
191.03366	1.5
195.02841	1.9
196.09663	100.0
197.10022	1.9
204.06529	25.2
205.04871	0.9
207.02753	0.6
225.10233	0.7
233.04237	0.5
236.09351	1.1
237.10237	0.4
251.08148	0.5
251.11676	0.7
253.09717	1.0
257.12820	1.7
257.19070	0.6
261.03772	0.8
267.11331	0.5
269.09314	0.6
269.12891	0.5
273.12485	0.5
275.19958	3.6
279.11243	1.5
281.08994	0.8
285.12384	0.9
287.13962	0.9
293.20779	0.7
295.10632	0.9
296.06665	1.0
297.12302	11.0
299.10513	0.5
299.13843	1.1
310.58475	0.5
311.05432	0.8
311.13901	1.0
313.11520	0.6
315.13425	1.4
323.05759	0.9
323.10196	5.4
329.14865	3.8
335.09348	0.8
337.07004	0.9
339.09082	0.9
339.13345	5.2
341.11145	0.8
343.12830	0.8
349.06973	1.1
349.23770	1.2
351.08450	1.3
353.06302	1.3
355.12805	4.3
357.14371	1.5
363.08566	1.7
365.10257	0.9
367.24756	0.8
371.15979	2.7
375.08521	0.5
377.10175	0.7
381.09683	1.1
383.10965	2.6
387.15280	0.6
391.11505	0.7
393.13245	1.1
395.11194	18.1
396.11584	1.6
399.15576	0.6
407.11304	2.9
409.13034	2.6
413.12296	2.4
419.11404	2.2
421.13129	2.8
424.11395	0.7
425.12189	8.6
426.12689	0.6
427.13828	0.5
435.14832	4.6
437.12198	0.9
443.13721	0.6
445.13010	0.9
446.17130	3.5
447.10071	1.0
449.12192	3.7
458.17215	0.6
463.13773	5.6
464.18375	5.0
465.11816	1.2
473.12216	0.9
475.13391	0.9
476.18137	4.3
478.19489	2.1
479.13422	0.9
480.21457	1.1
481.14645	1.4
483.12793	1.1
490.19678	1.1
491.06592	0.8
491.13333	12.1
492.13431	0.9
493.14612	0.6
496.20514	1.2
508.20709	0.6
509.14371	25.1
510.14426	1.8
522.22150	3.5
527.15417	21.4
528.15741	2.2
545.16406	8.1
546.16364	0.7
554.24896	0.6
641.25153	0.9
659.26892	7.9
691.29059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01856	1.2
55.05496	0.7
57.03429	0.9
61.02913	0.3
67.05494	2.2
69.03423	0.6
69.07060	1.4
70.06584	0.4
70.55462	0.8
70.55813	0.4
73.02915	0.4
73.99856	0.3
79.05483	2.4
81.03396	2.1
81.07044	2.6
83.04978	1.0
83.08591	0.4
85.02893	0.6
91.05475	2.6
93.07047	1.6
95.04961	1.5
95.08586	1.2
97.02889	1.0
97.06522	5.3
99.86788	0.3
105.07030	1.3
107.04945	0.7
107.08584	0.7
109.02840	0.4
109.06541	0.5
109.10155	0.4
111.04430	0.5
117.03348	0.3
117.07037	0.8
119.08593	1.2
121.10155	0.6
127.03902	0.6
128.06157	0.4
129.06978	0.6
130.25864	0.3
131.08583	1.1
133.06563	0.3
133.10118	1.0
135.04449	0.7
135.08049	0.7
135.11691	0.5
137.09634	0.6
141.07008	0.7
143.08534	0.7
145.06425	0.3
145.10106	0.6
147.04474	0.3
147.08102	0.5
147.11644	0.6
149.02362	0.5
149.09610	0.7
153.06992	0.3
157.10115	0.7
159.04382	0.3
159.08055	0.3
161.02385	0.7
161.05991	0.7
163.03893	3.3
163.07520	0.4
163.11182	0.5
169.06497	0.8
169.10132	0.4
171.11723	0.4
173.02351	2.0
174.77838	0.3
185.09630	0.5
187.07550	0.5
189.05440	0.3
189.09126	0.7
193.12238	0.4
195.07942	0.4
197.05962	0.4
200.04663	0.7
213.09186	0.4
215.07004	4.4
215.08728	0.4
241.08717	0.9
245.15332	0.4
259.09622	8.2
259.12167	0.6
260.09985	0.5
293.21359	0.5
399.14670	0.5
400.15405	1.7
401.15994	0.6
414.17221	0.8
415.13806	3.2
415.18497	0.4
416.14868	1.0
421.18481	0.4
427.18365	0.6
428.14725	1.2
428.19513	0.5
429.15060	1.8
430.16394	2.9
430.20526	0.3
431.17114	1.1
442.16299	0.9
443.17096	3.4
444.18237	1.7
445.18536	0.9
454.16580	0.7
455.17325	1.2
456.14090	1.1
457.19244	3.1
458.19711	2.7
459.21387	1.9
467.17429	1.0
468.18567	0.5
469.19009	1.1
470.12296	1.4
471.16299	0.5
471.21207	0.4
473.18539	0.4
477.21313	0.8
482.15298	0.5
483.12955	1.1
483.17432	0.9
484.13199	4.8
485.13330	0.8
485.19437	1.9
486.18655	0.6
487.19897	0.5
495.16733	0.4
496.18048	0.8
497.14828	1.4
497.19504	1.8
498.14810	2.7
499.15970	3.4
501.17838	0.4
508.17557	0.3
510.18924	0.3
511.15689	2.7
511.30847	0.5
512.16852	5.0
513.17523	7.6
514.18384	3.7
515.17877	0.5
523.15900	2.2
524.16278	0.4
525.17267	3.5
526.18237	1.5
527.19629	2.2
528.19861	0.5
529.18671	0.7
529.30945	0.4
530.21027	0.3
539.16144	0.7
541.20734	0.5
544.19043	0.7
545.23621	1.3
546.24127	0.4
555.19226	1.3
557.20538	0.6
569.20313	0.4
571.18689	1.0
573.23724	2.6
585.19855	0.6
589.22693	0.3
599.21460	0.8
600.22156	3.6
601.22882	10.8
602.22754	1.4
614.24237	0.5
615.24188	0.7
617.22290	1.3
631.23846	0.4
632.24689	1.2
633.21533	0.6
659.23602	1.0
660.24567	0.8
661.22052	0.5
673.24719	0.5
676.23560	1.1
691.26013	100.0
692.26202	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18369	1.0
55.05503	2.2
57.07069	5.3
67.05481	4.2
69.07047	1.9
71.08616	3.4
79.05486	3.3
81.03407	1.8
81.07043	3.6
85.10168	2.4
86.09659	1.2
87.04434	1.2
89.06021	9.4
91.05460	3.1
93.07036	2.4
95.04974	1.3
95.08601	2.3
97.10163	0.9
98.20723	2.5
103.67193	0.9
105.07006	2.6
107.08597	1.9
111.51163	0.9
119.08580	2.6
121.10133	1.2
129.06946	1.2
133.08582	5.4
137.97125	1.0
142.07806	0.9
155.08539	0.9
159.11617	1.1
165.68185	1.1
177.11162	2.6
184.07314	2.2
187.14836	1.1
237.63828	1.1
238.15546	1.0
256.62885	1.0
383.11514	1.5
384.11963	4.5
385.12979	5.8
386.14203	1.2
397.12909	1.7
398.13715	7.8
399.14575	13.0
400.15421	21.5
401.15900	2.0
411.14505	2.6
412.15335	8.9
413.16101	16.2
414.16824	11.8
416.14474	1.7
418.17209	1.2
424.15387	2.1
425.16452	1.8
426.16855	4.0
427.12936	2.6
427.18381	12.5
428.18692	14.0
429.14737	1.0
429.19336	11.9
430.16428	1.5
441.14551	6.6
442.16147	13.6
444.13818	1.3
446.17130	2.0
455.17114	33.8
456.17770	15.0
457.14774	1.1
458.15558	3.4
459.16464	5.1
469.14407	2.7
471.16556	1.2
473.18610	1.2
481.14633	1.5
483.16666	26.5
484.16638	3.1
486.18790	1.2
487.15424	2.9
487.20944	1.4
488.17075	1.2
495.16263	1.5
499.15924	7.7
501.17450	1.3
511.19461	3.1
512.12769	1.1
513.13885	1.2
515.18799	1.4
516.20081	2.0
523.16040	3.9
527.15497	26.5
528.15527	7.1
537.17627	1.9
538.18445	1.3
539.19281	11.4
543.22296	18.5
555.18860	1.5
571.21863	100.0
572.22052	6.7
573.19360	1.5
574.24280	7.9
586.20905	1.6
587.21033	1.8
601.22955	7.5
602.23663	41.9
603.23096	1.4
615.20807	4.0
617.26068	2.9
629.12421	1.9
629.22333	36.7
630.22772	26.0
633.25140	1.8
643.23846	1.4
657.21875	55.8
658.21948	3.1
661.24683	3.7
689.24329	15.8
689.40814	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.7
53.03944	11.9
53.19043	1.0
55.01872	6.3
55.05503	28.9
55.36533	1.0
57.03430	11.1
57.07071	3.2
57.42511	1.0
61.02926	3.5
65.03936	5.4
67.05499	72.6
69.03422	32.6
69.07062	23.0
70.03752	1.1
70.11113	6.9
71.01357	2.0
71.04979	10.2
73.02914	3.1
77.03908	2.1
79.05486	58.1
80.05807	1.8
81.03412	100.0
81.07048	69.3
83.04974	23.2
83.08610	21.2
85.02890	16.4
85.06534	4.1
87.04462	2.4
91.05473	54.5
93.07036	64.6
95.04960	30.8
95.07990	2.6
95.08595	42.0
95.09191	2.4
97.02882	24.9
97.06510	9.0
97.10154	7.4
99.04459	7.7
99.08107	3.9
103.03975	1.4
103.05447	3.1
105.04495	1.6
105.07021	43.4
107.04950	9.9
107.08583	32.1
109.02868	16.3
109.06518	8.3
109.10136	14.3
111.04432	10.6
111.08060	8.8
111.08672	1.0
112.57314	1.1
113.06046	1.8
115.05441	2.1
117.06999	21.4
119.08572	33.5
121.06464	6.1
121.10133	28.3
123.04391	2.2
123.08067	5.6
123.11691	8.4
125.05960	1.2
125.09618	2.7
126.11815	1.2
127.03896	16.2
127.07578	1.5
128.06227	3.4
129.05481	4.6
129.06987	17.2
131.04938	2.0
131.08560	31.2
133.06461	3.5
133.10117	24.5
135.08070	4.1
135.11682	16.7
137.05946	1.8
137.09645	3.5
141.06966	5.7
142.07802	3.2
143.08549	12.4
145.06493	3.6
145.10123	20.2
146.94211	1.4
147.08064	5.1
147.11664	26.5
149.05995	1.4
149.09601	8.4
149.13196	6.6
151.11162	1.8
153.12746	1.7
155.08528	3.4
157.10127	19.1
159.08092	2.9
159.11687	13.7
161.05942	1.5
161.09547	1.9
161.13216	7.9
163.11191	5.4
163.14822	1.9
165.12735	7.3
167.08525	2.4
167.10793	1.2
169.10052	7.6
171.08022	2.0
171.11664	9.6
173.04486	8.7
173.09648	3.8
173.13231	7.4
175.11162	13.8
175.14870	2.9
177.12801	2.4
181.10126	4.1
181.12257	3.8
183.11739	6.5
183.13513	1.3
184.07260	1.5
185.09628	2.1
185.13225	6.9
187.11324	2.0
187.14862	4.2
189.12863	1.3
191.10703	4.4
193.10510	1.4
193.12219	32.1
195.11710	4.9
195.13684	2.2
197.13281	5.2
199.06020	1.8
199.11292	1.8
199.14838	3.1
201.12915	1.9
201.16428	2.2
205.15855	1.8
207.11848	1.5
209.13280	2.9
211.11307	2.5
211.13254	47.2
213.16481	2.3
219.13857	1.5
221.13329	2.0
221.15382	1.2
223.14856	3.1
225.12769	1.5
227.12656	5.7
229.14299	2.7
237.16492	1.4
239.18187	1.4
241.19415	1.7
243.21336	1.8
249.14824	1.8
259.15393	1.8
259.20596	5.5
261.22250	5.1
267.15918	9.5
269.17603	2.4
275.20053	1.7
277.21591	2.4
283.15335	1.3
285.16885	8.3
289.21570	1.9
291.15988	1.5
295.15521	1.3
301.21716	4.8
303.23279	1.3
309.21802	1.2
315.23322	1.5
319.22809	2.0
333.24310	2.3
335.25833	15.9
337.16592	3.0
339.23209	1.7
341.24789	2.1
351.23285	4.9
355.17685	5.9
369.24265	6.6
385.23975	2.1
387.25339	3.8
411.20108	5.6
420.16476	1.5
435.32648	4.7
443.27823	4.1
453.33676	3.2
461.28882	3.4
471.34479	2.4
509.36728	1.5
517.38574	1.4
527.37280	28.4
543.35626	1.5
545.38171	8.6
569.38373	1.7
593.37567	1.3
635.39563	2.0
653.40527	5.2
667.93018	1.5
671.41559	6.6
689.42474	71.4
690.42926	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06003	1.3
54.75167	1.4
55.05505	2.8
55.69114	1.5
57.07067	30.9
62.14265	1.6
69.07063	4.1
71.08624	27.8
71.75620	2.5
73.06534	9.4
83.08601	5.0
85.10172	21.3
87.04466	9.1
89.06017	100.0
97.10161	5.1
99.11731	3.8
102.20921	1.5
107.07022	3.2
111.11692	2.8
117.09109	7.1
125.13296	2.7
130.08646	4.9
131.07097	2.3
133.08580	51.7
141.32315	1.7
156.66904	1.7
177.11203	22.2
177.12639	2.8
198.33073	1.8
211.24097	2.5
221.13902	2.1
255.26744	2.7
299.29483	6.0
358.04150	2.0
665.20508	2.2
669.50739	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.7
56.07449	0.7
56.95954	0.6
57.31415	1.0
59.77704	0.7
60.42908	0.6
61.80522	0.8
67.05508	2.2
69.03423	1.3
69.07049	1.1
70.06581	1.5
73.02942	0.9
73.51153	0.6
79.05479	2.7
81.03401	2.2
81.07030	1.8
83.04977	0.8
83.13849	0.6
84.08139	0.7
84.26819	0.6
85.02892	2.0
90.28653	0.9
91.05465	2.5
93.07043	1.3
95.04965	1.1
95.08591	1.2
97.02872	1.4
97.06506	1.8
107.04953	1.4
114.41205	0.8
117.07020	1.2
119.08562	1.6
127.03875	0.9
137.05936	1.3
145.10109	0.7
216.47639	0.7
225.04721	0.8
311.70172	0.9
470.12042	0.8
485.17410	0.8
522.63831	0.8
667.28516	1.5
685.28448	100.0
686.28577	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
55.05508	11.9
57.03427	13.0
57.07072	3.9
59.04994	3.5
61.02922	5.3
65.03937	2.0
67.05499	100.0
69.03431	1.7
69.07061	10.1
71.04987	2.9
71.76188	1.5
73.02930	1.5
79.05487	18.7
81.07048	39.8
83.04983	1.2
83.08623	7.4
85.02889	5.2
85.06543	4.3
90.85433	1.3
91.03955	1.6
91.05462	14.5
93.07041	27.6
95.00927	1.3
95.04944	3.6
95.08595	27.3
95.58971	1.3
97.06541	2.0
97.10122	2.7
105.07015	8.7
107.08579	17.2
109.10149	70.0
111.08095	2.2
117.06995	3.5
119.08563	9.4
121.10157	9.4
121.39581	1.2
123.11714	3.4
125.09637	2.2
131.08560	4.6
133.10118	5.9
135.11700	8.0
137.09604	3.1
145.10106	4.1
147.11671	2.9
149.13214	3.1
150.58781	1.6
155.10675	4.0
159.11676	4.4
161.13289	3.2
163.14856	2.7
173.11749	21.2
173.13193	1.5
187.14870	1.9
209.48331	1.3
227.12796	3.5
229.14337	85.5
243.21085	3.2
255.15941	1.9
261.22095	10.4
298.12732	1.4
309.24249	2.3
313.95380	1.3
317.25079	2.2
332.79120	1.3
335.25763	61.8
336.25934	1.4
489.35712	42.7
507.36758	2.0
551.65601	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01863	0.9
55.05505	12.0
55.62644	0.6
56.05826	0.6
57.03432	13.7
57.07059	3.0
59.04989	4.0
60.49349	0.6
61.02923	4.5
65.03930	2.9
66.30550	0.7
67.05495	100.0
69.03415	1.4
69.07061	7.9
69.57717	1.1
69.58124	5.1
71.04987	2.9
79.05480	20.3
81.03415	2.1
81.07044	40.7
82.07383	0.7
83.04968	1.2
83.08608	7.7
85.02896	5.1
85.06526	3.3
88.18999	0.6
91.03921	1.6
91.05470	15.1
93.07036	27.4
94.93368	0.8
95.04967	3.7
95.08593	27.5
97.02880	2.7
97.06535	1.7
97.10178	2.5
99.08100	0.8
105.04585	0.7
105.07017	8.3
107.08578	15.0
109.02811	0.7
109.10144	75.5
110.10484	1.2
111.08083	3.5
113.09667	0.7
117.07031	2.1
119.08571	10.2
121.10138	11.2
123.08021	0.7
123.11714	3.3
125.09661	1.2
129.06987	1.1
131.08551	5.4
133.10106	5.0
135.11678	7.1
137.09659	2.6
137.13274	0.9
145.10107	3.9
147.11726	2.7
149.13252	4.7
155.10669	2.9
159.11746	2.2
161.13295	3.0
163.14845	3.0
173.11774	17.4
173.13280	3.6
175.14700	0.9
177.16473	0.7
187.14890	2.1
194.94177	0.7
227.12791	2.8
229.14317	68.6
230.14819	1.1
243.21115	4.2
261.22076	15.0
261.24588	0.9
263.23654	0.7
274.54807	0.6
277.22073	0.6
314.27829	0.8
317.24838	3.0
335.25769	59.8
336.26355	2.1
397.30704	0.8
402.18530	0.8
415.32684	0.8
471.34558	1.2
489.35724	44.4
490.36105	1.7
507.37054	2.6
543.69458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45231	1.2
53.03929	4.6
55.01851	3.5
55.05510	7.6
57.03426	11.4
61.02907	1.7
65.03936	2.7
67.05168	2.0
67.05492	18.0
67.33591	1.2
69.03416	4.8
69.07042	6.8
70.06574	6.6
71.01294	1.3
71.04975	3.7
71.74950	2.4
72.08131	1.8
72.86787	1.2
79.05480	20.5
81.03410	100.0
81.07044	17.8
83.04973	9.4
83.08597	11.8
83.38674	1.3
84.08134	1.6
85.02885	10.7
86.09698	2.2
88.11018	1.3
91.05468	41.5
93.07036	16.6
95.01329	1.7
95.04954	17.2
95.08597	12.0
97.02891	3.2
97.06529	9.6
97.10145	2.3
104.31341	1.3
105.07020	11.3
107.04924	5.5
107.08579	4.8
109.06510	3.4
109.10172	6.9
111.04378	2.3
111.08089	4.1
112.69563	1.3
115.05442	2.1
117.06994	5.3
119.08574	33.5
121.06482	5.7
121.10122	6.4
123.08048	4.0
125.09619	2.2
129.06973	5.4
131.04935	1.5
131.08562	5.4
133.06479	2.8
133.10112	5.4
135.08029	3.6
137.05966	3.1
137.09596	19.3
145.06538	2.1
145.10141	2.3
147.08043	10.3
147.11664	5.6
149.09596	4.7
151.07477	1.5
157.06425	1.5
157.10092	6.9
165.09111	15.7
165.12802	1.8
169.10274	1.7
171.07974	1.4
173.09550	1.6
175.11125	7.0
181.20732	1.3
183.10149	2.6
191.10753	1.5
193.12177	12.6
209.09657	1.6
211.13312	9.5
215.06969	2.0
227.10692	4.2
239.10324	2.8
239.12762	54.1
247.07764	1.6
257.13809	8.3
259.09686	3.5
267.15860	33.5
285.16922	9.5
305.67630	1.9
321.18219	1.8
339.19495	9.6
357.20612	16.7
387.21506	2.9
405.22781	10.8
413.23105	6.6
417.22745	1.8
423.58203	1.6
431.18527	3.1
431.24310	56.4
449.25293	37.4
467.26071	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01859	9.2
55.05505	18.5
57.03433	16.8
57.07068	4.3
59.70835	1.8
61.02907	2.4
61.23573	1.7
67.05495	57.3
68.05672	1.7
69.07059	14.8
69.80766	4.9
69.81197	7.3
71.04985	7.4
79.05482	58.1
81.03403	5.0
81.07043	43.2
83.04969	14.3
83.08603	8.3
85.02908	3.2
85.06544	5.0
91.03963	2.4
91.05465	31.2
93.07031	78.0
95.04966	8.3
95.08593	29.2
97.02913	2.4
97.06510	12.5
97.10162	7.3
98.20731	3.5
99.08103	3.8
105.07010	14.2
107.08581	34.5
109.06522	2.7
109.10142	16.2
111.08062	4.5
117.07011	7.6
119.08586	13.2
121.10130	22.8
123.08047	3.0
123.11716	4.4
131.08551	9.7
133.10130	13.3
135.11678	48.6
145.10147	11.3
147.11685	5.7
149.09660	2.4
149.13235	5.3
151.11163	3.0
153.12735	7.0
159.11661	4.3
163.11182	5.7
173.13199	4.1
181.12144	10.6
199.13260	3.2
215.17943	14.2
219.02687	1.8
230.87256	1.9
233.18974	13.3
253.14374	3.0
255.15887	70.1
307.22610	68.7
326.58258	1.9
487.34158	100.0
488.34482	2.1
505.35382	3.2
684.37817	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	10.4
55.01862	5.1
55.05260	3.1
55.05504	32.2
55.83308	1.8
57.03422	7.8
57.07053	3.3
62.22605	1.8
65.03927	7.9
67.05498	74.8
68.05813	2.0
69.03424	4.8
69.07055	19.7
69.98365	9.1
71.04985	4.4
79.05486	100.0
81.02929	3.5
81.03407	64.2
81.07047	74.0
83.04971	10.1
83.08615	14.2
85.06540	4.4
89.03896	4.1
91.05466	73.8
91.06033	4.2
93.07034	99.8
95.04950	28.4
95.08601	46.2
97.06528	9.7
97.10147	3.3
99.08041	3.6
103.05459	3.8
105.03414	2.1
105.04490	2.5
105.07012	47.8
107.04948	7.6
107.08584	32.4
109.06492	7.2
109.10139	20.4
111.04453	2.5
111.08068	4.2
112.51633	1.5
115.05447	7.0
117.03397	4.4
117.07001	13.6
119.08560	38.5
121.06493	6.5
121.10131	49.4
121.10973	3.8
123.04415	5.6
123.08063	6.4
123.11713	6.0
125.09614	3.6
128.06187	2.6
129.06996	15.1
131.04918	4.8
131.08563	24.6
133.02831	2.5
133.10117	29.5
135.04439	9.7
135.08026	5.7
135.11662	15.6
137.09612	8.3
141.06990	2.8
142.07767	2.8
143.04921	2.6
143.06874	1.9
143.08562	5.6
145.02814	5.2
145.06509	5.6
145.10085	13.5
147.04411	6.7
147.08058	6.7
147.11662	19.1
149.05939	3.9
149.09595	13.2
149.13242	6.5
151.11156	3.6
153.06992	2.5
155.08553	4.1
157.06505	7.3
157.10114	9.0
159.04385	19.6
159.11650	9.7
161.02289	10.9
161.06004	4.1
161.09595	2.5
161.13261	4.2
163.03896	51.1
163.11198	2.5
165.05499	5.2
165.09128	6.2
165.12738	3.6
169.06516	5.6
169.10182	3.5
171.04417	4.1
171.11697	4.7
173.02332	33.8
173.05946	11.9
173.09639	2.9
173.13295	7.6
175.03876	4.2
175.07587	4.2
175.11188	8.5
177.12767	3.2
179.08537	3.1
181.06471	3.5
181.10088	2.7
183.08064	3.6
185.05977	9.6
185.13269	3.3
187.03886	36.6
187.07542	5.1
189.05496	6.5
191.03418	2.6
193.10094	2.5
193.12231	9.4
195.08054	4.2
197.05975	5.8
197.09612	2.0
199.03889	18.7
199.07608	3.1
201.05444	12.2
201.09056	2.0
203.03539	2.6
205.15898	2.1
207.07994	3.2
209.09715	2.5
211.07530	6.1
211.13217	8.8
213.05440	26.0
213.08981	3.4
213.16403	7.1
215.06992	4.3
215.17944	12.8
217.04987	2.3
221.09708	2.0
223.07579	2.2
223.11305	2.2
225.05525	4.8
225.09114	4.5
227.07062	5.7
229.04987	4.1
231.17397	9.1
233.18970	9.4
239.07166	2.3
239.10695	7.0
241.08630	2.5
241.12177	2.8
249.18448	4.8
251.10666	3.7
253.12271	3.0
255.10147	2.6
265.12311	4.0
267.13779	24.8
267.16379	2.7
283.10388	1.9
283.13272	11.2
285.14789	2.3
289.21500	3.4
293.11737	7.8
305.21167	3.9
307.22620	18.9
309.11331	4.3
309.14688	3.5
311.12756	20.3
311.16458	11.5
313.14505	2.7
327.12225	5.8
327.16010	9.6
329.13882	7.9
335.25885	3.1
337.14212	16.2
345.13437	5.6
355.15338	40.5
356.15289	1.9
357.17041	6.7
373.16379	10.3
401.15863	6.1
411.18066	3.5
429.19043	27.8
431.20935	2.4
447.20309	4.9
559.34155	3.9
569.32367	5.7
577.35425	3.5
587.33624	17.3
595.35461	3.5
605.34540	16.6
623.34918	2.7
633.37518	3.3
643.35986	3.1
651.39142	20.7
661.37250	37.8
662.37897	2.2
679.38367	93.0
680.38629	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.1
55.05489	0.2
57.03416	0.3
61.02921	0.2
69.03423	1.5
70.06580	0.2
70.78381	0.3
71.86728	0.1
78.94685	0.1
79.05486	0.1
79.29127	0.1
81.03399	0.5
82.86795	0.1
83.04945	0.3
84.04471	0.1
84.08097	0.1
84.27380	0.1
85.02885	1.5
86.09712	0.1
87.00809	0.3
87.04456	0.7
95.04979	0.1
97.02881	1.4
98.54607	0.1
99.04412	0.2
100.11235	0.9
101.11556	0.2
105.01835	0.4
109.02850	0.5
109.65347	0.1
111.04409	0.4
115.03905	0.8
121.36800	0.1
127.03884	0.8
128.07074	0.2
129.05447	0.2
133.04933	0.5
145.04935	0.3
149.05928	0.2
153.01767	0.8
171.02840	0.2
175.03810	0.2
182.15428	0.1
183.15735	0.1
209.16449	0.3
210.14919	0.2
211.15224	0.1
229.04942	0.3
231.04962	0.2
257.04568	0.1
258.05200	13.4
259.05701	0.3
279.91907	0.1
286.04666	35.7
287.05011	0.8
299.05774	0.2
301.07007	100.0
302.07382	2.0
360.42804	0.1
404.25897	0.1
431.12546	0.1
463.12466	0.5
465.55322	0.1
501.10544	0.2
531.11102	0.1
533.87982	0.1
549.12262	1.9
595.16046	0.3
680.51068	0.9
681.16730	0.8
681.51544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70547	1.7
51.02370	3.0
53.03932	11.4
55.01855	6.5
55.05503	19.2
57.03429	8.2
59.05001	1.8
65.03929	5.1
67.05494	82.7
69.03428	5.5
69.07052	24.0
70.06599	3.3
70.06998	6.5
71.04981	5.1
72.95046	1.4
77.03913	2.2
79.05014	3.7
79.05479	75.5
81.03406	100.0
81.07044	77.6
83.04961	10.7
83.08614	9.0
83.92592	1.5
85.02890	2.6
85.06535	3.4
89.03925	3.9
89.56644	1.7
91.05465	94.2
93.07028	92.4
95.04946	17.8
95.08588	59.5
95.09187	3.3
97.02884	2.2
97.06522	6.6
97.10155	2.8
98.21426	2.2
99.27557	1.5
103.05455	6.1
105.04529	2.1
105.07018	41.4
107.04910	7.9
107.08578	36.4
109.06528	6.4
109.10144	22.8
111.08089	4.5
115.05468	5.2
117.03358	4.8
117.06994	18.3
117.72255	1.7
119.04945	2.7
119.08565	57.8
119.09395	3.7
121.06493	19.2
121.10120	32.4
123.04416	9.6
123.08051	11.9
123.11687	6.8
125.09610	1.9
128.06273	1.9
129.06972	11.0
131.04950	6.0
131.08551	19.2
133.02847	3.7
133.06462	2.4
133.10112	22.6
135.04419	12.9
135.08069	4.6
135.11694	19.2
137.05971	3.1
137.09598	24.3
137.13213	2.0
139.11157	2.1
141.06966	3.5
142.07753	2.0
143.04953	3.2
143.08578	4.9
145.02887	6.8
145.06474	5.4
145.10138	13.3
147.04408	10.1
147.08012	19.1
147.11664	15.4
148.08821	4.4
149.05957	4.7
149.09625	6.6
149.13229	9.9
153.06998	1.7
153.12743	2.0
155.08606	3.1
157.06506	5.4
157.10146	5.7
159.04413	15.2
159.07925	1.9
159.11697	9.5
161.02315	13.2
161.05934	8.9
161.09663	2.3
161.13211	6.4
163.03886	75.1
163.11174	2.3
163.14883	3.3
165.05452	9.6
165.06857	2.9
165.09097	34.2
165.10432	3.1
167.08504	2.9
167.10719	2.9
169.06514	3.1
169.10080	2.1
171.04436	2.7
171.08043	3.2
171.11710	3.6
173.02327	49.3
173.03773	2.9
173.05928	11.4
173.13245	8.5
175.03908	8.4
175.07556	5.2
175.11223	3.9
175.14854	1.9
177.05489	3.4
179.08553	2.4
181.06506	4.9
181.10072	2.1
183.04422	1.9
183.08038	3.0
183.10176	7.9
183.11642	4.0
185.05978	5.4
185.09621	2.1
185.13231	3.4
187.03883	31.5
187.07492	3.0
187.14841	4.6
189.05519	7.6
189.09233	2.3
189.12685	2.1
191.03419	5.5
191.06915	1.8
193.10112	2.5
193.12109	1.9
195.08032	4.3
197.05913	3.6
197.09624	2.8
199.03905	23.2
199.07555	6.1
201.05449	11.3
203.06905	2.2
205.04955	2.0
207.08176	2.3
209.09624	3.0
211.07600	7.0
213.05530	9.1
213.09109	2.6
214.09770	1.7
215.07135	2.2
215.10616	3.2
215.17957	4.9
217.05000	5.1
219.08022	2.5
221.09543	4.4
221.11644	2.1
223.07556	3.3
223.11206	2.3
225.05542	3.0
225.09212	3.9
227.07048	2.5
227.10651	1.9
229.05029	7.5
235.07547	2.2
235.11151	2.0
237.09129	6.2
239.06987	5.7
239.10591	11.6
243.21094	4.4
245.09898	1.7
249.12868	1.7
253.08638	2.2
253.12320	4.3
255.10167	8.7
257.11685	2.3
259.20560	8.2
261.22067	14.0
263.10889	2.5
265.08652	4.2
265.12399	2.6
267.10281	3.5
267.16074	2.4
269.11743	1.9
277.21652	4.0
281.11746	7.0
283.09698	21.6
283.13281	6.7
285.11267	2.3
291.10175	5.6
293.11786	2.7
295.13229	2.0
307.22772	3.7
309.11179	21.8
311.12778	2.1
313.21576	2.5
317.24661	3.1
327.12228	28.5
327.15860	3.1
329.13742	10.0
333.24344	3.3
335.25793	19.1
337.14185	4.0
345.13275	34.0
347.14603	9.1
355.15381	6.2
361.23972	2.4
377.64648	1.7
401.15936	49.9
401.21173	3.1
403.17596	8.8
423.25668	3.2
429.19199	5.6
500.34311	2.3
543.30969	2.1
569.32233	9.8
577.35016	3.8
587.33594	25.6
605.34631	23.7
623.35583	2.5
633.37720	4.0
637.37189	2.5
643.36066	6.5
651.38776	13.7
661.37262	52.3
679.38269	94.4
680.38947	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	2.1
53.03928	5.3
55.01860	6.9
55.05494	11.8
57.03422	12.3
58.69910	1.8
61.02916	2.7
63.69926	2.0
67.05495	29.6
69.03413	6.0
69.07062	5.0
70.06588	3.2
70.09753	4.7
70.10153	3.8
71.04987	4.5
73.02902	2.5
75.73608	2.2
79.05475	21.3
81.03404	49.7
81.07043	21.9
83.04967	6.5
83.08593	9.7
83.77397	2.1
85.02886	18.2
85.06529	2.6
91.05465	70.6
93.07032	34.0
95.04951	12.4
95.08585	22.0
97.02870	9.1
97.06512	8.3
99.00808	12.9
99.04376	2.9
103.05403	2.7
105.07014	20.0
107.04944	8.6
107.08553	10.8
109.02855	5.2
109.06479	6.5
109.10142	15.4
111.08061	6.5
115.03912	3.7
117.06990	6.2
119.08569	79.8
121.06516	9.9
121.10139	6.3
123.04407	2.3
123.08064	5.4
123.11662	2.3
127.03886	2.3
129.06949	4.4
131.08551	3.5
133.06453	2.9
133.10104	32.7
133.11128	2.4
135.08061	7.7
135.11647	3.2
136.07542	5.2
137.06007	2.6
137.09581	30.8
139.07552	3.6
143.08578	4.1
147.08023	10.8
151.07512	2.1
151.11139	11.1
157.10062	2.0
161.09579	14.3
163.07568	3.9
163.11148	2.1
165.09073	29.2
171.08028	4.1
179.10701	5.7
183.10144	14.1
189.09071	5.9
193.12270	4.2
207.10127	3.2
211.13289	6.8
220.09309	2.0
225.11137	8.9
227.12740	3.2
239.12770	26.9
245.75813	2.1
255.12317	6.2
257.13803	46.9
267.15860	8.0
271.07092	4.3
281.13809	4.5
283.15262	5.0
285.16861	5.1
299.14841	72.0
313.08124	3.6
431.24374	9.2
435.23590	2.3
445.22198	3.5
449.25107	10.1
463.23184	25.8
481.24268	100.0
482.24774	3.2
679.25714	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.8
52.94151	1.2
53.03938	9.7
55.01855	6.7
55.05503	27.9
57.03421	6.5
57.07056	3.3
60.74359	1.6
65.03922	4.9
67.05495	72.4
68.05843	1.3
69.03412	6.3
69.07059	17.6
70.18872	5.5
70.19293	2.4
71.04976	5.8
77.03908	1.4
79.05482	95.5
81.03407	62.6
81.07044	70.2
83.04967	7.8
83.08599	11.6
85.02920	1.8
85.06539	4.3
91.05463	74.3
93.07030	88.0
94.07355	1.7
95.04955	25.0
95.08596	40.3
97.02867	2.2
97.06519	6.4
97.10150	6.1
99.08066	3.2
103.05452	5.6
105.04521	2.1
105.07011	43.4
107.04964	4.3
107.08569	29.6
109.06506	8.6
109.10136	19.5
111.08073	3.8
115.05434	6.5
117.03382	2.9
117.07005	14.1
119.04919	2.0
119.08561	36.3
119.09389	2.3
121.06499	5.3
121.10126	46.3
122.10512	1.6
123.04438	5.1
123.08045	5.0
123.11689	7.6
125.09657	2.4
128.06221	4.0
129.05482	1.5
129.07011	10.8
130.07712	1.6
131.04936	4.0
131.08546	25.1
133.02835	4.4
133.06487	3.0
133.10112	24.6
134.81908	1.5
135.04399	7.6
135.08020	4.4
135.11667	13.7
137.09586	7.1
141.06949	2.7
142.07770	4.1
143.04942	2.2
143.08540	5.4
145.02815	4.9
145.06474	5.2
145.10085	11.7
147.04387	7.2
147.08012	6.0
147.11671	20.4
148.08864	1.7
149.05969	6.7
149.09599	10.4
149.13237	4.7
151.11195	2.9
153.06966	2.8
155.04865	1.7
155.08513	3.6
157.06487	5.5
157.10040	7.7
159.04393	14.3
159.11641	7.9
161.02312	7.9
161.05943	4.7
161.09636	2.6
161.13254	2.7
163.03880	53.5
163.11110	2.5
165.05435	5.4
165.06992	3.9
165.09105	5.5
165.12770	4.7
167.08632	2.4
169.06477	2.3
169.10104	3.0
171.04350	1.7
171.08069	3.5
171.11679	3.9
173.02307	27.4
173.05922	12.1
173.09680	1.4
173.13266	4.9
175.03911	3.9
175.07558	2.2
175.11208	4.3
175.14767	1.9
176.11842	1.6
177.05490	2.6
179.08553	2.0
181.06442	3.4
181.10048	2.5
183.08012	4.6
183.11665	2.2
185.05959	5.5
185.09685	1.9
185.13200	1.9
187.03870	26.9
187.07578	4.0
187.14803	2.4
189.05473	4.5
191.03389	1.8
193.12302	7.1
195.08066	4.5
195.11746	2.2
197.05949	4.1
197.09647	3.2
197.13240	1.9
199.03889	16.4
199.07582	3.9
201.05478	9.1
201.09024	2.0
203.03412	2.9
203.07092	1.8
205.04903	1.5
209.09552	1.9
211.07565	4.7
211.11263	3.2
211.13290	6.1
213.05452	24.2
213.08902	3.2
213.16374	2.9
215.06989	2.9
215.10616	2.0
215.17863	10.8
217.04912	2.4
221.09621	2.9
221.15306	1.5
223.11003	1.8
225.05486	3.6
225.09169	3.5
227.07010	3.7
227.10684	2.4
229.05028	2.3
231.06511	1.9
231.17447	4.2
233.09602	1.6
233.19034	5.6
234.68742	1.4
235.10971	1.9
237.09251	1.6
237.12834	2.4
239.06931	2.1
239.10672	6.3
247.11221	1.8
249.12621	2.4
249.18472	2.3
251.10457	2.7
253.08508	1.9
253.12228	2.7
255.10054	3.4
261.22144	1.8
263.10803	1.6
263.14490	1.6
265.08408	1.7
265.12289	4.2
267.13763	32.3
267.16342	2.6
281.11621	2.6
283.10153	2.0
283.13284	7.2
285.14920	3.3
291.19528	2.1
293.08926	1.5
293.11807	6.2
293.15051	1.8
295.13354	1.7
301.10782	1.7
307.22693	14.9
309.11188	2.2
309.14841	3.5
311.12762	17.6
311.16431	9.9
319.12949	1.4
327.12189	5.6
327.15970	6.6
329.13870	4.1
335.25702	3.7
337.14178	9.5
345.13321	3.4
355.15356	64.7
356.15707	2.7
357.16815	3.9
373.16638	4.7
397.59778	1.4
401.16013	7.6
403.17627	1.8
411.18060	1.7
429.19012	39.0
430.19327	1.5
431.21405	1.6
447.20013	6.4
475.24667	1.9
515.31958	2.0
516.32202	2.6
517.32898	4.2
559.34320	3.3
569.32544	6.1
577.35773	2.5
587.33521	12.8
595.35785	1.9
605.34619	11.1
623.35907	2.1
633.37396	2.7
639.99835	2.0
643.36450	2.7
650.76550	1.7
651.38782	14.2
661.37292	27.6
662.37360	1.9
679.38019	100.0
680.38696	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01846	2.5
55.05504	18.4
56.52000	1.2
57.03435	8.6
57.07066	4.0
61.02922	18.9
63.67012	1.2
65.03938	3.7
67.05496	88.0
69.03430	6.4
69.07060	19.5
69.38398	1.2
69.66600	1.1
71.04977	4.2
71.08630	2.6
71.32247	2.1
71.32581	1.4
73.02916	7.3
75.04463	1.8
79.05482	50.6
81.03419	7.6
81.07047	100.0
83.04970	3.9
83.08617	10.4
85.02895	19.6
85.06519	4.0
91.03947	19.0
91.04900	2.4
91.05465	30.2
93.07035	64.9
95.04970	6.9
95.08594	78.3
97.02880	12.5
97.06502	4.7
97.10154	3.8
99.08070	3.5
105.07023	24.0
107.04900	1.7
107.08582	40.5
109.02871	1.9
109.06500	4.0
109.10142	37.0
111.08053	3.1
113.09625	2.3
115.05503	1.3
117.06998	12.0
119.08567	22.4
121.06549	1.5
121.10134	38.2
121.15921	1.1
122.10513	1.5
123.08059	1.8
123.10844	2.2
123.11690	22.5
125.09595	2.5
127.03895	7.8
129.06985	2.1
130.07736	1.3
131.08556	25.0
133.10106	16.0
135.08058	2.9
135.11681	27.5
137.09589	3.4
137.13216	8.1
139.11176	2.6
143.08464	1.7
145.04930	9.2
145.10106	18.0
147.11664	15.1
149.09604	2.9
149.13240	19.9
151.11172	4.2
151.14815	3.8
153.12762	2.7
157.10065	1.6
159.11687	16.3
161.13252	13.5
163.06024	10.2
163.14783	14.7
165.12796	2.0
165.66678	1.1
169.10027	1.2
171.11609	1.5
173.04433	1.3
173.13249	16.1
175.14790	4.6
177.12802	1.4
177.16357	5.3
179.14317	2.2
185.13193	1.4
187.14804	10.4
189.16287	2.4
191.14284	2.7
197.13187	1.4
201.16348	4.3
219.17432	1.5
233.22491	2.8
243.21049	32.8
261.22113	94.3
262.22488	3.3
263.23615	1.5
275.20102	1.7
279.23184	4.8
317.24625	2.2
335.25781	35.5
353.26801	27.9
354.27173	1.7
376.09241	1.2
455.93927	1.4
497.31311	6.9
515.33289	3.7
672.93146	1.5
677.37671	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01871	1.2
55.05515	1.4
63.99913	1.0
65.03925	2.1
67.05499	6.9
69.03419	2.8
70.06592	4.2
71.03581	2.9
72.08143	2.2
77.03922	1.0
77.06342	1.0
79.05478	4.0
81.03407	4.6
81.05799	1.5
81.07042	3.8
82.06565	1.5
84.08128	1.6
85.02917	3.2
91.05472	7.3
93.05775	4.0
93.07021	6.2
94.06554	13.9
95.04982	2.8
95.08625	1.9
96.04471	3.0
96.08121	6.8
97.02878	1.9
97.06517	3.6
105.06923	1.3
106.06509	3.2
107.07345	1.7
107.08591	4.5
108.04479	1.5
108.08109	24.1
109.02879	2.3
110.09668	6.9
116.04964	4.5
118.06524	2.4
120.04467	4.6
120.08106	10.6
121.05190	1.1
122.06018	54.5
122.09652	2.8
124.03934	3.0
124.07578	27.8
127.03907	3.5
132.04434	3.7
133.05249	1.9
134.06003	12.2
135.08049	4.1
136.07562	73.7
137.08328	2.7
138.05496	8.0
138.08051	2.0
138.09122	36.3
140.07024	2.6
143.16490	1.2
144.04442	9.6
146.05989	18.8
148.03941	6.2
148.07564	2.8
149.04663	2.4
150.05486	32.6
150.09145	4.8
151.03897	2.2
152.07074	10.5
153.01779	1.3
153.09093	2.0
154.05061	1.8
160.03923	18.6
162.05490	85.2
162.09067	2.6
163.07556	2.5
164.07053	100.0
166.08643	4.9
170.08099	3.8
172.03918	51.3
174.05499	8.0
174.09148	2.1
178.04999	4.9
178.08574	2.3
180.06645	1.7
180.10182	22.8
182.08134	13.5
184.09779	1.5
190.04964	20.7
191.05711	1.3
192.06543	7.7
197.10666	1.4
198.09242	1.9
199.08423	1.6
200.03195	1.2
201.10214	1.7
204.06546	83.2
205.07028	1.5
206.08066	7.8
208.09808	1.3
211.12231	1.6
212.09218	1.7
213.10204	2.6
221.10709	1.1
222.07625	2.6
223.08606	2.2
223.12306	1.4
225.10268	1.5
227.11803	1.6
228.12270	1.5
229.13148	1.1
233.12822	2.5
235.08696	2.4
236.09416	2.8
237.10262	3.8
238.11139	1.3
239.08054	1.8
239.11784	3.3
241.09677	2.6
243.11313	2.6
245.12947	1.2
249.10214	2.4
251.08099	3.7
251.11758	3.4
252.08910	1.5
253.09625	4.8
253.13321	2.1
255.11201	4.5
256.11905	1.5
257.12845	3.0
263.08136	3.6
264.08875	2.6
265.09821	1.7
267.11249	3.4
269.09186	7.0
269.12823	3.1
271.10898	1.4
271.14417	5.0
273.12329	5.9
274.04675	1.3
274.12717	3.0
275.13354	1.6
277.09729	2.5
279.11212	9.1
281.09274	2.7
283.10748	3.0
285.03937	2.0
285.12344	5.1
286.12848	2.5
287.10892	1.6
287.13956	9.1
291.13501	1.5
293.08960	1.2
295.10889	6.7
295.13861	1.7
296.11633	1.2
297.12296	41.4
298.12482	1.2
299.10431	1.5
299.13776	2.9
301.12128	1.5
302.04239	4.5
303.13281	5.4
305.09167	1.9
311.10217	6.9
311.13855	3.3
313.11801	7.0
313.15308	2.3
315.13528	5.5
317.06525	31.0
321.08606	1.7
323.10223	37.2
327.13739	1.3
329.11179	5.7
329.14926	13.6
331.12781	5.0
339.13272	11.0
341.11295	7.4
343.12927	4.7
355.12924	11.0
357.14359	3.0
359.12054	1.5
371.16010	4.3
373.13907	13.4
416.49750	1.3
420.19357	5.8
436.18628	1.2
438.19968	1.3
446.17047	11.3
448.18625	2.4
458.16919	1.5
464.17569	7.7
466.16104	6.6
468.20978	3.2
476.17938	1.3
478.14856	1.4
478.19458	5.5
479.13376	2.0
480.21552	5.6
490.14902	2.0
490.20551	2.1
496.20749	2.7
502.15909	3.6
508.20456	4.3
510.18723	1.5
522.23065	17.6
534.18689	2.6
583.25433	2.1
601.26318	3.7
609.23163	3.6
617.24866	2.3
627.24414	16.2
641.26141	2.2
645.25543	14.8
649.28088	1.8
659.26917	11.6
677.27728	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01871	1.2
55.05515	1.4
63.99913	1.0
65.03925	2.1
67.05499	6.9
69.03419	2.8
70.06592	4.2
71.03581	2.9
72.08143	2.2
77.03922	1.0
77.06342	1.0
79.05478	4.0
81.03407	4.6
81.05799	1.5
81.07042	3.8
82.06565	1.5
84.08128	1.6
85.02917	3.2
91.05472	7.3
93.05775	4.0
93.07021	6.2
94.06554	13.9
95.04982	2.8
95.08625	1.9
96.04471	3.0
96.08121	6.8
97.02878	1.9
97.06517	3.6
105.06923	1.3
106.06509	3.2
107.07345	1.7
107.08591	4.5
108.04479	1.5
108.08109	24.1
109.02879	2.3
110.09668	6.9
116.04964	4.5
118.06524	2.4
120.04467	4.6
120.08106	10.6
121.05190	1.1
122.06018	54.5
122.09652	2.8
124.03934	3.0
124.07578	27.8
127.03907	3.5
132.04434	3.7
133.05249	1.9
134.06003	12.2
135.08049	4.1
136.07562	73.7
137.08328	2.7
138.05496	8.0
138.08051	2.0
138.09122	36.3
140.07024	2.6
143.16490	1.2
144.04442	9.6
146.05989	18.8
148.03941	6.2
148.07564	2.8
149.04663	2.4
150.05486	32.6
150.09145	4.8
151.03897	2.2
152.07074	10.5
153.01779	1.3
153.09093	2.0
154.05061	1.8
160.03923	18.6
162.05490	85.2
162.09067	2.6
163.07556	2.5
164.07053	100.0
166.08643	4.9
170.08099	3.8
172.03918	51.3
174.05499	8.0
174.09148	2.1
178.04999	4.9
178.08574	2.3
180.06645	1.7
180.10182	22.8
182.08134	13.5
184.09779	1.5
190.04964	20.7
191.05711	1.3
192.06543	7.7
197.10666	1.4
198.09242	1.9
199.08423	1.6
200.03195	1.2
201.10214	1.7
204.06546	83.2
205.07028	1.5
206.08066	7.8
208.09808	1.3
211.12231	1.6
212.09218	1.7
213.10204	2.6
221.10709	1.1
222.07625	2.6
223.08606	2.2
223.12306	1.4
225.10268	1.5
227.11803	1.6
228.12270	1.5
229.13148	1.1
233.12822	2.5
235.08696	2.4
236.09416	2.8
237.10262	3.8
238.11139	1.3
239.08054	1.8
239.11784	3.3
241.09677	2.6
243.11313	2.6
245.12947	1.2
249.10214	2.4
251.08099	3.7
251.11758	3.4
252.08910	1.5
253.09625	4.8
253.13321	2.1
255.11201	4.5
256.11905	1.5
257.12845	3.0
263.08136	3.6
264.08875	2.6
265.09821	1.7
267.11249	3.4
269.09186	7.0
269.12823	3.1
271.10898	1.4
271.14417	5.0
273.12329	5.9
274.04675	1.3
274.12717	3.0
275.13354	1.6
277.09729	2.5
279.11212	9.1
281.09274	2.7
283.10748	3.0
285.03937	2.0
285.12344	5.1
286.12848	2.5
287.10892	1.6
287.13956	9.1
291.13501	1.5
293.08960	1.2
295.10889	6.7
295.13861	1.7
296.11633	1.2
297.12296	41.4
298.12482	1.2
299.10431	1.5
299.13776	2.9
301.12128	1.5
302.04239	4.5
303.13281	5.4
305.09167	1.9
311.10217	6.9
311.13855	3.3
313.11801	7.0
313.15308	2.3
315.13528	5.5
317.06525	31.0
321.08606	1.7
323.10223	37.2
327.13739	1.3
329.11179	5.7
329.14926	13.6
331.12781	5.0
339.13272	11.0
341.11295	7.4
343.12927	4.7
355.12924	11.0
357.14359	3.0
359.12054	1.5
371.16010	4.3
373.13907	13.4
416.49750	1.3
420.19357	5.8
436.18628	1.2
438.19968	1.3
446.17047	11.3
448.18625	2.4
458.16919	1.5
464.17569	7.7
466.16104	6.6
468.20978	3.2
476.17938	1.3
478.14856	1.4
478.19458	5.5
479.13376	2.0
480.21552	5.6
490.14902	2.0
490.20551	2.1
496.20749	2.7
502.15909	3.6
508.20456	4.3
510.18723	1.5
522.23065	17.6
534.18689	2.6
583.25433	2.1
601.26318	3.7
609.23163	3.6
617.24866	2.3
627.24414	16.2
641.26141	2.2
645.25543	14.8
649.28088	1.8
659.26917	11.6
677.27728	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
60.95484	0.7
67.05485	1.5
69.03429	0.7
69.07064	0.9
71.14469	1.4
78.72823	0.6
79.05486	1.6
81.03421	1.1
81.07051	2.5
91.05468	2.3
93.07050	1.2
95.04962	0.8
95.08568	0.9
97.02876	1.1
97.06522	2.0
105.07043	1.3
107.08555	0.9
117.07082	0.9
119.08575	1.7
120.30521	0.6
129.07016	0.7
130.42445	0.6
135.08090	0.7
143.08525	0.7
149.09613	0.7
184.94495	0.5
185.89479	0.6
217.34962	0.6
224.82454	0.7
374.13806	1.0
375.15103	0.8
376.15314	1.3
386.15088	0.7
388.15543	1.7
389.16119	2.3
391.17282	0.7
392.15488	0.7
394.17490	0.7
395.18170	0.8
399.14761	1.1
402.17041	1.0
403.13318	0.9
403.17722	2.3
404.18295	2.2
407.17566	0.8
408.19223	1.0
413.16379	1.1
415.13425	1.0
415.18161	1.0
416.14935	0.9
417.15494	4.9
418.16644	1.1
419.18216	0.8
421.18811	1.3
427.14145	1.8
428.14819	1.3
429.15527	7.0
430.16565	1.8
431.07922	0.7
431.17526	5.1
432.18594	3.8
433.18674	0.7
442.16541	2.3
443.17215	4.7
444.18353	6.5
445.18585	2.7
455.13004	4.6
456.13629	0.8
457.18533	2.3
458.11862	1.3
458.19931	1.2
459.16260	5.0
460.13049	0.8
460.17801	1.1
461.18390	1.0
470.15808	22.6
471.16187	6.0
472.13629	1.3
473.18808	1.2
474.15405	0.9
475.19785	1.7
482.12366	1.7
484.13113	1.5
486.15463	1.2
487.16113	6.5
488.16574	3.1
489.17200	1.0
490.22369	3.0
495.20523	1.7
497.13602	9.7
498.14752	3.1
499.15533	2.8
500.12677	0.9
501.18750	2.8
502.18484	31.5
503.18732	3.1
511.17151	2.1
512.17139	0.9
513.17944	2.9
515.15186	8.6
516.16180	2.0
518.21887	5.0
521.18274	1.4
522.19031	1.1
523.15900	1.1
523.19153	1.0
525.17780	2.5
527.16211	0.6
527.19031	0.7
529.17023	3.0
530.16632	2.8
531.18823	0.8
532.23199	1.1
542.18585	0.8
543.19739	0.9
546.21014	1.8
547.22589	0.7
550.18451	0.7
551.19092	2.4
555.18958	2.0
556.20282	0.8
568.19702	0.9
572.18988	1.9
574.20648	3.2
575.21503	1.8
576.22186	3.5
583.21692	1.7
585.19464	2.0
589.22839	2.0
595.18530	1.3
599.21301	2.1
601.22565	1.0
602.20129	1.1
603.19373	0.7
606.23615	1.0
613.19379	1.4
616.21686	12.0
617.22205	6.1
618.23193	1.0
627.20886	7.3
631.23712	2.9
634.22644	20.6
635.23438	27.7
636.23608	1.8
645.21857	7.4
659.23254	1.2
677.24469	100.0
678.24823	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01854	2.4
55.05499	4.9
56.05033	1.9
57.03429	5.2
57.20208	0.7
59.56772	0.8
61.02917	8.4
65.03930	1.1
67.05502	8.5
69.03422	3.4
69.07040	1.6
70.06576	3.3
71.01382	0.8
71.04977	1.8
72.08141	0.9
73.02908	3.4
74.84053	0.7
77.03896	1.1
77.90879	0.7
79.05489	9.4
81.03409	96.3
81.07046	10.0
83.04970	4.0
83.08609	24.9
84.08145	1.0
85.02892	12.7
86.09705	2.1
91.03954	9.4
91.04491	1.2
91.05471	13.9
93.07042	5.6
95.04957	30.7
95.08605	2.1
97.02886	9.9
97.06545	1.9
97.10157	1.5
99.04463	1.1
103.03928	0.8
105.07013	8.0
107.04940	6.8
107.08588	3.0
109.02887	2.0
109.06512	2.6
109.10145	1.3
111.04456	2.5
111.08070	10.9
115.05465	1.1
119.04922	1.4
119.08566	9.7
119.78968	0.8
120.08133	1.1
121.06484	2.1
121.10126	5.8
123.04417	2.7
123.08102	1.0
127.03880	4.2
129.07001	7.3
131.08546	8.4
133.06485	3.1
133.10101	5.4
135.08096	1.1
136.07588	0.8
137.09628	2.2
137.26845	0.8
142.07782	1.9
145.04967	4.5
145.10109	1.3
147.04402	2.1
147.08057	2.9
147.11647	7.6
149.09592	5.4
157.10110	12.5
160.36464	0.7
163.06018	7.8
163.11197	2.2
165.12755	2.6
166.65637	0.7
170.05771	0.8
173.06017	0.8
175.11162	17.4
189.12724	1.2
193.12222	73.9
194.12599	1.4
207.13840	1.2
211.13295	6.3
229.08589	0.8
229.35439	1.0
234.98973	0.9
235.13248	4.6
259.13348	2.0
267.15900	37.8
273.15051	1.7
285.16931	100.0
286.17300	1.5
299.18735	1.8
301.14331	1.7
309.16925	17.2
313.11945	1.3
319.15637	0.8
327.18033	3.5
351.18008	3.2
363.17987	5.5
365.85632	0.8
373.13849	1.6
375.18063	3.1
393.19077	3.3
411.19986	2.4
428.07245	1.6
429.21133	1.0
553.51709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01864	2.5
55.05497	4.3
57.03439	6.1
61.02921	7.9
66.39915	1.0
67.05482	7.0
69.03409	3.1
69.07059	2.4
70.06574	2.2
71.05004	3.1
71.05437	1.5
71.54716	0.9
73.02912	3.5
79.05481	8.8
81.03408	96.7
81.07044	7.7
83.04956	4.0
83.08157	1.7
83.08610	21.6
84.08123	1.0
85.02889	9.3
86.09690	2.2
89.89323	1.0
91.03941	8.1
91.05467	10.4
93.07050	5.9
95.04388	1.9
95.04961	27.0
95.05566	1.5
95.08575	2.6
97.02868	8.9
97.06512	1.4
97.10165	2.7
105.07010	9.4
107.04948	5.2
107.08577	3.8
109.02865	1.7
109.06475	2.2
111.04415	2.8
111.08072	10.5
117.06963	1.3
119.04916	1.8
119.08578	8.0
121.06476	2.6
121.10137	5.0
123.04423	2.9
125.09628	1.6
127.03894	3.1
129.06998	7.8
129.10176	1.1
131.08568	6.1
133.06493	3.7
133.10121	6.1
137.05972	2.3
142.07719	1.6
145.04929	3.8
145.10126	1.9
147.04401	2.1
147.08011	3.2
147.11703	5.7
149.09622	4.3
157.10107	10.7
159.07927	1.0
159.15344	1.1
161.05931	1.8
163.06021	6.0
163.11157	2.3
165.12714	2.7
175.11169	14.1
178.61023	0.9
191.06985	1.7
193.12222	72.5
194.12585	1.4
202.69754	0.9
203.62502	1.1
205.12131	1.3
211.13257	7.2
235.13287	4.1
259.13205	1.4
267.15884	52.6
285.16937	100.0
286.17444	1.7
301.14435	2.4
309.16937	22.1
309.20221	1.9
313.11874	2.5
327.17950	1.5
351.17865	3.4
363.18036	8.0
373.13934	4.0
375.18024	3.7
393.18948	5.0
395.83591	1.0
411.20044	3.1
429.21283	10.8
461.23901	1.0
598.50409	1.0
606.44305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	0.3
69.28967	0.2
70.14437	0.8
79.05454	0.4
81.03423	0.4
81.07066	0.5
91.05479	0.4
93.07043	0.5
95.08613	0.2
97.19975	0.2
98.20756	0.4
105.07008	0.3
107.08586	0.4
119.08601	0.3
131.08568	0.2
140.83981	0.2
173.13225	0.2
175.78578	0.2
246.15784	0.2
399.14502	0.6
400.15640	0.4
412.15460	0.3
413.16043	0.8
414.17065	0.3
415.18204	0.4
416.14691	0.5
424.15421	0.3
425.16132	0.6
426.16971	0.5
427.17639	0.6
428.18448	0.9
429.15384	1.2
430.15936	1.0
437.15359	0.2
439.18170	0.3
440.14151	0.4
440.19101	0.4
441.19333	1.3
442.16489	1.0
443.17401	1.6
444.18234	1.6
445.18854	2.6
452.15228	0.2
453.15533	0.8
454.16614	0.5
455.12750	0.6
455.17603	0.8
456.13889	0.7
456.18393	0.8
457.15186	2.1
457.19800	0.6
458.20178	0.4
459.16245	0.3
467.12665	0.9
467.17432	1.6
468.14233	1.3
468.19208	0.5
469.14160	2.4
469.20068	0.3
470.15173	1.8
471.16272	4.2
472.17365	2.0
473.18414	0.4
475.19983	0.4
480.13940	2.3
481.14807	3.4
482.15646	3.7
483.16690	4.5
484.17599	1.3
485.18478	5.0
486.18344	0.3
487.15839	0.3
493.15369	0.4
494.15771	0.9
495.16599	11.6
496.17365	5.9
497.18201	11.5
498.19406	1.4
499.19788	1.0
500.16824	1.0
501.17358	0.5
502.18579	0.7
503.18860	0.4
509.18430	0.4
510.18793	0.9
511.19766	1.3
513.17645	2.0
514.17511	0.3
515.19617	1.2
516.19989	0.3
523.16223	0.5
525.18048	0.3
527.19562	0.5
528.16345	0.5
529.20807	1.0
531.18896	0.7
536.19269	0.5
541.17010	0.5
542.18512	0.9
545.23322	0.4
555.18597	11.2
556.18994	1.3
557.20764	0.8
558.19757	0.3
573.23816	3.4
583.22363	1.1
584.23004	0.4
585.23004	0.7
596.22046	0.6
601.22644	0.5
616.22589	0.3
617.22388	3.6
627.23169	0.3
628.21735	0.3
629.22650	0.3
643.24030	4.3
644.15106	0.3
644.24036	1.0
645.21741	2.3
657.25543	0.7
660.24310	3.8
661.24347	0.3
675.26508	100.0
676.26807	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44784	0.3
75.66029	0.3
75.66466	0.3
79.05493	0.5
80.15379	0.3
81.07072	0.4
91.05499	0.4
91.12219	0.3
131.08606	0.3
133.79839	0.3
177.74873	0.4
224.44908	0.3
229.58919	0.4
249.67464	0.3
261.90445	0.3
265.52383	0.3
271.27786	0.3
385.56104	0.4
413.15860	0.4
415.14014	0.3
430.16068	0.5
439.14102	0.6
441.19653	0.4
442.16479	0.4
443.17224	0.4
444.17984	0.5
445.18958	0.5
452.15012	0.4
453.15976	0.5
454.16550	1.2
455.13425	1.1
456.13937	0.4
457.14801	0.4
467.12543	0.6
467.17813	0.6
468.13593	2.5
469.14835	8.3
470.15326	2.1
471.16306	1.4
472.17789	0.4
480.14313	0.4
481.14902	2.5
482.15796	10.0
483.16623	9.1
484.17407	2.1
485.17920	1.2
494.15979	0.4
495.16721	3.4
495.46671	0.3
496.17404	6.7
497.18164	38.2
498.18829	4.6
499.19656	1.1
510.19150	2.3
511.19748	4.7
512.20911	1.4
513.17896	0.5
515.19354	2.2
523.16040	0.9
525.21570	0.4
527.15350	0.3
528.16449	2.6
529.17181	0.5
538.20087	0.8
539.21924	0.4
541.17548	0.9
542.17590	2.5
555.18652	4.5
556.19269	3.5
557.20258	3.5
569.20435	0.9
573.22711	0.9
578.46033	0.3
583.21918	0.7
616.21674	1.2
617.22565	1.0
629.22382	1.0
643.23877	6.5
644.24701	6.9
645.23682	1.4
657.25586	6.3
658.26227	0.4
660.24182	1.3
675.26508	100.0
676.26715	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65218	0.5
62.75295	0.5
67.05486	0.7
70.06586	1.2
71.13950	1.0
87.00827	0.7
91.05453	0.9
94.06543	0.9
97.06532	0.8
105.07028	0.7
108.08100	2.7
109.02826	0.7
114.18544	0.8
116.04964	1.3
118.06521	0.7
122.06026	1.4
124.07557	2.1
124.20245	0.5
125.88949	0.6
129.04338	0.6
136.07538	3.0
138.09111	2.2
144.04427	2.2
144.08037	0.7
146.05989	3.5
148.07533	0.7
150.05479	1.3
150.09122	1.0
152.07066	1.5
162.05464	1.4
164.07059	2.3
172.03917	12.8
180.10185	1.9
185.10664	0.7
186.11430	0.6
190.05005	1.4
197.07089	5.7
199.08632	8.6
200.09419	10.5
201.06596	0.6
201.10149	0.9
201.13837	0.6
204.06538	27.9
204.12477	0.8
206.08173	0.8
209.07080	0.9
211.08633	8.1
212.09311	6.4
213.10193	13.4
214.10983	7.4
215.08170	2.2
215.11671	1.4
217.09723	1.8
217.13303	0.9
219.14897	1.7
223.08606	0.7
223.12236	0.6
225.10234	4.5
226.10846	1.0
227.08078	1.8
227.11771	18.4
228.08968	0.8
229.09656	5.7
229.13251	1.1
230.10391	12.6
231.11203	1.8
237.10193	2.3
239.08229	1.3
239.11922	1.3
240.08873	1.6
241.09698	3.1
242.10472	2.5
243.11281	8.8
244.11971	2.3
245.08977	2.0
245.12820	35.0
246.13274	1.1
247.14363	2.3
252.08968	0.8
253.09718	2.1
254.10414	1.1
255.11264	21.8
257.09018	0.7
257.12796	1.4
259.10858	1.1
265.09729	1.3
267.11172	1.0
269.09161	7.8
269.12177	1.1
271.10693	1.8
273.12299	100.0
274.12665	1.9
275.13882	1.0
277.11856	1.3
283.10736	16.3
285.12207	3.1
287.10214	1.6
287.13657	1.0
295.10745	1.8
297.12308	6.4
299.05350	1.0
301.11768	16.9
303.09634	0.9
305.11285	1.9
311.10217	9.9
313.11771	2.2
315.13300	2.5
323.10242	5.2
329.11234	2.1
329.14880	1.8
339.13376	2.9
341.11304	1.9
343.13022	1.8
346.16861	0.7
355.12778	1.9
371.16168	4.8
373.13855	1.4
399.15363	1.4
571.25482	1.5
581.22638	0.7
587.25208	0.9
599.24121	0.9
607.21692	1.2
615.24408	24.0
616.25067	0.9
625.23126	4.7
643.23846	15.2
647.27057	24.4
648.26959	1.2
657.25415	3.9
675.26599	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
53.64906	0.7
55.01854	0.9
55.05500	1.2
57.03419	1.6
67.05499	3.3
67.13053	0.6
69.03423	2.1
69.07063	1.5
71.04982	6.2
71.74033	0.7
73.02898	0.8
79.05478	4.7
80.04993	1.7
81.03430	3.2
81.05779	1.6
81.07040	2.4
82.06565	1.9
83.08617	1.0
85.02890	6.2
91.05471	6.7
93.05762	0.8
93.07032	9.7
94.06561	9.2
95.04952	2.8
95.06847	0.8
95.07346	9.0
95.08582	1.7
96.07495	1.1
96.08116	19.2
97.06528	5.1
103.05431	2.4
105.07005	2.0
106.06512	1.9
107.04910	0.7
107.07336	1.6
107.08556	1.4
108.08105	11.5
109.08907	1.2
109.10098	0.6
110.09664	34.3
117.06951	0.7
119.08539	1.3
120.08089	34.2
121.06474	1.8
121.08846	1.8
121.10121	0.9
122.06017	1.7
122.09666	3.6
123.06747	1.8
124.07617	1.5
129.05467	1.0
129.07028	0.8
131.08533	1.4
133.10089	1.0
134.09662	0.7
136.07544	6.3
137.02258	0.8
138.09123	100.0
139.09459	1.6
145.10146	1.1
146.09616	0.8
147.08073	0.8
147.11746	0.9
148.07584	3.9
150.09094	2.1
151.11014	0.6
162.09087	0.6
165.01869	0.9
166.08623	27.4
174.09129	1.8
183.03020	0.7
188.10719	0.7
214.12222	0.9
215.08127	0.9
227.08212	2.0
227.30759	0.7
231.07735	0.7
239.08110	0.7
241.06113	0.8
241.09666	2.2
242.11678	2.6
243.07611	0.9
251.08205	1.5
253.09692	0.8
255.07657	1.5
255.11311	1.3
265.09808	0.7
267.07581	1.2
268.08533	0.7
269.09314	3.3
269.11783	0.6
270.04834	0.8
273.08853	0.9
275.06760	0.8
279.07565	3.5
281.09171	1.0
283.10620	1.1
287.10364	1.3
293.09238	1.0
295.06671	0.8
297.08649	1.2
298.04620	1.4
299.05234	3.2
300.05676	1.4
309.08691	1.2
311.10229	1.8
312.05933	1.0
315.09695	1.5
324.06210	0.7
325.06799	1.2
327.09924	1.1
328.05692	1.8
329.11380	3.3
343.13507	0.9
356.10278	0.8
378.07312	1.2
379.07632	0.7
383.11282	1.2
384.13556	0.8
385.11215	0.6
386.15073	1.3
388.16602	1.7
395.11273	5.4
396.11777	2.5
396.83859	0.7
397.11768	4.6
399.11847	1.8
404.16144	1.0
409.12146	1.1
414.14499	3.3
421.12631	2.5
422.12750	0.7
425.12241	7.1
427.12781	2.3
432.15527	2.2
442.13739	1.5
447.14212	1.2
448.18710	2.3
449.12302	4.5
464.18362	1.4
465.14401	1.2
466.19772	11.0
467.19525	1.1
474.16537	1.8
475.13925	2.5
490.16147	2.2
491.12967	0.8
492.17804	21.2
493.14359	11.6
509.14084	1.7
510.19177	14.2
511.15170	12.2
513.31696	0.8
528.16180	2.1
529.16644	12.2
530.17456	1.2
553.23212	1.4
557.23425	0.8
569.23743	1.1
585.26929	6.9
587.24872	1.2
597.23303	1.0
603.24176	0.9
611.24725	6.1
613.26526	2.8
629.25818	3.6
631.27808	0.7
639.24384	3.0
657.25293	4.3
657.35352	1.1
675.26141	4.4
675.36261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.4
57.06800	1.7
57.07071	33.8
69.07042	5.3
71.08244	1.6
71.08625	29.6
73.06551	7.8
81.07066	1.2
81.96327	1.2
83.08600	4.2
85.10171	16.4
87.04462	9.4
89.06021	100.0
97.10158	5.5
99.11700	1.9
107.07037	2.9
111.11683	3.0
113.13272	2.7
117.09126	7.9
125.13251	1.5
130.08620	3.7
131.07024	3.7
133.08597	53.3
141.16376	1.5
145.23709	1.2
161.11771	1.6
175.09654	1.5
177.11208	22.2
197.22643	3.1
218.98335	1.1
221.13770	4.8
229.46191	1.4
241.25215	4.1
283.17493	1.5
285.27841	6.1
312.27811	1.1
329.30444	3.8
374.86386	1.1
459.27664	1.5
482.61337	1.6
631.92523	1.4
648.06091	1.6
655.49762	2.9
673.26099	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.6
58.06600	0.7
60.08158	6.3
67.05489	2.0
69.07039	0.6
71.04980	0.4
71.07356	2.9
71.75444	0.5
76.45062	0.4
79.05466	1.1
81.07021	1.1
83.08609	0.5
86.09694	31.7
91.05458	0.7
93.07021	1.0
95.08576	0.8
98.98456	2.5
102.53036	0.3
104.10727	2.3
105.06999	0.8
107.08567	0.8
109.10144	0.5
117.06934	0.4
121.10108	0.4
121.25777	0.3
124.99982	20.5
131.08517	0.4
138.70300	0.4
143.00987	0.5
184.07320	100.0
184.63542	0.3
245.46017	0.4
277.46259	0.4
310.20224	0.4
412.72623	0.4
418.16974	0.5
674.43848	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.0
57.07070	34.4
67.05481	2.1
69.07053	2.6
69.22697	0.6
69.41940	1.1
69.42352	6.0
71.08241	1.3
71.08625	23.7
73.02910	0.9
73.06544	10.1
79.05457	1.1
81.03381	0.8
81.07048	2.3
82.75787	0.6
83.08610	2.6
84.84625	0.6
85.10172	19.8
87.04452	9.4
89.06019	100.0
91.05490	1.4
91.07581	1.7
93.07030	1.0
95.08607	0.8
97.10136	2.8
99.11720	4.6
105.06995	0.8
107.07057	4.2
111.11735	0.9
113.13288	1.3
117.09117	8.6
130.08604	4.1
131.07043	3.0
133.08589	48.6
135.10167	0.8
139.85231	0.7
155.17947	4.3
161.11736	1.9
161.17393	0.7
175.09695	1.4
177.11206	21.1
177.12769	1.2
179.12846	0.8
187.66479	0.6
199.20500	3.4
219.12305	0.7
221.13675	3.3
239.14983	0.9
240.23219	1.0
243.23163	8.4
283.17477	1.6
287.25797	4.3
327.20239	1.0
357.16272	0.6
490.14728	0.6
543.62506	0.6
657.47931	2.6
674.50598	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.3
57.03432	2.0
57.07060	1.4
64.04932	1.3
67.05496	6.8
69.03421	1.9
69.07057	3.5
71.38312	2.5
74.99637	1.2
79.05481	5.4
79.68031	1.2
80.14924	1.3
81.03418	5.1
81.07049	7.1
83.04952	1.7
83.08602	2.7
91.05473	7.0
93.07017	6.4
95.04989	1.6
95.08598	3.6
97.10148	2.3
98.98415	1.4
105.06996	3.0
107.04927	1.7
107.08585	3.4
109.10151	1.8
114.60732	1.1
117.06988	1.5
119.08542	2.5
121.10113	2.8
129.06987	2.2
129.15080	1.3
131.08487	2.0
133.10068	2.4
134.50983	1.6
145.10214	1.7
147.11655	1.9
192.70596	1.5
267.15945	2.2
304.15555	1.2
311.26022	2.2
335.25891	3.7
398.14017	1.7
399.14609	3.4
412.15622	3.3
413.16040	16.7
414.17059	15.4
415.18134	1.7
426.16861	5.8
427.17673	17.7
428.18375	23.8
430.16211	2.6
432.19357	2.2
441.19742	10.4
442.19907	25.9
443.20789	10.7
455.16385	2.5
455.21375	1.9
456.21695	1.5
458.15396	1.5
469.18683	35.2
470.18689	15.2
471.18124	1.8
472.17328	4.7
473.18195	4.9
474.18280	2.9
486.18524	1.8
497.18570	1.8
501.21228	3.5
503.37576	6.2
505.18655	1.8
509.17899	2.2
513.17670	21.7
514.17511	10.2
525.21411	6.4
541.20605	3.1
557.23926	100.0
558.24298	9.4
588.25726	32.0
589.25757	3.1
600.22455	2.5
601.22180	2.2
615.24438	15.8
616.24731	36.3
617.24634	4.0
631.27771	2.6
643.13660	2.6
643.23962	49.9
644.24011	6.0
675.26135	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95968	1.6
67.05495	1.7
69.41045	5.1
69.41457	13.9
81.07050	3.0
82.25600	1.6
136.12849	1.6
169.08789	1.7
209.10782	2.2
223.12320	2.2
225.13913	3.8
237.13895	2.3
249.13899	2.0
263.08289	2.2
286.77060	2.1
325.37625	1.7
377.17322	1.9
396.13422	1.9
415.19266	2.6
426.14752	1.9
427.15402	1.8
441.16907	4.0
443.18530	2.4
457.20627	3.8
469.16357	3.5
470.17175	3.2
471.21451	2.9
472.23071	3.1
475.21097	3.7
485.19708	4.7
497.15359	2.0
499.21368	14.1
500.21939	6.7
501.19244	2.4
503.20551	4.5
513.19000	3.8
517.22223	11.3
527.20801	21.2
528.21350	2.9
528.83368	2.0
543.23798	16.8
545.21783	5.0
555.20074	2.1
559.23102	5.0
565.27759	3.5
587.22858	100.0
588.23114	5.0
619.25415	69.2
620.25909	3.0
637.26715	8.4
669.28662	2.6
674.96796	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47083	0.3
52.88896	0.3
53.03936	0.4
55.01880	0.7
55.05509	0.7
57.03431	2.1
61.02916	3.3
63.27959	0.3
65.03939	0.5
67.05499	1.6
69.03429	2.6
69.07069	0.4
70.06583	0.3
70.61808	1.0
71.01347	0.3
71.04976	0.5
73.02911	3.1
79.05492	1.5
81.03408	5.1
81.07043	2.3
83.04958	0.7
83.08594	0.7
85.02892	5.6
85.70347	0.3
86.09692	0.5
91.03952	2.2
91.05470	6.7
93.07030	2.2
95.04967	1.5
95.08588	1.6
97.02879	3.4
97.06514	0.6
98.20705	0.3
99.04446	0.6
101.02352	1.7
103.03957	0.4
105.06985	1.6
107.04921	0.4
107.08624	0.5
109.02887	1.0
109.06554	0.6
109.10157	1.0
111.08150	0.5
113.06161	0.3
117.07011	0.5
119.08575	6.1
121.06490	0.4
121.10098	0.7
127.03914	1.1
129.07010	0.9
133.10107	0.6
135.08023	0.3
137.06033	0.5
137.09596	2.3
147.08026	1.5
147.11729	0.7
157.10135	0.8
165.09123	1.2
175.11220	0.6
177.46448	0.3
185.04234	0.6
193.12245	0.9
211.13327	0.6
223.09381	0.6
239.12970	0.4
243.08424	2.2
251.12711	1.2
257.13882	0.5
269.12592	0.5
279.12189	0.5
441.17282	9.2
443.83813	0.4
469.20490	4.3
507.25748	0.5
528.35712	0.4
669.30847	100.0
670.31067	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3066
Annotation	CHEBI:68361
Peak:m/z	Relative Intensity
55.05497	4.3
56.11026	1.6
59.48267	1.4
67.05493	7.7
69.07070	1.7
69.56038	13.5
77.72381	1.7
79.05489	5.3
81.03407	4.9
81.07058	6.3
89.32901	1.6
91.05467	3.7
93.07051	6.3
95.04935	3.5
95.08643	3.6
105.07038	5.1
107.08578	2.6
109.10099	1.7
119.08604	3.0
121.10134	3.2
123.08018	1.9
125.09638	2.5
131.08533	3.1
133.10107	2.2
145.10133	3.3
147.08058	2.1
147.11742	1.9
163.11281	1.6
215.10107	1.8
239.11911	2.5
277.15948	1.6
334.14120	2.9
359.99515	1.8
379.19162	2.0
381.90021	1.9
395.22250	5.2
403.19244	2.1
423.21799	4.7
431.22559	3.1
446.21033	2.8
447.21893	2.6
448.22824	1.8
455.24438	3.1
459.21747	5.0
460.22763	3.0
461.19931	6.4
462.20367	2.8
469.25601	3.4
477.23529	3.6
487.21399	5.1
488.21536	2.1
503.20703	3.6
505.22525	6.3
507.24136	4.1
509.25848	2.8
517.22394	2.6
519.24011	9.9
524.24274	2.5
533.25378	2.7
537.25330	3.9
547.23297	35.4
561.25171	4.0
562.25476	3.2
575.22906	12.7
593.27502	42.9
594.28375	2.8
601.32318	2.3
607.25543	3.1
621.27240	11.2
639.27576	3.8
641.25470	2.3
653.29602	77.0
653.39172	3.2
654.29962	3.0
671.30646	100.0
671.41058	4.8
672.30756	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.4
57.03434	3.7
57.07071	35.7
61.02925	12.7
65.80965	0.5
67.05499	11.0
69.03415	1.9
69.07060	6.8
71.04971	0.7
71.08624	29.4
73.02896	5.0
75.04460	2.0
79.05470	1.9
81.03406	1.5
81.07049	15.1
81.07529	0.7
83.08609	10.7
85.02898	16.3
85.06518	0.7
85.09669	0.9
85.10171	15.3
87.04401	0.5
89.05985	0.7
91.03947	12.2
91.05466	1.9
93.07046	1.7
95.04945	0.7
95.08591	22.2
96.08913	0.5
97.02878	8.6
97.10165	5.2
98.21445	1.1
99.04443	1.1
99.11724	1.3
103.07580	0.7
105.07001	0.9
107.08558	0.8
109.02860	1.2
109.10143	11.5
111.11683	1.0
113.13313	0.6
115.03913	0.9
117.07014	0.9
121.10151	0.8
123.11697	5.2
125.13250	1.0
127.03912	5.3
137.13232	2.0
139.14781	0.6
145.04959	6.5
151.14809	1.5
163.06004	11.2
163.07324	1.1
221.22612	1.1
230.01036	0.6
239.23680	22.2
257.24768	3.2
313.27332	100.0
314.27652	3.9
331.28403	34.8
332.28873	1.5
435.14316	0.5
672.30420	1.0
672.41278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08493	0.5
65.05660	0.5
67.05486	0.5
71.75240	0.6
81.07050	0.7
86.88959	0.5
97.06567	0.4
100.76884	0.6
147.28661	0.4
147.60887	0.4
163.14841	0.4
277.31772	0.5
377.17761	1.1
378.18448	0.8
379.19037	0.9
390.18546	0.9
391.19263	2.0
392.19885	1.4
393.20828	1.4
405.17123	2.1
405.21521	1.1
406.17670	1.1
407.22598	5.1
408.23288	1.0
418.17471	0.8
419.18295	3.9
420.19431	1.9
421.20120	4.5
423.21939	1.2
433.20972	4.5
434.21255	4.0
435.21814	9.5
436.22656	0.9
447.17685	1.8
447.22183	1.9
448.18982	1.5
449.19504	6.5
450.20425	0.8
461.19659	1.6
462.20230	3.7
463.21118	4.1
464.22272	1.4
475.21277	1.7
477.22906	1.0
479.20642	1.0
493.26776	0.5
495.24011	0.7
506.22696	0.7
507.21164	0.6
509.22375	0.6
521.25720	10.6
522.22772	1.8
523.23187	0.9
535.23651	1.0
536.24432	0.5
547.27313	0.6
549.24884	20.4
550.25659	1.4
567.25232	0.5
581.27759	3.5
591.26172	0.6
606.41467	0.5
609.27032	14.6
609.36542	1.0
610.27264	1.5
637.26447	0.9
669.29144	100.0
670.29492	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28687	1.5
67.05473	2.1
71.75365	3.0
79.05451	1.8
81.07049	3.1
83.04975	1.8
83.08604	2.0
95.08599	2.9
158.09734	1.7
203.31790	1.6
223.12338	2.8
225.13858	3.3
228.53154	1.7
231.11894	2.0
237.13792	2.5
249.10191	2.7
275.73337	1.8
314.13568	2.0
351.50076	1.6
426.14240	2.1
428.16107	2.6
441.17322	2.8
443.18478	2.6
457.20071	5.3
469.16632	5.6
470.17545	3.4
472.22653	2.5
484.17386	1.8
485.19370	5.5
489.22824	3.9
491.20721	2.7
499.21237	11.4
500.22052	4.5
503.20718	6.0
511.21320	3.1
512.17975	2.7
517.22363	12.7
527.20697	25.6
528.21234	5.1
543.24030	15.8
545.21375	5.4
555.20160	4.3
559.23181	4.8
577.24200	2.4
587.22870	100.0
588.23029	3.9
605.23981	2.8
619.25433	78.1
620.25507	4.4
637.26740	11.2
669.28778	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2909
Annotation	Agrimol G
Peak:m/z	Relative Intensity
56.38846	0.3
67.05502	0.6
69.43990	1.3
69.44421	2.0
81.07058	0.7
84.03548	0.3
91.05477	0.4
106.85337	0.3
107.08562	0.4
143.08495	0.4
200.76273	0.3
205.57088	0.3
264.14551	0.3
303.10556	0.4
323.03564	0.3
342.12344	0.4
377.17853	0.8
378.18512	0.5
379.19257	0.7
391.19452	1.5
392.20065	1.1
393.21060	1.6
394.21515	0.4
405.16510	1.7
405.21124	1.1
406.17886	1.2
406.22488	0.4
407.18268	0.8
407.22632	4.9
408.23135	0.5
418.17807	1.4
418.22406	0.6
419.18298	4.4
419.23431	0.4
420.19086	2.1
421.20123	3.5
423.21976	0.4
431.18768	0.7
432.19244	0.5
433.20328	12.9
434.21158	5.5
435.21915	6.4
435.26959	0.6
436.22644	1.1
445.20508	0.5
446.21170	0.9
447.21899	1.4
448.18869	1.2
449.19586	7.1
450.20200	0.5
461.19156	0.4
461.24231	0.7
462.20340	1.5
463.21115	3.7
463.26071	0.3
464.22296	1.2
465.23474	0.4
475.21735	0.5
477.22940	1.0
479.24612	0.6
489.23071	0.5
493.22586	1.9
495.23907	1.2
505.22324	1.0
507.19910	0.7
507.23615	0.6
509.21124	1.9
520.25049	0.9
521.26080	8.2
522.22467	3.7
523.23041	3.8
534.98938	0.4
535.23456	1.7
536.24377	0.4
548.24292	0.7
549.25079	5.0
550.25024	0.5
551.23822	0.4
565.24426	1.1
567.21686	1.5
577.24335	0.5
579.26117	0.6
580.26636	1.2
581.26282	1.4
591.26361	0.5
594.24689	0.4
609.27026	15.7
610.27490	1.1
637.26544	1.4
651.27704	0.7
669.29120	100.0
670.29419	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90979	0.2
63.02540	0.3
65.15502	0.2
67.05493	0.3
71.24771	0.7
75.04475	0.6
79.05505	0.3
81.07066	0.3
91.05440	0.4
131.08551	0.3
223.08769	0.3
225.10155	0.3
272.11874	0.3
294.84070	0.3
312.14966	0.3
314.13184	0.3
326.13025	0.3
340.14905	0.3
363.16177	0.5
376.16898	0.3
377.17627	1.0
378.18634	0.4
387.16022	0.3
389.17496	0.4
390.18695	0.3
391.15314	0.7
391.19385	1.2
392.20062	0.9
393.16251	0.4
393.20819	3.5
394.21451	0.3
403.19620	0.6
404.15964	0.5
404.20679	0.4
405.16360	2.4
405.21066	1.0
406.17773	1.0
406.22296	0.5
407.18570	0.8
407.22894	0.4
415.14752	0.3
416.20291	0.3
417.21329	0.4
418.17801	0.7
419.14038	0.4
419.18558	3.8
420.19467	3.1
421.20190	7.0
422.21124	0.6
429.16696	0.4
431.18738	0.9
432.19885	0.5
433.21170	3.0
434.16394	0.5
434.21091	1.1
435.18237	1.0
437.19476	0.4
443.18686	0.4
444.19385	0.5
445.20044	0.9
446.21146	0.8
447.18164	2.5
447.23001	0.7
448.18753	3.6
449.19635	5.9
450.20587	0.5
451.21228	0.3
461.20313	2.8
462.20926	1.6
463.17221	1.0
463.21939	1.1
464.22351	0.5
465.18839	0.6
472.18954	0.4
473.19736	1.2
475.16486	0.3
475.22351	1.5
476.17572	1.5
476.69418	0.3
477.19003	3.3
478.19714	0.5
479.02283	0.3
479.24731	0.4
481.22171	0.3
489.18866	1.5
490.19763	0.6
491.20557	2.0
492.21631	0.6
493.17822	0.4
493.22992	0.5
494.22971	0.5
495.23969	0.8
503.20789	2.2
504.21384	0.8
507.24344	5.0
517.22498	0.5
521.25134	0.4
522.22876	0.8
523.23303	1.0
534.21289	0.3
535.23407	11.9
536.23682	0.9
547.23376	0.4
549.25055	3.7
550.25427	0.5
554.24988	0.5
559.23206	1.6
563.22858	20.3
564.23157	1.1
567.26721	1.5
577.24329	4.4
578.25092	1.2
579.26031	0.7
581.27692	2.1
591.22693	0.6
595.25427	4.6
609.27026	5.9
610.27979	0.3
619.25281	1.1
623.25018	5.8
637.26361	1.8
638.26862	0.5
641.29681	2.4
669.29120	100.0
670.29456	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.7
67.05486	1.9
69.07048	1.0
69.65006	1.8
69.65407	5.0
78.19703	0.8
79.05489	1.9
81.03421	1.1
81.07050	2.0
91.05475	1.8
93.07037	1.1
94.06457	0.7
95.08604	0.8
98.21446	1.0
105.07004	1.2
107.08585	1.9
109.10115	0.9
119.08620	1.0
125.78557	0.8
133.10138	0.8
193.85478	0.8
207.39037	0.8
363.16187	1.0
376.17062	1.7
377.17661	2.5
378.18671	1.1
391.15100	1.7
391.19437	2.6
392.20096	1.4
393.21106	3.7
403.15375	1.3
404.16467	1.7
405.16589	4.5
405.21567	1.5
406.17749	2.0
407.18823	2.0
417.17044	1.6
418.17923	1.7
419.15018	0.7
419.18762	7.2
420.19498	3.6
421.20206	5.6
433.16690	3.4
433.21344	1.2
434.17126	1.2
435.18369	1.2
436.19122	1.0
446.17545	1.3
447.17844	4.2
448.18829	5.5
449.19894	4.7
458.17523	0.9
459.17929	1.7
461.20087	1.9
475.17188	1.2
476.18414	2.5
477.19287	1.6
489.19040	2.1
491.20917	0.9
503.20520	1.1
505.18533	1.0
507.24484	4.0
511.40155	1.0
519.20630	1.0
531.20831	0.9
534.22424	2.0
535.23352	10.9
563.22888	13.1
564.23828	1.0
564.85040	0.8
581.24310	1.2
591.22119	5.7
594.24902	1.3
609.23474	8.2
623.25098	2.7
633.23120	1.3
637.23102	1.2
641.26703	1.5
651.24347	4.8
669.25500	100.0
670.25647	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2907
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
51.35098	1.6
51.52877	1.7
55.05516	2.3
57.07063	2.0
60.68436	1.5
67.05519	2.2
71.75462	2.2
79.05454	2.2
81.03419	2.3
81.07051	3.2
91.05436	3.4
91.41431	1.6
93.07023	2.9
111.52097	2.1
120.08067	2.2
141.08258	1.7
174.05446	2.3
192.06497	2.3
202.04935	12.3
234.07574	10.5
250.36411	1.9
272.11847	2.3
274.13379	2.5
286.13431	2.7
302.16541	3.9
316.18066	2.3
330.15936	2.8
378.11807	2.1
400.16574	2.1
402.18234	6.7
403.19208	3.8
415.19455	4.1
416.19702	7.2
417.20615	5.4
418.21426	4.1
426.04337	1.9
429.20816	2.8
430.21243	5.7
431.27661	2.0
443.18457	2.7
445.20175	3.8
463.21313	2.4
486.20349	2.7
487.21088	3.4
489.18857	3.8
490.20212	2.3
491.20599	5.2
501.22888	5.2
503.20294	3.4
507.20151	6.5
521.21869	7.2
531.23456	2.0
535.23352	4.3
549.25385	2.2
555.80774	1.9
559.23273	7.5
560.23419	2.5
561.25299	11.2
563.22943	12.7
564.23572	8.8
577.24054	3.6
579.21869	2.9
587.22339	2.9
591.25745	2.9
593.27142	3.1
605.23810	6.2
619.25409	45.1
620.25873	8.8
622.23712	5.0
636.26135	2.9
637.26459	65.6
638.26556	4.7
643.00610	1.9
651.28046	100.0
652.28003	9.9
669.28760	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50037	0.7
53.03938	1.2
54.08766	0.9
55.05504	9.9
57.03437	4.8
57.07069	11.6
61.02919	23.5
65.03922	1.5
67.05499	56.3
69.03415	2.6
69.07060	17.0
70.65218	3.3
71.04995	2.7
71.08628	3.0
73.02909	8.6
75.04460	1.3
79.05484	16.6
81.03427	1.2
81.07046	62.1
81.87968	0.8
82.07387	1.0
83.04990	1.5
83.08607	9.3
85.02895	25.1
85.06543	4.5
85.10163	2.3
89.44429	0.8
91.03945	21.3
91.05462	15.9
93.07035	17.2
93.07638	1.0
95.04965	1.3
95.08595	55.3
97.02890	12.2
97.06529	5.0
97.10159	6.4
99.04382	1.5
99.08078	4.4
105.07021	9.2
107.08583	11.7
109.02883	1.2
109.06474	0.9
109.10147	22.4
111.08068	3.2
111.11741	1.3
113.09635	7.9
115.03908	1.0
119.08573	12.6
121.10134	19.2
123.08064	1.9
123.11689	14.0
125.09605	1.8
127.03891	8.8
127.11172	4.4
133.10114	17.9
135.11684	16.4
137.09570	2.6
137.13240	16.2
139.64503	0.9
145.04953	11.2
147.11676	10.1
149.13286	4.4
149.14279	0.9
151.11189	1.4
151.14807	12.6
153.12733	2.0
161.13252	12.5
163.06009	16.8
163.14780	1.0
165.12776	1.3
175.14822	5.7
177.16321	1.4
189.16385	2.5
191.17923	1.0
197.11574	0.8
217.19495	70.6
218.19807	1.6
235.20541	100.0
236.21036	1.5
237.22237	1.0
238.11282	0.8
253.21617	2.6
309.24200	43.5
327.25250	9.8
453.28467	0.9
471.29593	3.9
574.37860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.1
57.03429	0.5
61.02888	0.1
62.20975	0.1
67.01849	0.5
68.99776	0.5
69.03424	1.3
70.06573	0.4
70.71239	0.3
81.03386	0.5
83.04971	0.2
84.04457	0.1
84.08088	0.1
85.02888	1.2
86.09683	0.2
87.00827	0.2
87.04450	0.5
89.03896	0.3
97.02885	1.0
99.04452	0.1
105.01844	0.2
109.02864	0.6
111.04438	0.3
115.03915	0.9
117.03363	0.1
119.08598	0.1
127.03916	0.9
129.01836	0.2
129.05496	0.1
130.95259	0.1
133.04945	0.4
134.06006	0.1
135.04405	1.5
136.07555	0.1
137.02303	0.5
137.05917	0.1
145.04942	0.3
153.01804	4.9
159.02866	0.2
161.02350	0.5
171.02831	0.7
179.03372	0.2
185.05910	0.1
213.03848	0.2
213.12405	0.1
219.06458	0.1
226.44258	0.1
231.04784	0.2
241.04980	0.5
241.07056	0.1
245.04393	0.1
269.04416	0.4
273.12100	0.1
287.05450	100.0
288.05801	1.4
329.06497	0.2
343.12741	0.2
353.06454	0.1
390.38083	0.1
449.10638	0.4
517.09821	0.1
535.10815	1.8
581.15021	0.2
587.95166	0.1
607.60681	0.1
667.15338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.6
55.01853	6.1
55.05504	19.9
57.03434	10.8
57.06790	3.3
57.07067	61.9
60.20975	1.8
64.48404	1.6
67.05491	44.0
69.03419	28.8
69.07053	15.5
69.55492	18.0
71.04978	6.6
71.08616	36.2
79.05479	29.1
80.48682	1.6
81.03404	100.0
81.07044	52.2
83.04966	18.1
83.08604	33.6
85.02896	18.5
85.06532	2.0
85.10159	19.0
91.05457	26.8
93.07015	16.3
95.04942	19.5
95.08590	43.9
97.02882	28.7
97.06514	5.1
97.10152	9.8
98.20720	3.7
99.04446	8.0
101.18237	2.0
105.07014	24.2
107.04951	7.6
107.08595	11.1
109.02862	24.3
109.06503	5.4
109.10142	16.6
111.04457	10.1
111.08061	5.7
115.05420	2.6
117.07022	7.1
119.08556	18.2
121.06498	2.3
121.10140	11.5
123.08078	2.2
123.11694	11.9
127.03880	16.7
128.06219	2.0
129.06960	12.0
131.08554	9.6
133.06490	3.5
133.10117	9.2
133.58368	1.9
135.11642	2.0
143.08537	2.0
145.06448	2.9
145.10138	4.6
147.08054	3.1
147.11676	21.1
149.09648	5.4
153.12840	2.4
157.10106	10.3
161.05963	2.2
163.11256	4.4
165.12764	6.4
173.04478	2.9
175.11153	11.0
181.12225	4.2
191.10616	2.9
193.12210	36.2
211.11226	3.2
211.13254	58.5
211.15118	4.1
222.86964	2.0
227.12711	5.3
239.23643	9.5
267.15909	8.3
273.14847	5.1
292.12656	1.8
313.16391	2.0
313.27307	29.4
329.61456	2.0
337.16525	3.9
355.17596	13.1
393.19089	2.3
411.19922	9.3
411.32263	2.3
429.21274	2.4
505.38788	6.8
523.39844	18.2
649.43146	2.4
650.44653	2.0
667.31653	7.7
667.43988	80.0
668.44507	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65156	2.4
53.03928	6.0
55.01866	5.0
55.05487	12.8
57.03431	54.6
59.04981	3.8
61.02917	5.4
65.03925	4.5
67.05497	93.3
69.03399	5.0
69.07060	11.4
71.01340	3.1
71.04975	23.3
71.09765	5.8
71.10101	2.9
76.27096	2.4
79.05486	68.6
79.16060	2.5
80.31596	2.1
81.03410	81.2
81.06591	5.5
81.07044	55.6
83.04966	10.9
83.08594	14.6
85.02899	18.6
85.06526	4.8
91.05466	90.1
93.07030	50.1
95.04955	24.1
95.08601	27.7
97.02873	7.1
97.06533	10.6
97.10165	4.9
99.04444	2.8
99.08155	2.8
105.07021	19.1
107.04941	7.6
107.08580	39.0
109.02904	2.8
109.06505	9.8
109.10140	67.6
111.08089	7.3
117.07026	7.9
119.08572	80.2
121.06506	8.6
121.10147	10.5
123.08086	8.4
123.11764	2.4
125.09614	21.5
129.07007	7.8
131.08553	6.8
133.06493	3.4
133.10130	6.3
135.08034	21.2
135.11661	15.3
135.87306	2.6
137.09593	38.5
140.57697	2.5
145.10127	4.2
147.08049	13.6
147.11661	4.6
149.09599	7.3
153.09082	17.9
155.10692	4.2
155.66029	2.6
157.10115	9.0
161.09633	3.3
163.11185	7.5
165.09077	31.6
170.31664	2.4
173.11739	9.6
175.11227	5.2
179.10590	3.5
183.10155	6.9
193.12283	13.8
211.13345	4.0
214.18001	4.7
227.12749	100.0
229.14331	7.7
238.43436	2.5
239.12740	27.6
241.14470	2.7
255.15964	17.0
257.13782	15.4
267.15900	44.6
269.17398	4.5
287.18533	10.5
289.98706	3.2
375.21729	5.5
387.14545	2.8
393.22638	42.5
401.23126	4.3
411.23737	68.2
419.24246	71.8
419.29895	3.5
425.25397	4.1
430.27835	2.8
433.25839	7.9
437.25284	47.7
451.26944	6.9
469.27991	37.7
478.92062	2.6
606.55597	2.5
666.28308	7.0
666.40863	6.6
667.29144	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.9
55.05501	8.0
55.60958	1.1
57.03425	5.1
57.07073	6.2
61.02922	36.3
62.47604	1.3
62.57838	1.1
63.59174	1.2
67.05496	45.3
69.03416	5.1
69.07066	8.8
70.29555	5.9
71.04980	6.3
73.02908	10.4
75.04456	1.3
79.05486	47.6
81.03407	3.2
81.07047	50.8
83.04949	2.0
83.08625	6.1
85.02895	40.8
85.06529	7.9
91.03947	34.5
91.04541	1.2
91.05480	23.8
91.30598	1.2
93.07032	53.4
95.04958	5.2
95.08593	33.9
96.08901	1.1
97.02879	21.4
97.06507	6.2
97.10114	1.2
97.36298	1.1
99.04436	2.4
99.08086	5.8
105.07018	16.1
107.08585	32.1
109.02865	1.8
109.06500	2.8
109.10151	21.2
111.08061	4.4
113.09638	5.5
117.07006	10.9
119.08573	18.4
121.10135	41.6
123.08073	3.8
123.11695	14.9
125.09613	3.4
127.03896	12.6
129.06985	1.4
131.08553	23.5
133.10124	20.7
135.07980	2.1
135.11678	49.2
137.09599	3.9
137.13246	4.9
139.11133	2.8
145.04939	19.9
145.10106	20.6
147.11661	12.4
149.09625	3.9
149.13243	27.2
151.11119	3.7
159.11671	19.8
161.13252	3.8
163.06020	23.9
163.11145	3.2
163.14886	2.1
171.11707	1.4
173.13239	16.0
175.14787	2.7
177.12732	3.2
187.14842	4.9
192.14581	1.3
205.19467	9.4
215.17932	82.6
216.03020	1.2
221.15315	1.3
233.18979	100.0
235.20604	2.4
251.20132	2.8
307.22650	8.8
325.23724	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01862	2.4
55.05500	6.1
57.03434	10.8
57.07053	1.5
61.02911	1.4
61.24574	0.7
63.63816	0.7
67.05495	25.4
68.48265	0.8
69.03416	3.3
69.07053	6.8
69.51855	2.3
69.52262	5.6
71.01337	2.2
71.04971	2.6
72.08151	0.7
75.13621	0.8
75.88583	0.8
79.05481	20.9
81.03406	71.8
81.07040	14.7
83.04968	6.9
83.08616	2.8
85.02904	4.0
85.06533	1.7
91.05465	23.9
93.07031	26.6
95.04945	5.3
95.08612	6.5
96.08899	0.8
97.02876	2.7
97.06509	8.1
97.10158	4.1
103.03965	0.9
105.07008	5.2
107.04924	1.4
107.08577	17.2
109.02852	1.2
109.06522	3.1
109.10130	7.7
111.04482	1.2
111.08070	1.3
116.10738	0.8
117.07010	3.1
119.08566	18.2
121.06480	5.8
121.10142	4.7
123.08067	3.0
125.09614	2.1
129.07034	1.7
131.08521	2.4
133.10115	2.7
135.08069	3.0
135.11673	25.0
137.09595	17.7
145.10138	4.7
147.08031	4.9
149.09564	1.3
163.03822	0.9
163.11176	3.9
165.09091	14.4
175.11153	0.9
181.12190	4.0
183.10118	1.3
214.17932	1.0
221.11694	1.1
227.12813	1.1
239.12744	37.4
252.29890	1.2
255.15889	35.1
256.16196	1.1
267.15866	1.1
283.15344	0.9
375.21613	2.6
388.19711	0.9
393.22668	3.9
399.56818	1.0
401.23508	1.2
411.23767	2.0
419.24225	100.0
420.24524	1.8
437.25443	5.0
461.25470	1.0
469.27747	2.4
666.27991	9.1
666.39020	1.5
667.29010	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80473	2.0
53.03922	4.5
55.01857	2.2
55.05497	12.4
57.03419	9.7
57.07054	4.8
57.08333	1.9
61.02916	31.6
64.92770	2.2
67.05501	52.7
69.03419	6.5
69.07042	9.9
70.06592	2.4
70.16205	2.2
71.04974	6.2
71.64037	5.7
73.02908	11.9
78.96266	2.3
79.05483	49.7
79.60552	2.3
81.03411	6.1
81.07047	60.8
83.08583	8.2
85.02894	43.6
85.06525	8.4
91.03947	31.7
91.05466	22.3
93.07031	66.7
95.04944	7.8
95.08582	41.2
95.45876	2.3
97.02891	18.1
97.06494	6.0
97.10194	3.4
99.08073	5.6
105.07011	21.3
107.08570	40.9
109.06509	3.2
109.10152	26.5
111.08042	4.6
117.06998	9.8
119.08565	22.5
121.06458	3.2
121.10127	46.2
123.08031	4.2
123.11671	18.8
124.31414	2.4
127.03925	14.1
131.08559	26.9
132.11676	2.5
133.10129	25.4
135.11667	46.0
137.09558	4.1
137.13185	4.7
145.04964	16.9
145.10106	26.7
147.11690	17.1
149.13248	29.8
151.07506	2.5
151.11157	4.7
159.11671	21.7
161.13260	3.0
163.05995	24.0
163.11113	5.7
167.10663	3.4
173.13220	17.5
175.14816	3.9
177.12660	2.6
181.23619	2.7
187.14774	5.6
189.16304	3.1
193.12155	2.8
195.13579	2.9
205.19485	6.8
215.17935	79.2
218.62183	2.4
233.18983	100.0
251.20058	5.1
251.52982	2.4
307.22549	27.3
325.23724	45.8
469.27780	8.2
597.63135	2.5
666.41394	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.3
55.01859	3.3
55.05497	9.5
56.78753	0.8
57.03409	1.6
57.07054	2.0
58.46488	0.8
61.02932	1.7
65.03917	2.5
67.05492	26.2
69.03415	7.6
69.07050	17.6
69.18714	0.8
70.06591	1.6
71.04978	3.5
71.15341	0.8
71.74693	1.2
73.02907	2.1
79.05473	15.1
81.03402	6.7
81.07040	49.8
83.04951	2.4
83.08598	9.1
85.02886	18.3
85.06534	15.8
85.10161	1.6
87.00816	6.8
91.05461	21.6
93.07026	74.0
94.07367	1.1
95.04956	6.1
95.08585	53.4
97.02875	9.8
97.06496	1.6
97.10181	4.3
99.04431	2.1
103.05464	1.0
104.04408	0.9
105.01846	12.3
105.04489	1.1
105.07011	61.4
107.08575	48.6
109.02845	7.1
109.06489	3.3
109.10136	84.3
109.19540	0.8
111.08056	11.7
111.11741	1.4
117.07001	1.8
119.08559	51.3
121.10123	55.4
123.08038	1.4
123.11689	16.4
125.09613	4.9
127.03889	14.5
131.08566	2.4
133.10107	28.2
135.08023	0.8
135.11667	46.3
137.09590	2.3
137.13206	1.2
139.11143	2.1
145.04910	6.2
145.10129	4.2
147.11659	63.5
149.13222	2.7
150.62010	0.9
151.11131	1.7
159.02866	2.6
159.11618	1.9
160.12569	1.4
161.13242	22.4
163.11102	2.3
163.14810	3.1
165.09114	1.7
165.12656	5.6
175.14781	9.5
177.16327	1.3
179.03394	1.7
189.04030	0.9
201.16364	1.7
203.17918	100.0
204.18217	1.7
205.19447	1.2
213.03922	1.8
214.18039	0.9
215.17949	1.7
221.18965	9.1
231.05019	3.1
244.66612	1.0
249.06018	4.8
255.12210	1.2
451.23102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01869	3.6
55.05504	11.5
57.03430	18.0
59.05001	1.3
61.02930	5.6
65.03945	2.0
67.05497	36.4
69.03421	6.1
69.07059	8.5
69.62428	1.7
69.62852	3.2
71.01339	0.8
71.04994	5.4
73.02908	1.4
77.03928	0.9
79.05016	0.8
79.05485	23.8
81.03408	100.0
81.07043	25.6
82.03754	1.2
83.04970	16.4
83.08610	16.3
85.02895	35.8
85.06548	1.4
90.96576	0.7
91.03934	1.9
91.05470	86.3
91.80077	0.6
93.07034	33.1
93.43789	0.6
95.01353	0.9
95.04955	23.8
95.07987	1.5
95.08595	23.6
97.02884	6.7
97.06508	4.5
97.10136	3.4
99.04456	1.0
99.08097	1.4
103.03903	0.6
103.05466	1.6
105.04500	0.9
105.07019	20.9
107.04942	7.6
107.08578	7.2
108.86149	0.6
109.06498	4.4
109.10146	17.5
111.04449	2.5
111.08074	9.7
113.05986	2.6
115.05412	1.3
117.06986	5.9
119.08569	84.2
120.08896	0.8
121.06496	6.4
121.10120	9.5
123.08054	4.6
123.11647	1.2
125.09583	1.3
127.03889	0.9
129.06982	11.3
131.08536	7.9
133.06467	2.7
133.10123	8.8
135.08031	2.6
137.09601	38.6
138.09993	0.9
142.07758	2.4
145.04909	1.0
145.10112	2.4
147.08037	10.7
147.11679	11.3
149.09619	5.7
157.10117	10.9
163.11183	1.2
165.09105	31.1
165.12703	2.7
175.11162	13.2
183.10164	14.3
193.12219	37.9
211.13271	58.9
212.13539	0.9
221.11754	0.9
239.12752	29.1
240.13283	0.8
249.14861	0.9
257.13821	54.7
258.13965	0.9
267.15884	23.8
285.16925	50.7
286.17416	0.7
321.18524	0.7
329.21054	1.0
339.19507	4.5
357.20700	4.7
375.21448	1.4
405.22702	1.3
413.23090	1.3
431.24261	23.0
449.25333	30.0
467.26370	62.5
468.26346	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.01867	4.8
55.05507	13.0
57.03432	18.6
61.02913	4.5
65.03926	2.8
67.05498	44.2
67.53538	1.0
69.03426	5.1
69.07060	7.4
70.06605	1.3
70.80354	4.4
71.04992	6.4
74.09761	1.1
79.05486	38.6
81.03411	95.1
81.07049	28.4
83.04979	14.2
83.08610	17.4
85.02898	41.5
85.03292	0.7
85.06518	2.5
91.05471	82.4
92.05776	1.8
93.07035	43.6
95.04965	24.9
95.08599	31.3
97.02896	4.8
97.06528	6.2
97.10167	3.9
99.08076	1.4
103.05476	1.4
105.07021	22.5
107.04929	8.3
107.08581	6.7
109.06537	6.3
109.10139	15.6
111.04429	2.8
111.08071	8.5
113.05970	2.2
115.05458	1.4
117.07019	5.8
119.04898	1.3
119.08572	86.9
120.08860	1.1
121.06487	8.9
121.10130	13.3
122.06950	1.1
123.08067	8.1
123.11697	1.5
125.09625	2.8
128.06273	1.3
129.05478	1.9
129.06975	13.5
131.08557	9.2
133.06451	1.7
133.10118	8.4
135.08005	2.4
135.11629	1.6
137.05991	1.2
137.09605	40.0
142.07767	2.0
145.10121	3.3
147.08026	9.0
147.11678	12.0
149.09621	6.3
154.17361	1.2
157.10107	12.8
165.09097	35.1
165.12758	2.2
175.11200	13.5
183.10168	14.3
184.03493	1.1
193.12234	35.9
211.13277	47.6
215.06975	1.5
218.20874	1.1
227.12692	1.5
239.12775	27.4
241.14468	1.3
257.13815	50.8
267.15894	27.2
269.70911	1.2
285.16925	42.1
286.17416	1.8
323.32556	1.1
329.21078	1.7
339.19373	3.8
357.20642	7.3
375.21588	2.9
431.24249	30.6
449.25336	45.8
450.25760	1.8
467.26401	100.0
468.26605	1.7
611.30310	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74325	0.4
53.03935	1.0
55.01863	0.6
55.05504	0.7
57.03420	0.9
67.05497	5.4
69.03426	0.7
69.07040	0.9
70.06577	1.0
70.32716	1.3
70.33125	1.0
70.35414	0.5
71.04975	0.7
71.23038	0.5
72.68286	0.4
79.05506	2.9
81.03410	4.0
81.07041	2.4
83.04972	1.3
83.08606	0.8
84.08134	0.6
85.02904	1.4
91.05470	6.2
92.17371	0.5
93.07024	2.9
94.06573	3.0
95.04966	2.4
95.08603	1.4
97.06529	1.2
105.07044	1.3
107.04967	0.6
107.08580	1.5
108.08116	2.0
109.06509	1.3
109.10119	1.0
110.06036	3.4
111.06824	1.1
115.05450	0.6
117.07065	1.1
119.08572	3.3
121.06505	0.9
121.10134	0.9
122.06018	6.4
123.06805	1.8
123.08035	0.6
124.07584	2.1
125.02312	0.7
129.06955	0.9
131.08580	0.7
133.10100	0.6
135.08061	1.6
136.07565	16.6
137.05951	0.9
137.09625	1.7
138.09129	1.8
144.08052	1.1
145.10069	0.9
147.08049	0.9
154.08620	15.2
157.07635	0.7
157.10172	0.8
159.05531	0.5
160.07611	0.5
163.03908	1.3
163.11168	1.0
165.09077	0.7
171.09148	2.3
174.09018	1.1
185.07098	1.6
186.07800	0.6
187.08670	0.8
193.12209	1.4
197.07068	1.2
199.08643	4.0
201.10286	1.0
202.12369	0.6
211.08722	0.6
211.13266	0.9
213.06543	2.8
214.07288	2.3
215.08134	5.6
225.06572	1.5
225.10243	0.7
227.08125	13.0
228.08778	1.1
229.06096	2.0
229.09680	1.7
230.06822	1.0
239.08156	1.4
239.12759	1.4
241.06064	3.7
241.09727	1.0
242.06860	1.6
242.11699	0.6
243.07651	9.4
244.08214	0.8
251.08322	0.7
251.11887	0.8
253.06137	1.4
255.07614	6.9
255.12140	1.2
257.05536	0.7
257.09235	2.1
257.13834	1.0
259.07117	2.8
260.07956	2.2
265.06049	4.1
267.07684	1.3
267.16025	0.5
269.09174	0.9
271.07111	13.5
272.07645	0.8
273.08661	11.5
274.08960	0.7
281.09293	0.8
283.07101	6.1
283.14529	0.7
284.07736	0.5
285.17010	0.7
287.05646	1.0
287.10266	0.9
289.08115	0.7
297.08679	4.7
299.06647	0.9
299.10251	0.9
301.08212	5.8
302.08884	5.5
303.09637	4.3
309.14627	0.6
313.08170	14.6
315.09714	27.3
316.10022	2.3
317.11401	1.1
332.14005	1.0
334.11810	0.6
338.15125	0.5
340.16602	1.1
350.14975	1.5
365.13757	0.7
376.13031	0.8
378.14386	6.0
380.16223	0.6
392.16428	0.6
396.15414	1.0
406.13504	2.3
408.15808	1.1
418.13928	0.6
424.14972	1.2
436.14917	0.6
438.16620	4.9
439.19745	0.5
450.16620	0.9
465.25031	1.0
466.25330	1.9
467.26572	1.6
468.17584	4.0
510.19055	0.8
575.02881	0.5
591.24109	1.7
595.22076	0.6
631.24255	2.4
663.26520	100.0
664.26831	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.9
55.01862	6.9
55.05501	9.0
57.03430	12.5
59.04981	1.4
60.20652	0.7
61.02915	5.2
67.05495	18.2
69.03412	4.2
69.07065	4.2
71.04976	3.0
73.02909	1.8
77.03912	0.7
79.05481	35.6
81.03404	42.0
81.06598	1.2
81.07043	15.6
83.01337	4.1
83.04974	9.3
83.08150	1.3
83.08604	13.6
85.02895	17.7
85.06519	1.1
91.03928	2.5
91.05465	61.4
92.05754	0.8
93.07030	27.5
95.04955	13.8
95.08579	7.4
97.02877	5.4
97.06535	3.8
97.10142	2.2
98.82839	0.8
99.04423	1.9
105.07009	15.9
106.69523	0.8
107.04929	8.9
107.08571	21.2
107.19856	0.8
109.06517	6.0
109.10147	4.3
111.04426	3.0
111.08057	7.1
113.06039	1.6
115.05444	4.5
117.07000	33.3
119.08567	19.1
121.06493	1.4
121.10127	4.5
123.08043	2.2
123.11710	1.0
125.09613	1.8
129.06984	6.0
131.08553	5.5
133.06432	2.1
133.10115	6.5
135.08028	39.5
135.11639	1.3
136.08543	0.9
137.09583	4.6
142.07727	1.5
145.06461	1.9
145.10059	2.6
147.08005	1.9
147.11658	7.8
149.09613	3.1
153.09076	1.9
157.10129	7.2
163.06142	1.3
163.07486	7.7
163.11145	3.2
165.09087	2.8
165.12737	1.7
173.09526	0.9
175.11147	7.5
181.08575	3.0
183.10156	0.9
193.12212	22.9
199.09634	3.1
211.13269	44.9
212.13669	1.1
227.12770	1.1
239.12724	3.2
255.12238	66.7
256.12573	2.1
257.13858	5.7
267.15881	10.2
283.15332	7.6
285.16922	34.7
286.17261	1.0
331.77509	0.8
355.18893	3.4
373.19855	1.8
429.22699	4.5
447.17883	1.5
447.23703	16.8
465.24799	100.0
466.25177	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72174	1.0
53.03928	2.7
55.01871	5.7
55.05504	8.2
57.03429	13.8
61.02902	3.8
65.03922	2.0
67.05499	29.1
69.03412	4.1
69.07061	6.2
69.69769	7.9
70.45247	1.0
71.01299	0.9
71.04979	3.9
73.02901	2.0
79.05018	1.2
79.05483	29.3
81.03407	44.3
81.06590	1.6
81.07043	19.9
83.01324	1.2
83.04969	8.8
83.08617	9.9
85.02387	1.0
85.02892	16.5
91.03925	1.6
91.05470	68.0
93.07034	50.3
95.04956	11.2
95.08595	43.0
97.02897	7.5
97.06518	5.4
97.10143	1.5
99.04436	3.7
105.07018	13.7
107.04943	8.5
107.08578	23.8
109.06488	4.2
109.10142	13.6
111.04455	2.8
111.08065	2.3
117.07013	16.3
119.08572	75.4
120.08887	1.7
121.06502	7.6
121.10122	13.6
123.08048	3.5
125.05967	1.9
125.09597	1.7
128.06232	1.1
129.05504	1.3
129.06996	4.0
131.08514	2.3
133.10110	3.9
135.08047	13.5
135.11681	36.4
137.09604	29.4
139.07503	2.6
143.08585	1.1
145.10098	22.1
147.08032	7.4
147.11668	2.5
153.08990	1.4
153.12730	1.4
157.10130	1.9
158.13866	0.9
163.03831	1.1
163.07523	2.5
163.11169	50.7
165.09117	24.7
165.10413	0.7
170.77632	1.0
172.78195	1.0
173.09598	2.2
175.11163	1.2
181.12219	8.7
183.10165	11.2
191.10696	1.2
193.12219	5.8
199.09637	2.9
209.11717	2.6
211.13316	8.7
227.12758	66.7
228.13103	1.1
239.12767	48.1
250.06451	1.0
255.12265	15.1
257.13821	72.3
267.15796	3.1
283.15384	64.4
284.15598	1.3
285.16943	10.0
355.18942	1.6
429.22629	2.1
429.49225	1.0
447.23727	42.1
454.89664	1.1
465.24811	100.0
466.25131	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.6
53.03935	16.2
54.89762	2.1
55.01862	11.3
55.05506	36.5
57.03432	15.5
57.07042	5.0
59.04982	3.8
61.02908	6.7
61.70146	2.2
65.03928	6.8
65.67885	2.3
67.05495	98.5
69.03423	26.9
69.07065	37.7
71.04979	16.6
71.21317	5.7
73.02904	5.3
75.04443	5.4
77.03873	3.4
79.05483	94.8
79.92097	2.3
81.03410	100.0
81.07045	91.1
81.07418	1.3
81.07533	3.1
83.04976	17.1
83.08601	21.1
85.02897	14.9
85.03326	2.6
85.06524	6.7
87.04480	2.8
90.84133	2.2
91.03939	5.1
91.05470	90.3
93.07034	90.6
95.04961	40.9
95.08596	54.0
97.02881	29.7
97.06504	9.2
97.10150	7.8
99.04436	9.2
99.08080	4.0
101.02374	2.7
103.03940	3.8
103.05461	5.4
105.07018	69.9
107.04925	10.3
107.08584	41.2
109.02870	11.6
109.06485	8.6
109.10144	18.1
111.04420	9.0
111.08048	4.7
115.05432	7.5
117.07010	35.4
119.08570	58.0
121.06515	13.3
121.10127	42.1
123.04421	16.8
123.08034	7.1
123.11702	7.2
125.09591	6.4
127.03935	12.1
127.07491	2.3
128.06213	6.5
129.05478	5.3
129.06970	22.2
130.07779	4.3
131.04903	5.2
131.07629	3.7
131.08549	42.2
133.06514	4.7
133.10115	38.6
135.04424	3.4
135.08037	9.3
135.11668	22.5
137.09567	14.7
141.06982	10.2
142.07722	5.5
143.08559	24.2
145.06465	5.3
145.10078	34.4
147.04376	6.5
147.08011	7.8
147.11652	36.0
149.05963	3.3
149.09599	7.9
149.13232	11.3
151.11172	5.6
153.07025	3.5
154.07718	2.4
155.08571	16.7
157.06480	6.5
157.10126	26.0
159.08084	4.1
159.11691	23.6
161.05939	6.4
161.09569	8.9
161.13239	8.0
163.03867	27.1
163.11179	11.0
165.05452	3.0
165.06924	3.9
165.09067	4.8
165.12720	8.8
167.08539	6.9
169.08842	2.7
169.10092	15.5
171.07930	3.0
171.10303	3.4
171.11674	23.3
173.02299	7.9
173.04427	11.3
173.05807	4.7
173.09563	5.1
173.13269	12.3
175.11160	6.6
177.12794	5.5
178.07799	2.4
179.08479	3.5
181.06476	2.6
181.10071	13.4
183.11693	15.7
185.09668	3.8
185.13298	14.5
187.03918	3.5
187.07494	3.4
187.11159	4.7
187.14755	6.8
189.05447	4.5
189.12735	6.9
193.10121	10.5
193.12190	4.9
195.08093	2.6
195.11639	8.7
195.13524	3.1
197.05978	2.6
197.09445	4.4
197.13258	9.2
199.03816	6.1
199.11078	3.9
199.14801	6.0
201.12767	2.5
203.17857	3.9
207.11653	6.5
207.13655	2.7
209.09589	4.8
209.13197	9.7
211.11145	4.8
211.14796	6.2
213.05450	4.3
213.12808	3.0
213.16397	12.8
215.10786	2.9
215.17908	8.4
217.12187	3.7
221.13255	3.4
223.11241	3.0
223.14836	4.9
225.12601	3.4
225.16231	2.6
231.17389	13.4
233.18941	8.6
235.11148	3.5
235.13263	10.1
239.10617	29.9
239.14464	3.6
241.15929	3.4
243.17332	3.4
257.19052	2.5
261.22116	2.9
267.15866	7.5
269.17398	6.9
273.14905	5.7
273.18481	3.8
275.20108	2.6
282.60660	2.5
283.13101	7.5
290.37006	3.0
295.20584	3.5
301.14371	7.0
305.21030	4.5
307.22717	16.1
313.21045	2.5
317.21069	2.9
319.15457	4.8
323.19925	2.7
327.12311	25.2
329.13828	2.8
345.13571	2.8
389.28284	4.9
407.29330	14.8
424.13568	3.3
425.30521	4.7
443.31430	3.3
467.63614	2.4
481.33185	4.7
495.19049	3.6
497.31030	4.2
499.26901	3.6
499.34192	61.6
500.34534	3.2
514.17163	4.0
517.34894	7.8
523.18274	7.0
541.34711	5.9
555.20251	3.6
569.32526	6.2
583.20441	18.3
584.20630	3.8
587.33508	9.6
601.21222	5.2
607.35944	6.5
615.22644	6.8
625.37006	8.7
633.37610	5.6
643.22473	32.5
643.38239	12.6
644.22949	5.3
661.23541	8.8
661.38196	74.4
662.38776	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.1
55.01858	7.4
55.05505	30.2
57.03433	11.0
57.07072	4.5
59.04948	2.0
61.02910	5.0
65.03924	5.3
67.05499	86.6
69.03423	16.9
69.07060	31.0
71.01336	3.3
71.04986	11.2
71.75929	3.5
73.02901	3.6
75.04463	4.3
77.03923	2.7
79.05485	78.4
81.02927	4.7
81.03411	89.1
81.07047	78.2
81.07529	2.5
82.07385	2.5
83.04983	15.0
83.08625	11.9
85.02892	10.5
85.06514	7.7
87.74427	1.9
89.06031	1.9
91.03958	2.3
91.05470	82.2
93.07034	100.0
95.04963	32.7
95.08601	64.1
97.02877	22.2
97.06536	8.6
97.10172	6.4
98.17317	2.1
99.04462	5.6
99.08074	2.9
101.02377	2.3
103.03944	2.5
103.05446	6.1
105.04488	2.8
105.07018	57.9
107.04954	10.7
107.08586	39.3
109.02869	8.8
109.06522	9.0
109.10154	18.3
111.04438	6.5
111.08085	5.6
115.05451	9.1
117.07001	25.7
119.08567	53.8
119.09402	3.5
121.06502	11.8
121.10139	37.1
123.04398	11.1
123.08066	8.2
123.11698	7.4
125.09650	7.3
127.03878	11.4
128.06201	6.0
129.05475	6.6
129.06989	24.2
130.07805	2.7
131.04912	6.8
131.08553	34.1
131.09450	3.5
133.02844	3.1
133.06485	3.5
133.10103	32.0
135.04436	5.2
135.08060	8.4
135.11684	19.1
137.05994	3.8
137.09590	18.6
139.11172	2.7
141.06995	7.6
142.07736	3.2
143.08563	19.6
144.09282	2.6
145.06485	8.5
145.10124	33.9
147.04384	7.6
147.08035	12.2
147.11664	32.4
148.08907	3.7
149.06026	3.4
149.09631	12.5
149.13266	9.6
151.07538	2.5
151.11166	3.1
153.09113	2.8
154.07762	4.1
155.08519	11.6
157.06509	4.0
157.10104	19.9
159.04405	7.6
159.08087	4.9
159.11659	22.1
161.02310	5.4
161.06017	5.3
161.09642	4.8
161.13229	9.8
163.03896	43.1
163.11246	8.3
165.05513	3.0
165.06981	3.2
165.09070	15.6
165.12724	6.0
166.07770	2.5
167.08589	7.1
167.10716	4.1
169.06487	3.1
169.10112	17.0
171.08031	3.1
171.11676	18.6
173.02350	19.1
173.04456	8.1
173.06013	6.6
173.09656	7.2
173.13269	10.6
175.03860	2.7
175.11162	7.0
175.14815	3.5
177.12737	5.2
179.08601	3.0
181.10178	7.3
181.12144	2.5
182.10957	2.7
183.08026	3.5
183.10234	3.7
183.11703	11.3
185.06104	3.2
185.09631	4.4
185.13292	7.5
187.03951	17.9
187.07587	2.8
187.11232	3.3
187.14833	6.6
189.05487	5.6
189.12730	4.1
189.16422	3.9
193.10158	5.1
193.12338	4.9
195.08052	4.1
195.11769	6.6
197.05983	4.7
197.09634	3.8
197.13287	9.4
199.03943	11.8
199.07562	2.7
199.11182	4.4
199.14865	4.9
201.05458	6.4
201.12669	3.1
203.08693	2.2
207.11868	4.0
207.13757	3.6
209.13298	4.8
211.07574	4.8
211.11317	3.4
211.13231	5.3
211.14934	5.2
213.05432	6.4
213.09128	2.8
213.16374	9.8
215.17938	8.7
217.12117	2.2
219.11777	3.6
221.09749	4.8
221.13289	4.4
223.14839	4.7
225.12715	4.1
227.14383	2.9
231.13834	2.8
231.17502	12.2
233.18962	5.9
235.11200	4.0
235.13310	7.1
237.09125	3.1
237.16524	2.9
239.07153	3.1
239.10709	8.1
241.12384	2.8
243.17563	2.5
247.17081	2.5
249.18562	2.7
255.10202	5.7
255.14066	3.6
255.17256	3.2
259.13354	5.0
261.22098	7.1
262.09918	2.1
265.08630	4.3
265.19662	2.4
267.15939	7.8
269.17477	3.7
273.14859	4.5
273.18552	4.5
277.21866	2.7
281.19293	2.0
283.09634	9.6
283.13196	3.8
283.16879	2.3
285.17090	2.3
291.10220	3.1
301.14349	6.0
305.21075	4.9
307.22629	11.1
309.11301	11.4
311.19919	2.8
317.24844	3.0
323.20084	2.6
323.23801	2.4
327.12329	9.7
328.12814	2.4
329.14044	3.1
337.14117	3.7
339.99835	2.2
345.13382	28.3
347.15009	5.4
365.71228	2.3
375.18185	4.5
389.28354	5.8
401.15790	3.0
405.27661	2.2
407.29587	11.4
411.20078	3.1
413.21475	3.8
425.30344	3.7
473.32330	2.6
481.33426	5.0
499.34167	54.8
500.34338	5.1
511.17413	2.2
517.35303	6.1
541.35083	6.0
551.32092	4.4
569.32855	9.8
583.36121	3.2
587.33252	12.7
605.34711	9.5
607.36096	7.0
625.37006	6.3
633.37878	11.4
643.36353	16.2
657.59509	2.6
661.37885	98.2
662.38214	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.8
53.03942	12.1
55.01855	6.7
55.05229	1.6
55.05502	31.4
57.03431	11.4
57.07063	3.4
61.02925	1.5
65.03922	5.2
67.05132	3.4
67.05496	69.7
69.03418	35.1
69.07062	19.0
71.04984	11.0
71.08614	1.5
72.58430	1.4
73.02901	1.2
75.04478	1.5
77.03921	2.2
79.05482	88.1
79.96225	1.2
81.03408	100.0
81.07046	73.1
83.04967	20.9
83.08610	23.4
85.02896	15.6
85.06527	4.3
87.04429	1.5
89.06028	6.1
91.05470	72.2
93.07030	81.2
95.04953	36.8
95.08591	41.8
97.02874	21.7
97.06546	10.1
97.10163	6.1
99.04449	4.8
99.08076	5.3
101.02371	1.4
103.03905	1.8
103.05442	3.2
105.04488	2.0
105.07018	50.2
107.04949	12.3
107.08572	23.4
109.02867	15.1
109.06505	9.1
109.10143	17.6
111.04431	12.5
111.08071	11.4
113.06001	1.7
115.05441	3.7
116.06234	2.0
117.06998	18.7
119.04900	2.0
119.08558	35.3
121.06485	4.8
121.10129	43.3
121.54713	1.3
123.04406	4.3
123.08048	7.1
123.11699	5.4
125.05952	1.6
125.09633	4.6
127.03916	10.3
128.06194	3.5
129.05464	4.0
129.06973	19.4
131.04930	1.8
131.08545	30.2
133.06502	6.3
133.08594	2.2
133.10101	23.0
135.04399	1.7
135.08031	9.5
135.11679	14.9
137.05991	2.7
137.09586	7.8
141.06992	3.3
142.07777	2.6
143.08533	11.0
145.06471	4.3
145.10124	19.0
145.74936	1.4
147.04367	1.5
147.08051	5.3
147.11667	25.2
149.05936	1.8
149.09595	11.0
149.13258	5.0
151.07478	2.5
151.11211	2.1
153.06953	1.7
153.09052	1.8
153.12721	3.9
154.07903	1.6
155.08548	3.8
157.06471	2.3
157.10118	17.6
159.08044	3.1
159.11667	12.6
161.05946	3.3
161.09633	5.1
161.13220	3.2
163.03938	5.1
163.07460	1.8
163.11188	4.9
165.09113	3.6
165.12712	7.2
166.07655	1.4
167.08501	2.2
169.08752	1.4
169.10130	5.4
171.08099	3.2
171.11697	8.7
173.02310	2.6
173.04459	5.8
173.05865	1.7
173.09628	3.2
173.13194	7.4
175.11186	14.1
177.12755	1.6
181.10121	3.7
181.12262	4.6
183.10194	1.7
183.11684	4.6
185.09549	1.9
185.13304	4.6
187.03880	3.0
187.11197	2.2
187.14763	2.6
189.12758	2.8
191.10692	4.3
193.10338	3.1
193.12215	49.6
195.11702	3.0
197.13213	3.3
199.04037	2.2
199.11218	3.0
199.14764	1.9
201.12767	3.3
205.12234	1.9
209.13199	3.4
211.13258	66.2
213.05505	1.6
213.12761	3.1
213.16414	2.0
215.17996	6.6
217.12131	1.6
221.15451	2.2
223.14919	2.1
227.12804	6.2
229.12386	1.9
231.17444	3.7
233.19032	4.6
239.10745	3.7
249.16585	1.8
255.17432	1.6
267.15887	6.9
273.14886	2.6
273.18448	2.1
277.14941	1.2
285.16794	8.2
291.19595	2.2
295.20865	1.3
299.20016	2.0
301.14502	2.1
307.22607	15.5
319.15710	1.5
323.20114	4.2
327.12244	2.2
335.26025	2.9
337.16418	3.7
341.21097	6.7
345.13251	3.6
347.22458	2.2
355.17657	9.8
359.22156	4.1
375.17850	1.9
377.23141	2.2
407.29453	3.1
411.19983	4.6
415.24820	3.3
417.98703	1.5
433.25653	2.9
443.32001	1.8
499.34302	12.4
517.35248	9.6
541.34399	1.5
587.33685	3.9
605.34857	1.7
625.37091	4.6
643.37897	6.7
661.16931	6.0
661.39136	72.4
662.16705	1.6
662.38904	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	11.7
55.01851	9.4
55.05508	20.9
57.03415	18.6
57.07055	4.8
65.03921	5.5
67.05496	99.6
69.03425	29.1
69.07063	26.8
71.04984	7.7
71.75319	4.9
75.04469	4.3
77.03860	3.1
79.05482	72.2
81.03409	87.5
81.07041	81.7
83.04952	10.2
83.08595	13.8
85.02891	22.0
85.06546	5.0
91.04916	5.4
91.05466	100.0
92.55276	3.1
93.07034	81.6
95.04951	29.1
95.08591	53.8
96.23750	2.8
97.02888	19.5
97.06486	9.0
97.10130	4.9
99.04443	8.7
103.05485	3.6
105.07017	45.1
107.04932	13.8
107.08581	38.5
109.02847	18.1
109.06498	10.6
109.10141	41.4
111.04436	6.6
111.08069	6.9
117.07004	21.1
119.08562	94.9
121.06466	13.9
121.10136	30.7
123.04401	7.9
123.08067	7.6
123.11695	4.1
125.09586	4.5
127.03828	6.8
129.07002	14.7
131.04976	4.1
131.08557	24.8
133.10103	25.8
135.08031	11.3
135.11656	17.3
137.06038	3.7
137.09601	43.5
141.06963	4.9
142.07793	3.3
143.08508	9.8
145.06487	5.5
145.10101	21.9
147.08029	12.3
147.11641	16.7
149.09610	8.9
149.13289	7.4
153.09027	6.8
155.08496	4.8
157.10133	10.5
159.08098	3.8
159.11661	10.8
161.09593	9.5
161.13266	7.3
163.11226	5.9
163.14825	4.1
165.09065	30.7
167.10667	4.8
169.10103	7.2
171.11710	9.7
173.02289	3.4
173.04382	4.0
173.09601	4.6
173.13232	7.7
175.11105	4.2
175.14816	4.0
179.14346	3.7
181.10107	4.9
181.12016	3.0
183.10130	20.9
183.11638	8.6
185.13202	6.7
193.12209	5.4
195.11780	3.9
197.09663	3.6
199.11142	5.6
209.13216	5.1
215.14008	3.8
239.12756	14.1
243.21240	3.7
251.16321	5.6
257.13724	4.1
261.22055	4.6
275.19849	3.9
291.19473	4.4
293.21072	5.1
307.22867	5.1
315.23032	3.4
327.23456	4.0
335.25635	14.7
351.23111	6.4
369.24200	6.9
387.25037	7.0
461.28802	5.2
499.33884	9.4
517.35168	4.7
533.47632	3.4
625.36737	7.9
643.37683	9.0
661.27148	4.8
661.39142	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01860	4.5
55.05505	17.2
57.03156	1.7
57.03432	27.2
57.07063	4.2
61.02922	85.1
65.03928	2.9
67.05499	53.4
69.03423	34.2
69.07063	23.1
70.57882	3.2
71.01337	4.0
71.04983	6.3
71.08617	2.1
73.02510	1.7
73.02908	29.0
75.04465	3.6
79.05487	27.1
80.77057	1.0
81.03412	36.7
81.07049	60.0
82.95805	0.9
83.01319	2.3
83.04984	8.2
83.08157	1.3
83.08617	15.9
85.02899	100.0
85.06528	3.0
85.10164	1.0
85.44376	1.0
87.04451	3.8
91.03947	56.0
91.05470	20.7
91.20186	1.0
93.07040	27.5
95.04958	8.0
95.08597	44.3
97.02882	84.3
97.06524	6.3
97.10139	5.7
99.04441	15.7
99.08062	2.6
101.02378	8.3
103.03938	9.2
105.07020	17.0
107.04970	2.4
107.07906	1.1
107.08591	14.2
108.96323	0.9
109.02862	15.9
109.06506	3.5
109.10142	20.1
111.04421	4.4
111.08088	2.3
111.11726	1.0
115.03939	6.6
117.05447	2.3
117.06988	7.7
119.08562	15.5
121.06482	2.0
121.10126	14.9
123.04395	1.8
123.08033	2.6
123.11713	9.7
125.09604	2.9
127.03901	37.2
128.06149	1.7
129.05452	6.7
129.06985	3.6
131.08560	8.3
133.06531	1.0
133.10126	11.7
135.07990	1.2
135.11696	11.0
137.05998	1.4
137.09579	3.3
137.13249	3.6
138.71481	1.0
139.11189	1.6
141.06953	1.6
143.07024	1.1
143.08553	5.2
145.04958	23.9
145.10107	6.5
147.08031	1.1
147.11691	9.5
149.05934	1.4
149.09555	1.3
149.13281	6.3
151.14780	3.2
152.31258	1.1
155.07057	2.2
155.08496	2.7
157.10094	3.5
158.42194	1.0
159.06645	2.0
159.08008	1.6
159.11690	4.9
161.09634	1.4
161.13242	4.9
163.06021	5.4
163.11183	2.3
163.14815	4.5
165.05559	1.0
165.12778	1.7
165.16376	3.0
166.67268	1.1
167.10643	1.3
169.10068	2.4
171.06512	2.4
171.07919	1.1
171.11671	3.2
173.04382	1.6
173.13271	4.1
175.11234	1.2
175.14832	5.3
177.12782	1.3
177.16469	1.2
181.10101	1.3
183.06548	8.6
183.11725	2.4
185.13232	2.5
187.14810	1.3
189.12621	1.0
189.16393	2.2
193.12231	1.9
195.11732	1.4
197.13229	1.6
199.14742	1.1
201.07526	8.7
201.12708	1.5
209.13245	1.3
211.14816	1.5
213.16431	1.2
215.17957	1.1
227.14391	1.1
233.15439	1.2
233.18916	1.7
245.22618	8.7
255.17593	1.2
261.22101	3.2
263.23654	15.8
271.74982	1.0
275.23544	1.0
297.39944	1.0
303.23160	1.0
305.24646	2.2
307.22568	2.4
311.23911	1.0
319.26462	1.1
329.24731	1.3
335.25912	1.5
337.27341	82.8
338.27744	1.2
353.24652	2.6
365.26773	3.6
371.25729	3.0
379.28436	2.4
407.28998	1.4
445.29337	3.8
463.30542	2.3
481.31711	8.8
499.33698	9.8
524.86633	1.1
607.36298	1.1
643.37775	1.2
661.37775	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	0.4
54.00071	0.4
59.01945	0.4
67.05421	1.6
67.05759	0.6
69.73381	2.1
69.73812	1.7
70.06500	1.5
71.04912	0.7
72.08076	1.0
81.03349	0.9
81.06966	1.1
84.04429	0.5
84.08051	0.9
85.02843	1.0
86.09614	0.8
91.05375	1.4
92.98479	0.5
93.06920	1.8
94.06483	1.4
95.04906	1.2
95.08533	0.7
96.08034	0.9
97.02808	0.4
97.06459	0.7
98.41179	0.6
108.08008	1.7
109.10068	0.9
110.09621	0.8
111.07953	0.5
120.07971	1.5
122.06027	2.6
122.09567	1.3
124.07470	1.5
128.59877	0.5
136.07562	18.6
137.09488	1.1
138.09027	1.8
150.09018	1.0
152.32253	0.5
163.03836	0.5
165.08994	0.9
174.08989	0.8
175.04953	1.2
188.10580	0.7
198.07777	1.2
199.08646	2.5
200.10678	0.7
201.06459	0.8
202.12086	1.2
211.08675	5.1
212.09326	0.7
213.06502	0.6
213.10107	1.4
216.13824	0.5
225.06395	1.2
226.07271	1.4
227.06117	0.7
227.08131	9.3
227.11655	0.9
229.06078	0.6
235.06883	0.6
239.08125	41.5
240.08493	2.2
241.09683	3.3
242.11667	1.3
253.06070	1.1
253.09598	1.4
254.06763	1.3
255.07611	3.5
255.11320	0.9
265.09763	0.5
267.04944	0.7
267.07626	10.4
267.11096	1.4
268.07919	0.8
269.09045	1.6
269.12219	0.9
271.10797	0.6
279.11240	0.7
281.09219	0.6
283.10614	1.0
285.08676	1.7
286.09302	1.8
287.10257	5.7
289.13217	0.5
291.14746	0.7
293.16431	0.6
295.10800	0.7
299.10233	35.8
300.10553	1.8
301.11758	1.2
304.12070	0.6
311.10092	0.6
313.11707	1.3
317.06644	4.5
317.12515	2.3
319.14365	4.3
321.15869	0.7
334.15387	1.6
336.16940	1.3
341.11221	0.8
345.12296	0.8
347.12646	0.8
362.14923	12.1
363.15439	0.6
364.16434	2.1
373.15164	1.5
390.14093	3.3
392.15717	0.6
401.14893	0.9
416.15979	1.3
418.17514	2.1
422.16998	2.4
431.16898	0.5
433.17404	0.7
434.17139	1.9
436.18622	7.9
442.19107	0.7
444.15561	1.2
450.20361	0.7
458.16147	0.6
462.17014	0.6
464.18387	1.3
476.18085	3.9
479.13434	0.8
494.19174	100.0
495.19431	4.5
496.20721	16.7
497.20959	0.9
615.27881	0.8
629.25629	1.1
633.29126	19.8
634.29260	1.5
661.28601	21.1
662.29059	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73928	0.4
53.03939	0.5
65.78866	0.4
67.01850	0.5
67.05492	1.9
69.07034	0.6
69.70896	3.1
73.83045	0.4
74.46000	0.4
79.05490	1.0
80.05035	0.4
81.07018	0.7
91.05451	2.3
93.05804	0.7
93.07035	3.3
94.06557	2.7
95.04932	1.5
95.07327	0.5
96.08118	2.4
107.07310	1.0
108.08115	2.9
110.09662	3.6
116.84983	0.4
120.08087	4.0
121.08870	0.7
122.06023	6.0
122.09647	8.3
124.07557	1.2
126.05485	0.8
129.06995	0.5
130.06487	0.5
131.07263	0.7
134.87943	0.4
136.07555	35.4
137.07912	0.7
138.09120	14.7
139.09364	0.5
140.10677	12.4
140.11763	0.6
144.08017	0.8
146.09634	1.9
147.05502	0.6
148.07542	0.4
149.07063	0.5
150.09184	2.1
158.09630	0.9
160.11079	0.5
166.08524	0.7
168.10197	0.7
169.67760	0.4
170.05954	0.4
171.09158	0.8
172.07585	0.6
172.11288	0.6
173.07054	0.7
174.09135	4.9
174.12796	0.6
175.05042	3.5
176.10648	1.2
177.06638	1.0
183.09132	0.6
186.09172	0.8
187.08620	0.8
188.10693	1.0
192.10182	1.3
196.09715	0.8
198.07889	1.6
198.12874	0.5
199.08586	3.7
200.10738	1.1
201.06606	1.3
202.12268	4.4
203.04503	1.7
203.08168	0.9
211.08617	6.7
213.06531	1.0
213.10135	2.0
214.12288	1.6
215.08189	1.3
216.10344	0.6
216.13808	5.8
220.09631	2.1
224.10762	0.9
225.06581	2.5
225.10257	1.1
226.07133	2.6
226.12280	1.1
227.08110	15.2
227.11604	0.7
228.10164	1.2
229.06081	2.0
235.07043	0.9
238.08510	0.6
239.08115	41.7
240.08301	1.9
241.09546	3.1
241.13234	0.5
242.11823	4.2
243.11191	0.6
243.15109	0.7
250.08736	1.2
251.08046	0.7
253.06171	1.3
253.09674	2.5
254.06850	3.4
255.07611	5.0
255.11378	1.0
261.08606	0.9
265.09653	1.6
267.07620	13.9
267.11191	2.2
268.08099	0.9
269.09158	1.5
269.12836	1.4
279.11234	0.5
281.09195	1.5
281.12491	0.5
285.08780	2.0
285.12180	0.5
286.09354	2.7
287.10156	7.8
287.13354	0.6
295.10715	1.5
296.09167	0.5
297.12268	1.2
299.10217	33.1
300.10678	1.8
301.11777	1.7
311.10129	0.5
313.11755	1.7
315.13464	1.4
316.14359	0.8
317.12830	0.6
319.13837	0.9
327.13605	0.5
329.12128	0.5
334.15445	1.0
339.09924	0.5
341.11224	1.3
343.13644	0.6
344.13965	1.1
345.12180	0.9
345.16003	1.0
346.15607	0.6
347.12793	0.7
348.17264	0.6
355.13315	0.5
356.11737	0.6
357.15857	0.6
362.14908	6.8
364.16583	1.1
366.18076	1.4
371.13718	0.6
372.13257	0.7
373.15488	3.5
383.13876	0.6
388.16656	1.3
390.14417	3.5
390.17688	0.6
392.15674	1.0
392.20035	0.7
398.15195	0.7
399.13428	1.5
400.16626	1.8
401.14636	2.0
402.18292	1.0
410.16962	1.2
416.16000	3.1
418.17676	5.1
420.19257	1.0
422.16861	3.5
424.18542	0.9
433.17691	1.2
434.17093	1.4
436.18750	1.9
442.19675	7.2
443.20053	0.6
444.15536	4.2
446.17075	2.2
448.18439	0.5
450.20078	2.3
462.16470	1.9
464.17953	3.6
476.18146	13.9
477.17938	1.3
478.19614	1.5
494.19159	100.0
495.19547	7.5
496.20728	31.4
497.20764	1.9
539.26526	1.0
557.27374	1.0
567.25824	0.7
583.25378	1.7
585.26971	1.5
601.26520	2.1
611.24683	2.4
615.28070	3.7
629.25751	4.7
633.29126	12.0
634.29352	1.9
643.28174	2.0
644.28436	0.6
661.28735	7.7
662.28601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77072	1.2
58.06267	1.2
62.66058	1.1
65.03923	2.2
67.05478	3.7
68.28355	1.1
69.55189	10.6
79.05469	4.7
80.04961	1.5
81.03381	2.1
81.07047	1.7
82.06583	1.4
84.40971	1.4
91.05457	5.3
93.05775	3.3
93.07021	6.7
94.06561	9.1
95.04961	1.5
95.07338	3.8
95.08576	2.6
96.04479	4.7
96.08117	10.5
97.06519	2.8
98.20694	2.6
106.06515	4.0
107.07317	3.9
108.04443	2.6
108.08108	38.8
110.06003	2.0
110.09674	17.8
118.06548	1.4
120.04453	2.4
120.08086	23.5
122.05981	8.9
122.09654	14.7
124.03931	2.5
124.07605	2.0
134.05994	21.4
134.09659	1.9
136.07567	11.1
138.05493	18.4
138.09122	96.9
139.09447	2.2
146.06009	2.5
146.09596	1.5
148.07520	3.1
150.05484	2.1
150.09135	4.4
152.07028	5.6
154.04919	5.8
160.03940	2.7
162.05484	78.7
162.09122	4.5
163.03920	1.4
164.07048	16.6
166.08630	5.3
170.09595	1.4
172.04007	1.6
176.07085	1.5
178.08733	1.4
180.06619	1.6
180.10165	34.8
182.08228	2.9
190.04919	1.8
194.08022	1.3
197.10757	1.7
199.08601	1.5
202.10854	1.4
203.11758	4.8
204.06517	2.1
207.09206	1.3
209.10680	1.5
210.11429	1.9
211.08548	1.8
211.12297	3.2
213.10205	4.0
215.11676	1.6
217.09727	1.3
220.09807	1.4
222.11501	3.7
223.08569	7.4
223.12241	3.4
224.09363	2.2
225.10194	20.0
226.10876	2.9
227.08008	2.1
227.11780	5.5
233.10695	2.4
233.12846	22.2
235.08633	3.9
235.12306	3.7
236.09377	3.0
236.13040	1.7
237.10178	14.0
237.13821	3.0
238.10953	9.0
239.08061	3.8
239.11757	15.1
239.15451	1.3
240.12540	2.9
241.13358	1.5
243.11238	1.6
247.12231	1.7
248.09369	7.3
249.10202	12.9
250.10954	18.0
251.08153	9.9
251.11754	34.8
252.08667	2.6
252.12573	8.7
253.09630	5.6
253.13286	5.9
254.10486	2.4
254.14059	1.4
255.11346	3.6
262.10913	2.5
263.08670	2.3
263.11755	40.9
264.09146	1.8
264.12491	10.1
265.09756	11.6
265.13333	24.0
266.10541	4.5
266.13992	6.5
267.11249	9.8
267.14801	3.9
268.12097	1.7
269.12726	2.2
271.10770	3.4
273.12268	2.1
275.11459	2.0
277.09741	4.6
278.10474	6.3
279.11218	19.2
280.11920	2.7
281.12793	17.3
282.10013	2.0
282.13409	1.5
283.10773	13.2
283.14032	2.7
284.11639	2.3
285.12320	9.6
291.11176	10.3
292.11938	3.1
293.12769	11.5
295.10757	5.7
295.14380	3.7
296.11536	18.6
297.12299	20.4
298.13025	5.6
299.13907	3.9
303.13373	15.7
307.10641	3.4
309.12289	69.7
310.12854	5.5
311.13846	35.0
313.11761	4.9
319.10791	5.9
321.12335	8.2
323.10269	2.0
323.13794	2.2
325.11847	10.4
326.12430	2.6
327.13342	13.5
331.34622	1.4
334.75790	1.3
337.11813	29.4
338.12378	5.2
339.13336	18.1
341.14920	8.1
345.14630	1.4
351.13354	2.3
353.14908	2.4
356.13831	2.5
357.14417	13.5
358.15170	2.8
359.15991	1.7
369.14417	100.0
370.15137	7.5
371.15982	41.1
372.16751	4.6
373.17358	2.1
400.16492	1.6
411.15381	1.5
412.16064	1.5
422.16776	1.3
430.17651	2.6
432.19196	5.3
434.17151	3.2
435.93210	1.4
442.17517	2.0
444.18942	3.9
446.21350	2.3
448.18597	1.3
450.16425	6.7
452.40335	1.4
458.16898	2.9
460.18500	4.6
462.15619	12.4
466.19485	5.6
474.15887	1.9
476.18164	1.9
477.21732	1.3
482.19122	10.6
486.16431	17.0
490.19479	2.6
492.21603	13.0
494.19031	35.6
504.17316	11.5
506.18948	2.6
513.16321	1.3
518.19171	69.5
519.19421	5.4
522.18683	2.2
524.20349	3.9
536.20172	33.2
537.20679	1.8
554.21033	4.8
567.25793	3.0
583.25500	2.2
593.23651	4.7
601.26318	2.6
611.15808	2.0
611.25012	31.2
611.34949	1.8
612.25220	1.8
625.26318	3.9
629.15497	2.4
629.26013	49.3
630.26154	5.6
643.27600	11.8
661.28705	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
53.41182	0.5
57.03416	0.9
62.46244	0.6
65.03904	0.8
66.52225	0.5
67.05502	3.4
69.07037	0.9
69.63043	4.2
70.02968	0.5
70.06574	0.6
77.19489	0.5
79.05460	2.2
80.14539	0.6
81.03407	3.5
81.07037	2.0
83.08593	0.7
86.09693	1.0
91.05461	5.9
93.07029	4.4
94.06561	2.8
95.04932	2.3
95.07317	1.2
95.08584	1.4
96.08117	2.4
97.02902	0.7
97.06498	2.3
98.21468	1.0
105.07011	1.4
106.06483	0.9
107.07318	0.8
107.08543	1.2
108.08099	4.0
109.06565	0.6
109.10151	0.5
110.09644	3.6
117.06998	0.6
118.06524	1.2
119.08559	1.8
120.08065	3.8
121.06474	0.7
122.06017	6.2
122.09661	8.5
126.05474	1.2
129.06979	0.8
130.06635	0.6
131.07285	1.3
131.08540	0.7
133.10081	1.0
136.07559	38.0
137.08012	0.7
137.09575	0.8
138.09120	15.4
140.10690	14.9
145.07532	0.7
145.08833	0.7
145.10095	0.7
146.06012	0.5
146.09610	1.6
148.07587	1.1
150.09103	1.3
153.07062	0.6
160.07607	0.5
160.84856	0.5
163.03867	1.5
165.09181	0.6
166.08585	1.1
168.10254	0.8
169.01341	1.4
172.11185	0.7
174.05521	0.6
174.09093	4.3
174.12730	0.8
175.05008	3.2
176.10643	0.7
177.06610	0.9
181.08760	0.6
187.08644	0.7
188.10648	1.4
192.10129	1.4
198.07864	1.9
199.08600	5.3
199.10023	0.5
200.10706	1.8
201.06587	2.3
202.12256	3.9
203.04451	1.3
203.07996	0.9
205.06033	0.7
211.08644	7.2
213.06664	0.8
213.10220	2.0
214.12277	1.1
215.08212	1.0
216.10304	0.9
216.13786	3.2
220.09648	1.5
224.10718	1.1
225.06573	2.4
226.07106	3.2
226.12314	1.2
227.08102	15.1
227.11699	0.9
228.10287	1.1
229.06068	2.1
229.09630	0.8
235.07069	1.2
237.10298	0.6
239.08124	47.2
240.08751	2.0
241.09555	3.6
241.13318	1.0
242.11794	4.2
250.08679	0.6
251.08136	0.9
253.06006	1.9
253.09708	1.9
254.06850	3.4
255.07762	3.6
255.11357	1.8
261.08740	1.0
265.09692	1.2
266.10425	0.7
267.07584	12.4
267.11353	1.1
267.15863	1.3
269.09177	1.4
269.12732	1.2
279.11337	0.7
281.09348	1.7
282.09961	0.7
283.10645	1.0
285.08789	2.5
285.12000	0.6
286.09409	2.4
287.10245	8.5
295.10751	2.0
297.12399	0.9
299.10220	31.2
300.10760	2.0
301.12088	0.7
311.10196	0.9
313.11832	1.7
315.13318	1.2
317.12778	0.8
334.15469	1.3
339.19760	0.6
344.14023	1.5
345.12079	0.8
345.15927	0.9
347.12753	1.0
362.14877	6.4
364.16565	1.4
366.18146	1.4
371.13422	1.2
372.13272	1.2
373.15338	4.0
388.16733	0.7
390.14127	3.3
390.18637	0.9
392.19803	0.9
398.15317	0.7
399.13348	0.9
400.16449	1.2
401.15088	1.5
402.18307	1.0
404.15955	0.9
410.17151	0.7
416.16107	3.7
417.16034	0.8
418.17612	5.3
420.19336	1.2
422.16919	2.0
431.24356	1.0
433.17627	1.2
434.16830	0.8
436.18564	1.5
442.19666	7.3
444.15344	2.5
446.16833	1.5
449.25223	0.9
450.20331	2.9
462.16568	1.4
464.17990	5.2
476.18066	13.7
478.19644	1.9
479.13104	0.8
494.19156	100.0
495.19446	5.9
496.20712	29.3
497.20990	2.1
539.26373	0.7
557.27332	1.3
583.25372	1.5
585.10022	0.6
585.26764	0.8
601.26160	1.6
611.24286	2.3
615.27917	3.8
629.25842	3.5
633.29120	11.1
634.29456	1.2
643.27478	2.0
661.28571	8.1
694.88770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69793	0.6
52.24292	0.6
55.01764	0.6
55.05419	0.7
55.05671	0.7
64.89809	0.5
67.05388	1.3
67.05701	0.7
69.06961	0.6
79.05346	1.7
79.05769	0.9
80.80145	0.6
81.03268	2.0
81.06901	1.8
83.04852	0.8
91.05316	2.1
93.06882	1.9
95.04858	0.7
95.08459	0.9
97.06360	2.6
98.21416	0.7
107.04803	0.7
107.08451	0.6
110.12865	0.6
111.28429	0.5
119.08409	1.3
121.09995	0.8
135.07907	1.0
137.21716	0.6
145.09999	0.8
147.07893	0.7
157.09886	0.6
159.11647	0.6
165.09006	0.6
255.15778	0.7
323.52960	0.6
400.16049	0.8
402.62247	0.6
411.14670	1.0
412.15186	1.0
413.16006	1.2
416.14935	1.0
418.17236	0.9
423.21335	0.7
425.16403	2.8
426.16913	0.7
427.17819	1.2
428.14612	1.6
429.15390	1.9
430.16287	1.1
431.16910	2.5
433.19205	0.7
439.13550	1.6
440.13531	1.1
440.18433	3.5
441.14804	3.9
442.16382	1.9
443.17053	2.3
444.18265	1.4
445.18723	0.7
452.14816	1.1
452.21204	1.0
453.15671	7.0
454.16235	5.6
455.17377	3.8
456.18359	3.2
457.14368	4.8
458.15289	1.7
467.18002	4.7
468.18549	10.7
469.19193	8.2
470.19095	2.4
471.15347	3.1
471.21161	1.3
472.17560	3.5
475.19608	1.0
480.13849	0.8
481.15021	3.1
482.14810	6.1
482.20596	1.1
483.15634	3.7
485.13962	0.9
486.18756	2.1
490.18744	0.6
495.17072	3.1
496.17355	14.0
497.18082	24.5
498.18643	4.3
499.15796	4.0
500.16833	0.9
509.14166	1.5
510.19150	1.4
511.20145	2.9
513.17700	3.4
514.18408	6.2
515.19019	3.0
520.17572	0.9
523.19312	0.8
524.16797	15.2
525.17505	2.0
528.20178	7.4
529.20905	4.2
530.21344	3.1
537.17529	0.6
538.20093	1.0
541.17175	0.8
542.18066	0.7
551.18695	0.8
553.21161	3.1
554.17975	0.9
555.18658	3.3
556.19592	7.5
557.20392	1.9
569.20178	7.8
570.20667	1.7
585.23486	1.2
586.20978	1.0
587.21338	4.8
597.19739	20.9
601.22748	3.5
611.21857	0.8
614.19427	0.9
618.23297	5.3
619.24066	3.9
629.22382	100.0
630.22607	5.3
647.23779	0.8
661.25031	63.7
662.25543	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01860	4.3
55.05505	13.9
57.03434	15.4
57.07070	2.0
61.02898	2.9
67.05499	37.0
69.03409	6.1
69.07047	8.4
70.93247	2.7
70.93612	6.6
71.04969	6.2
71.08569	1.9
75.24861	2.1
79.05478	35.3
81.03410	57.0
81.07052	26.1
82.96182	2.0
83.04965	20.1
83.08610	14.5
85.02872	13.1
85.06530	2.8
86.09702	2.8
91.05467	100.0
93.06591	1.9
93.07037	21.8
94.04209	1.9
95.04952	19.3
95.08582	8.2
97.02872	7.0
97.06520	15.5
105.07013	39.2
107.04939	16.1
107.08575	9.3
109.02882	2.3
109.06485	6.4
109.10174	3.6
111.08061	5.9
117.06998	9.3
119.08561	24.0
121.10112	8.0
123.08040	4.8
129.06961	7.6
131.08548	12.2
133.06366	2.3
133.10110	43.2
135.08015	6.7
136.07558	2.3
141.06944	2.4
143.08548	7.9
145.10120	2.7
147.11653	8.2
149.09575	10.2
151.11159	5.4
157.10100	7.4
161.09602	14.9
175.11145	8.3
176.06218	2.0
179.10612	8.9
184.07242	2.1
193.12206	19.3
211.13252	29.2
232.62848	2.0
239.12865	3.4
247.79681	2.4
253.14336	95.5
253.17029	4.5
255.12263	3.5
267.15863	33.5
268.16147	2.4
285.16922	29.0
345.41333	2.1
445.25909	49.6
451.20999	3.9
463.26920	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
55.05502	15.8
57.03429	16.5
57.07055	6.2
59.04985	4.9
61.02906	6.0
63.74449	1.4
67.05495	96.0
69.03419	1.4
69.07056	17.6
70.54996	1.3
70.81102	3.0
71.04984	2.0
71.08611	3.9
73.02901	1.9
74.56287	1.8
78.84448	1.2
79.05476	12.4
80.05828	1.6
81.03390	2.2
81.07043	48.5
83.04963	2.7
83.08609	11.6
85.02881	5.0
85.06520	3.2
85.10177	2.0
89.06017	5.8
91.05470	16.8
93.07040	13.9
95.04954	2.4
95.08599	27.7
97.02897	2.7
97.06509	3.7
97.10154	3.1
99.08041	2.0
105.07001	6.5
107.04923	1.8
107.08583	7.1
109.10145	67.1
111.08037	3.1
119.08565	10.9
121.10139	7.2
123.08079	2.4
123.11677	4.7
125.09604	3.2
133.08577	3.2
133.10106	5.9
135.11699	3.4
137.09587	5.2
137.13170	1.9
147.11658	3.5
149.13257	2.7
155.10661	3.7
161.13214	2.7
173.11703	20.1
177.12762	1.6
195.09741	1.4
217.19479	6.4
229.14331	100.0
230.14592	2.7
235.20531	9.5
309.24197	67.8
310.24814	2.7
340.37659	1.4
463.34131	68.6
464.34598	3.6
657.04596	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76957	0.1
53.03926	0.3
55.01863	0.3
55.05501	0.3
55.79323	0.1
57.03408	0.2
63.93903	0.1
65.03927	0.4
67.05497	4.3
69.03423	1.1
69.07048	0.2
69.70448	1.2
70.06576	0.2
70.86803	0.1
71.04996	0.2
79.05472	0.6
81.03412	3.2
81.07042	2.3
85.02879	0.7
90.24223	0.2
91.05452	0.6
92.02621	1.1
93.03391	1.0
93.07035	0.8
93.98241	0.2
95.04945	0.9
95.08607	1.4
97.02329	0.2
97.02868	1.1
97.06509	0.2
98.21451	0.2
99.04430	0.6
107.08559	0.5
109.02870	2.1
109.06498	0.5
109.10146	7.9
110.10424	0.1
111.00773	0.3
111.04440	0.2
119.08553	0.8
121.02850	1.2
121.10104	0.1
122.09654	0.7
125.05953	0.2
126.03065	0.2
127.03896	1.9
135.04431	0.4
135.08031	0.2
136.01654	0.2
136.07571	0.3
137.02304	1.3
137.09604	17.6
138.09995	0.2
139.03906	0.9
145.02827	0.2
150.09125	0.5
151.03902	3.4
151.04985	0.1
153.01807	7.4
155.10648	1.3
159.04329	0.2
163.03880	0.6
163.07614	0.2
165.01839	0.8
165.09097	15.7
166.09464	0.3
171.02896	0.3
173.05957	0.2
175.03917	0.2
177.05396	0.4
183.10159	1.5
192.10103	0.1
201.05331	0.7
201.11221	1.7
203.03418	0.2
217.04936	0.8
218.05739	0.6
219.02902	0.3
228.04207	1.1
229.04953	3.1
231.02870	0.4
233.04517	0.2
239.03319	0.2
243.06448	0.3
245.04419	0.9
246.05225	1.7
247.95456	0.2
256.03586	0.3
257.04395	2.4
260.03220	0.3
261.07440	0.3
271.06009	0.4
273.03876	1.5
274.04700	4.7
275.05264	0.4
284.03094	0.3
285.03915	4.3
286.04657	0.3
288.06088	0.3
299.10367	0.3
302.04184	13.6
303.04501	0.4
309.13361	1.1
317.06522	100.0
318.06876	2.8
327.14380	2.3
359.07593	0.9
384.83411	0.2
425.08304	0.4
494.19055	0.6
496.20697	0.2
517.57068	0.2
611.25146	0.3
628.66565	0.2
629.25812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.9
55.01865	12.9
55.05502	10.3
57.03431	17.2
59.04965	2.6
61.02922	6.9
65.03902	2.1
67.05496	15.2
69.03415	3.6
69.07066	3.5
71.01322	1.5
71.04971	3.5
73.02885	1.9
79.05483	39.9
81.03408	14.9
81.06598	1.0
81.07047	13.7
83.00861	0.7
83.01329	11.5
83.04971	11.3
83.08605	7.7
85.02888	9.8
85.06514	0.8
86.09721	0.7
87.61211	0.6
91.03974	4.0
91.05467	56.0
92.05737	0.7
93.03524	0.6
93.07031	35.8
95.01320	0.6
95.04960	7.6
95.08596	7.0
97.02882	5.5
97.06528	6.3
97.10136	1.4
97.42295	0.7
98.06828	0.8
99.04405	2.5
105.03382	1.4
105.07012	9.0
107.04253	0.7
107.04942	11.5
107.08582	29.1
108.08899	0.7
109.06499	7.7
109.10133	1.6
111.04420	4.1
111.08047	2.2
115.05434	5.9
117.07002	49.7
118.07265	0.7
118.71665	0.6
119.08566	11.1
121.06506	4.1
121.10121	6.3
123.04411	0.9
123.08049	7.1
125.05955	1.1
125.09584	1.9
127.03922	1.6
129.05434	1.0
129.06958	1.0
130.12244	0.6
131.08519	2.7
133.10123	1.5
135.08037	54.5
135.11670	8.9
136.08559	0.8
137.09578	2.5
139.07535	0.9
143.08527	1.2
145.04947	1.2
145.06448	2.4
145.10109	11.2
147.01553	0.8
147.07993	1.9
147.11728	0.7
153.09094	3.3
153.12715	2.4
155.08565	1.6
163.03896	2.0
163.07538	8.2
163.11168	19.5
169.01230	1.2
173.09592	3.0
181.08635	3.0
181.12224	2.7
184.07294	2.1
191.10661	2.5
199.09619	2.4
209.11659	5.6
227.12831	3.1
253.14154	1.2
255.12248	100.0
256.12708	1.5
283.15372	94.5
284.15915	1.7
431.24213	1.4
445.22015	1.3
463.23209	75.5
464.23749	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
55.01863	6.2
55.05508	16.2
57.03427	28.4
57.07062	3.4
61.02916	85.3
65.03915	2.9
67.05494	53.9
68.05801	1.7
69.03417	35.2
69.07057	14.9
70.06582	6.9
71.01340	4.6
71.04977	7.7
71.21085	3.7
73.02902	32.3
75.04466	3.6
77.89762	1.5
79.05481	40.8
81.03407	37.7
81.07042	64.2
83.01342	3.1
83.04969	6.8
83.08598	8.4
85.02891	100.0
85.06499	2.7
87.04463	6.1
88.07608	5.7
91.03942	61.8
91.05464	32.5
91.22886	1.4
93.07032	44.4
95.01304	1.8
95.04957	6.9
95.08594	45.0
97.02879	87.8
97.06499	8.3
97.10156	2.3
98.03204	1.4
99.04423	11.9
101.02362	10.3
102.09173	4.9
103.03914	11.2
105.07005	26.5
107.04908	3.3
107.08566	25.3
109.02866	20.7
109.06511	6.8
109.10126	19.3
111.04420	4.2
111.08060	2.8
115.03908	8.4
115.83630	2.1
117.05447	3.5
117.06998	11.4
119.08549	21.0
121.06509	2.8
121.10126	24.4
123.08047	3.6
123.11685	9.0
125.05904	2.2
127.03894	39.9
129.05475	5.5
129.06981	3.3
131.08553	16.8
133.06529	2.1
133.10109	18.1
135.08049	3.6
135.11659	15.4
137.05931	1.7
137.09666	2.7
137.13245	4.3
141.07005	2.4
143.08524	3.7
145.04939	22.7
145.06155	1.9
145.10104	14.6
147.11678	10.8
149.02348	12.3
149.09599	5.5
149.13245	8.7
150.02666	2.1
151.11069	2.4
157.10152	3.9
159.06483	4.1
159.11697	12.7
161.13274	8.0
163.05994	6.0
163.11102	3.7
163.14784	3.7
169.10088	4.5
171.06581	3.0
171.11679	4.1
173.09717	1.9
173.13301	7.4
175.11180	3.0
175.14767	2.9
177.12704	3.2
179.14276	2.2
181.10120	2.2
183.06511	12.5
183.11649	2.7
185.13190	3.4
187.11215	3.0
187.14801	6.2
193.04926	18.0
194.05328	5.0
199.14828	2.3
201.07591	7.1
201.16399	1.8
202.47874	1.6
237.07448	2.5
241.19577	2.4
242.11598	2.1
243.21085	7.6
256.26270	11.6
257.18945	2.1
257.26630	7.6
259.20676	2.7
261.22092	19.7
273.18707	1.8
275.20007	7.9
279.23285	2.7
303.23099	2.8
306.97128	1.5
311.14893	2.3
317.24759	2.3
335.25748	95.9
336.26208	6.0
351.22855	2.2
363.25256	4.5
369.24249	4.3
385.09119	2.1
386.09576	2.7
405.27121	1.9
429.11691	3.5
430.12177	6.6
443.27811	3.8
461.29013	2.8
479.30008	6.2
497.31238	5.5
542.97412	1.8
581.26392	6.5
605.63123	1.9
609.25800	1.8
641.28314	10.5
659.36981	41.1
660.36829	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
55.01863	6.3
55.05505	14.8
57.03432	21.9
57.07066	1.8
61.02920	75.4
65.03930	2.4
67.05497	46.8
69.03425	32.5
69.07059	12.1
71.01347	4.1
71.04983	6.4
73.02908	26.5
75.04464	1.9
79.05019	1.5
79.05485	37.2
81.03413	25.8
81.07050	46.2
82.07391	1.1
83.01347	2.1
83.04972	5.1
83.08601	7.5
85.02896	100.0
85.06522	1.6
87.04447	3.1
90.23484	1.1
91.03947	61.2
91.05464	23.6
93.06428	1.7
93.07033	38.3
95.04949	7.7
95.08601	37.2
97.02882	77.6
97.06516	4.9
97.10145	2.0
99.04437	14.4
101.02372	8.0
101.46542	1.1
101.79476	1.4
103.03938	7.2
103.05446	1.4
103.11874	1.2
105.07018	17.3
107.04954	3.3
107.08576	19.7
109.02866	12.2
109.06504	4.7
109.10142	17.5
111.04427	4.7
111.08070	2.3
115.03907	6.4
117.05491	2.4
117.06990	8.1
119.08562	12.6
121.06530	2.1
121.10141	15.9
123.04422	1.7
123.08046	2.8
123.11702	4.7
124.90399	1.4
125.09602	1.7
127.03899	33.7
129.05469	4.9
129.06985	2.5
131.07796	1.2
131.08592	11.9
133.10106	11.8
135.08047	2.3
135.11681	11.6
137.09555	2.2
139.03928	1.2
141.06946	1.3
143.08539	3.7
145.04942	26.9
145.10114	9.7
147.07979	2.0
147.11623	9.2
149.09651	3.1
149.13290	8.2
155.08528	2.6
157.10066	3.4
159.06598	1.7
159.11702	9.6
161.09596	1.6
161.13243	4.7
163.06049	6.7
163.07289	1.2
163.11159	2.0
163.14796	3.4
165.29317	1.2
169.10156	2.2
171.11684	3.2
173.13272	7.2
175.11185	1.4
175.14735	1.7
177.12689	1.7
181.10124	2.1
183.06526	5.6
183.08017	1.5
183.11636	2.5
185.13220	3.0
187.14767	2.3
199.14813	1.9
201.07625	3.0
201.12645	1.6
212.16837	1.2
229.15898	1.4
243.21075	3.7
257.26593	1.6
259.20486	2.6
261.22162	15.5
274.73416	1.3
275.20129	1.7
279.22937	2.0
289.21643	1.2
303.23215	2.9
317.24698	1.6
327.23041	1.9
335.25766	65.0
336.26208	1.8
336.74564	1.2
363.25186	2.4
369.24323	3.7
443.27945	3.0
461.29007	2.6
479.30234	7.9
497.31461	4.3
561.37823	2.5
567.18530	1.9
627.20392	2.6
659.37128	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23569	0.8
52.71901	1.0
55.55501	1.2
57.03396	0.9
58.30738	0.9
70.74986	0.8
71.74409	1.0
72.12265	0.8
79.05475	1.7
79.21507	0.9
80.04997	1.1
80.27086	0.9
80.46483	0.9
81.03390	2.2
81.07025	1.2
83.05032	1.2
90.77939	1.0
91.05450	2.5
93.05739	1.3
93.07021	1.9
93.10500	1.0
94.06541	5.4
95.04917	1.7
95.07346	2.2
95.08586	1.0
96.08115	3.6
97.06528	2.7
108.08101	12.3
110.09679	6.5
116.04969	1.8
118.06483	1.5
120.04501	2.3
120.08091	8.8
122.06017	1.1
124.07610	5.0
134.06000	2.9
136.07542	4.4
138.05489	1.0
138.09123	34.7
140.10620	1.1
144.04428	3.4
146.05998	5.4
150.09120	8.1
152.07001	1.5
158.09702	1.4
160.03905	2.2
162.05553	3.9
162.09099	3.1
164.07019	1.8
172.03931	14.5
173.07106	1.0
173.10732	1.0
174.05481	3.4
176.07022	5.7
180.10173	22.3
190.04964	13.7
198.07912	1.2
201.10242	1.9
204.06535	28.4
212.07217	1.5
212.09358	2.0
223.08620	1.1
225.10182	1.4
227.08168	3.9
227.11801	2.6
229.09798	4.6
235.08731	1.0
236.09529	1.2
237.10129	1.5
238.11060	1.3
239.11809	1.5
241.09717	4.0
243.07756	1.5
245.12787	1.2
249.10297	3.7
250.10912	1.1
251.11754	2.0
253.09721	2.6
255.07787	1.2
255.11243	1.1
257.09210	3.1
263.07977	1.4
263.11679	1.3
264.09012	2.5
265.09683	3.9
266.10291	1.1
267.11356	2.0
269.09225	6.2
269.12833	3.2
271.07193	1.0
271.08066	1.2
271.10721	8.1
273.08649	2.9
277.09549	2.3
279.11264	4.3
281.09299	1.6
283.10745	4.9
285.08630	6.5
286.09409	5.4
287.10370	2.6
287.13885	2.8
289.11807	12.3
291.11169	1.6
295.10654	1.8
296.11475	2.0
297.12347	8.2
299.10403	1.7
301.15826	1.3
302.09421	1.1
305.08969	1.2
307.10443	1.5
309.12201	1.3
313.12210	0.9
315.10086	1.4
315.13730	1.2
316.10989	1.8
321.12103	1.0
323.10187	4.8
328.14432	1.7
330.12161	2.6
331.13312	2.3
332.13974	1.6
335.10272	2.1
339.09351	1.2
339.13385	20.5
340.14407	2.3
341.11481	1.9
341.15222	1.5
342.12286	1.5
344.10211	3.1
344.13922	2.5
354.12357	2.5
356.10291	1.2
356.14154	2.1
357.10764	1.4
357.14502	3.7
358.11749	2.3
359.12497	1.6
360.13306	3.2
367.09384	3.3
368.13916	1.7
369.10999	2.0
371.15930	3.3
372.13419	6.3
373.14053	2.3
374.15009	2.2
382.11819	2.6
383.12576	1.1
384.09714	1.6
385.10345	1.2
386.10895	1.4
386.14954	2.6
387.12006	3.3
388.12653	1.7
390.14679	2.7
396.13489	1.7
399.12555	1.3
400.12906	11.1
401.13858	9.1
402.14291	1.9
404.15918	1.3
414.14270	4.4
416.15878	2.0
418.14178	2.9
424.12985	1.5
430.13928	4.2
432.15390	9.2
439.78409	1.0
442.13889	13.3
448.14868	20.5
460.14975	62.2
461.15311	1.9
462.16193	1.9
474.16351	1.6
480.17340	2.1
492.17593	12.8
502.19916	4.4
565.23425	1.1
567.22540	6.9
585.23499	8.6
591.22229	1.8
609.23352	22.7
627.24426	100.0
628.24597	3.6
641.24854	1.2
659.26807	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35408	0.8
67.05500	1.7
70.11080	4.7
73.06834	0.9
79.05497	1.0
80.04968	0.9
81.03400	1.1
81.03857	1.0
84.08140	1.3
91.05481	1.1
93.05775	1.2
93.07043	1.1
94.06555	3.5
96.04491	1.8
96.08132	3.3
98.21378	1.5
101.07132	2.1
108.08112	14.5
110.09670	4.4
111.04469	1.3
120.08103	5.0
122.06046	4.2
122.09655	1.6
124.07631	2.3
136.07582	3.0
138.05519	1.6
138.09125	18.8
144.71486	0.9
147.47087	0.9
150.05435	2.5
150.09151	5.6
152.07082	2.8
162.05499	1.8
164.07069	2.5
178.08661	2.1
180.10210	3.8
182.08185	1.3
192.05452	0.9
204.06610	1.5
204.10246	1.3
211.08606	1.5
219.09241	1.0
220.10054	1.1
221.10635	1.3
222.11391	1.2
223.08646	1.5
223.12273	1.0
225.10216	1.8
227.11697	1.2
229.13368	1.1
230.14793	0.9
233.10757	1.7
233.12863	4.5
234.11580	0.9
235.08629	5.2
235.12370	2.7
236.09181	1.3
237.10243	7.3
238.11047	2.5
239.11743	2.7
247.08698	8.4
247.41444	0.9
248.09373	7.2
249.10196	13.7
250.11012	14.7
251.08121	1.0
251.09329	1.1
251.11766	10.3
252.12697	1.1
253.13521	1.4
255.11397	1.7
261.10196	12.3
262.10992	10.2
263.11783	41.3
264.08929	1.8
264.12436	2.8
265.09698	4.2
265.13397	3.5
266.10608	1.1
267.11353	2.4
271.10684	1.6
275.08124	2.3
276.08548	1.1
277.09647	5.7
278.10489	3.5
279.11255	41.7
280.11899	2.0
281.12650	1.2
282.10077	2.3
283.10733	2.3
285.12314	7.6
289.09793	5.8
291.11255	8.4
292.12158	2.1
293.12677	4.6
295.10794	5.0
295.14206	1.9
296.11581	2.4
297.12305	3.1
299.05435	1.9
303.13443	3.4
307.10712	22.6
309.12329	11.0
311.13904	1.6
313.07074	1.4
317.09485	1.1
319.10770	6.1
321.12320	1.7
323.10440	1.5
323.13962	5.1
325.11713	2.1
327.13403	1.6
328.14545	2.6
335.10251	15.7
336.10916	1.6
337.07516	1.7
337.11783	12.3
338.12680	1.4
339.09201	1.3
339.13263	9.0
340.14685	1.9
342.15958	2.9
352.14545	1.1
355.12854	7.0
356.13593	1.8
356.17511	1.4
357.14398	3.5
358.15530	1.9
359.67560	1.0
367.12866	53.3
368.13614	4.2
369.14474	11.6
370.15326	1.9
371.16379	1.0
384.17365	1.3
388.16443	1.4
398.95422	1.1
399.10553	1.7
400.16629	1.9
402.18030	1.7
406.17322	1.3
414.18192	1.8
419.18274	1.1
424.48785	0.9
428.15808	1.1
432.19098	3.0
442.17865	1.6
448.18634	3.9
460.18771	4.7
463.20990	1.5
470.17148	1.3
474.20111	3.5
476.22137	1.2
488.18213	2.1
490.19604	1.4
492.21313	100.0
493.21597	3.7
502.19525	2.6
516.17853	1.4
518.19928	4.1
519.19910	3.3
520.20819	12.7
534.22357	17.7
535.23065	1.4
536.23676	1.9
562.21948	1.2
581.23804	4.6
609.23444	7.8
613.26270	2.0
623.24963	1.6
627.24408	3.8
641.25970	26.3
659.27191	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39240	0.7
55.01863	0.7
57.03422	0.7
65.03939	1.1
67.05495	1.9
69.07051	0.8
69.51124	0.6
70.06579	1.3
70.31882	2.0
72.45073	0.7
77.03927	0.7
79.05493	2.4
80.04980	0.6
81.03410	2.1
81.07040	1.3
91.05482	2.5
93.05787	0.9
93.07025	2.1
94.06558	5.1
95.04940	1.0
95.07344	2.2
95.08578	0.8
96.08125	5.0
97.06535	2.0
98.20766	0.8
105.07036	0.7
106.06522	0.9
107.04943	0.8
107.07324	0.7
107.94327	0.7
108.04492	1.0
108.08107	14.2
109.10142	0.7
110.09662	8.0
116.04985	1.7
118.06540	2.4
119.08581	1.0
120.04476	3.5
120.08089	9.6
122.06046	2.4
122.09657	0.8
123.00803	0.8
124.07586	5.7
134.06023	2.6
136.07565	6.1
138.05528	1.0
138.09129	38.3
140.10686	1.1
144.04428	4.8
146.06003	8.7
148.07574	1.0
150.09142	7.4
152.07135	1.0
160.03934	1.7
162.05475	3.9
162.09119	3.4
163.03914	1.7
164.07082	2.0
166.08664	1.2
169.01360	1.3
172.03923	18.7
172.05321	1.4
174.05505	3.1
175.06335	0.8
176.07013	5.2
178.08632	1.5
180.10176	24.1
183.09111	0.9
184.07556	0.9
184.09953	0.8
188.07080	0.8
190.04990	13.3
195.09135	1.2
198.07790	1.2
199.08676	1.0
200.10725	1.3
201.10216	3.4
204.06540	30.6
209.10799	0.9
211.08701	0.8
212.07402	0.7
212.09442	2.9
213.06586	1.4
213.10205	0.8
215.08427	0.8
217.17319	0.8
223.08733	1.2
223.12389	0.8
224.09418	1.3
225.10210	1.9
227.08159	4.5
227.11757	3.0
228.08888	0.8
229.09688	5.5
235.08752	1.1
235.12167	0.9
236.09473	2.4
237.10190	3.5
238.11020	1.6
239.08147	1.6
239.11914	2.0
241.09698	4.9
243.07713	1.7
245.12984	1.1
249.10196	3.7
250.11038	1.0
251.08165	1.6
251.11957	3.2
252.08945	1.1
253.09592	3.5
255.07626	1.3
257.09250	3.1
261.10098	1.0
261.12506	1.1
263.08212	2.0
263.11847	2.0
264.09052	2.3
265.09659	5.3
266.10440	1.5
267.11343	1.5
269.09286	6.2
269.12512	3.9
271.10715	9.6
273.08627	3.8
277.09735	2.4
278.10773	0.9
279.11267	7.5
281.09216	1.2
281.12735	0.8
283.10727	6.4
285.08618	7.2
286.09341	6.9
287.10330	1.2
287.13983	1.9
289.11859	9.5
291.11374	2.0
293.09274	0.9
295.10825	2.3
297.12296	9.5
298.13333	1.2
299.10352	0.7
299.14127	1.2
300.11929	0.9
300.15009	1.5
301.12219	1.4
301.15656	1.3
302.13062	1.4
307.10693	0.9
309.12347	1.0
311.13745	1.1
312.15237	0.9
313.15723	1.3
314.13016	1.7
315.10324	1.3
315.13748	1.1
316.11017	1.2
316.14603	1.8
317.11792	0.9
318.12509	0.8
321.12115	1.3
323.10303	5.0
324.11090	2.4
325.12027	1.0
326.12964	1.6
327.11035	1.2
328.14343	1.7
329.11804	1.3
329.15317	0.9
330.08679	1.1
330.12460	2.8
331.13174	1.9
332.14017	1.4
335.10193	1.5
337.11664	0.8
339.13351	23.1
339.17279	1.2
340.14377	2.8
341.11526	1.2
341.15131	2.3
342.12399	2.0
343.13828	1.2
344.10297	2.7
344.13947	2.3
345.11169	1.0
346.11942	0.8
346.15900	0.9
353.11490	1.7
354.12491	2.7
355.13165	1.3
356.10126	1.3
356.14145	1.6
357.10727	1.3
357.14905	3.5
358.11761	2.5
358.15610	1.6
359.12631	2.1
360.13297	3.3
360.17386	1.1
362.15112	1.3
367.09387	2.0
368.13940	3.1
369.11151	2.3
370.11557	1.5
370.15598	1.8
371.12079	0.8
371.16068	2.4
372.13373	7.4
373.14197	3.1
374.14957	1.7
382.11771	3.3
383.12189	0.8
384.09857	2.2
384.14017	1.1
385.10336	2.0
386.10812	1.3
386.15338	3.5
387.12299	2.3
388.16632	2.1
390.14447	2.0
392.16248	2.1
396.13492	3.8
398.14996	2.2
399.12564	1.2
400.12906	9.8
401.13705	9.0
402.14465	2.1
406.13693	1.1
414.14267	5.6
416.16302	3.2
418.13950	1.6
420.15137	0.9
424.13303	1.0
430.13800	4.8
432.15494	9.0
433.16229	1.0
442.13916	13.1
448.14819	21.0
460.14984	63.9
461.15421	2.9
462.16827	1.4
471.70987	0.7
474.16669	1.2
480.17664	2.1
492.17624	13.2
502.19540	3.4
549.21161	1.1
567.22430	7.4
583.25421	1.0
585.23352	12.1
586.23724	1.5
591.22357	2.5
599.24579	2.0
609.23376	24.4
610.23407	1.5
627.24432	100.0
628.24835	4.2
659.26434	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17991	1.2
56.96557	2.4
69.67186	10.5
70.06572	2.3
73.89431	1.4
81.03429	1.7
85.02909	2.6
86.09701	1.7
91.05517	1.6
98.21420	2.5
98.97573	7.9
108.08113	2.2
116.98609	7.6
127.03767	1.2
128.98557	2.0
134.99667	3.7
145.05148	1.4
146.99696	1.8
150.09113	2.2
161.01245	2.5
177.00757	1.8
181.04944	1.8
185.18814	1.4
189.00735	2.4
197.04416	1.4
201.00623	1.5
213.00798	2.1
214.25517	1.7
219.01842	2.8
233.12872	1.9
237.02896	5.8
244.02617	2.7
251.11421	2.0
255.01869	3.8
270.04108	6.7
273.02795	2.9
285.06534	2.2
288.05237	5.0
317.06537	2.1
327.07678	4.3
350.09528	2.0
356.21378	1.5
363.07358	1.7
370.05551	1.6
381.08563	1.9
388.06958	2.2
411.10361	14.6
429.10580	7.2
453.11148	5.1
471.11725	11.0
497.10562	17.8
572.92969	1.6
609.24146	1.5
615.16785	33.4
627.24689	1.8
641.25507	2.1
659.15887	100.0
659.26318	5.4
660.16553	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17991	1.2
56.96557	2.4
69.67186	10.5
70.06572	2.3
73.89431	1.4
81.03429	1.7
85.02909	2.6
86.09701	1.7
91.05517	1.6
98.21420	2.5
98.97573	7.9
108.08113	2.2
116.98609	7.6
127.03767	1.2
128.98557	2.0
134.99667	3.7
145.05148	1.4
146.99696	1.8
150.09113	2.2
161.01245	2.5
177.00757	1.8
181.04944	1.8
185.18814	1.4
189.00735	2.4
197.04416	1.4
201.00623	1.5
213.00798	2.1
214.25517	1.7
219.01842	2.8
233.12872	1.9
237.02896	5.8
244.02617	2.7
251.11421	2.0
255.01869	3.8
270.04108	6.7
273.02795	2.9
285.06534	2.2
288.05237	5.0
317.06537	2.1
327.07678	4.3
350.09528	2.0
356.21378	1.5
363.07358	1.7
370.05551	1.6
381.08563	1.9
388.06958	2.2
411.10361	14.6
429.10580	7.2
453.11148	5.1
471.11725	11.0
497.10562	17.8
572.92969	1.6
609.24146	1.5
615.16785	33.4
627.24689	1.8
641.25507	2.1
659.15887	100.0
659.26318	5.4
660.16553	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50832	1.3
55.05496	3.2
57.03439	1.7
57.07069	50.7
67.05496	8.0
69.07057	9.2
69.07369	1.6
69.44207	15.1
71.08624	48.3
73.06554	8.9
79.05473	4.5
81.07041	10.3
83.08603	4.9
85.10174	27.5
87.04460	8.8
89.06021	100.0
91.05457	4.6
93.07040	4.7
95.08582	3.5
97.06522	2.2
97.10162	3.7
98.21516	1.9
99.11697	5.0
107.07011	3.8
107.08575	3.6
109.06525	2.4
109.10139	2.2
111.11716	4.5
113.13268	5.5
117.09138	8.9
119.08553	1.5
123.08035	1.6
127.14790	3.1
130.08630	3.2
131.07022	3.6
132.67999	1.6
133.08588	65.4
133.10120	3.1
135.11702	2.7
138.02348	1.8
150.72389	1.4
161.11703	3.0
175.09637	2.4
177.11218	30.2
177.12721	1.3
221.13802	6.3
233.27577	1.7
236.59477	1.5
239.14862	2.1
271.26245	4.0
283.17438	3.4
315.28842	4.8
327.20197	2.0
335.25873	1.8
380.41229	1.7
459.28024	4.8
641.47504	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56281	0.5
53.03945	1.4
55.01864	1.9
55.05502	13.6
57.03429	13.8
57.07064	2.3
59.04987	2.9
59.67787	0.5
61.02923	7.0
65.03937	2.8
67.05497	100.0
68.05836	0.7
68.39645	0.5
69.03410	1.7
69.07058	7.5
69.66692	4.5
71.04986	4.4
71.08605	0.6
73.02914	1.5
79.05486	33.1
81.03412	2.1
81.07047	40.7
82.07385	0.5
83.04955	1.2
83.08609	9.2
83.84892	0.6
85.02899	5.6
85.06533	4.7
87.04446	0.6
89.06010	0.9
91.03944	2.4
91.05468	18.4
93.07032	39.5
94.22891	0.5
95.04955	3.4
95.08598	23.7
97.02856	4.3
97.06535	3.0
97.10167	1.8
99.04429	0.6
99.08068	2.5
105.04537	1.1
105.07015	11.6
107.04983	0.6
107.08576	16.6
109.06522	2.6
109.10143	80.0
110.10474	1.0
111.08080	5.3
113.06033	0.9
113.09647	1.5
115.79710	0.5
117.07002	5.2
119.08562	12.6
121.10129	20.5
123.08050	1.5
123.11685	4.3
125.09602	2.2
129.05528	0.6
129.06979	0.8
131.08545	8.1
133.10120	7.6
135.08090	0.9
135.11674	15.9
137.09583	4.4
137.13176	0.8
141.07097	0.5
143.08578	1.0
145.10110	6.7
147.08043	0.6
147.11670	5.4
149.09590	0.6
149.13243	7.0
151.11180	1.0
155.10684	3.2
157.10147	0.7
159.08087	0.7
159.11664	6.7
161.13266	1.9
163.11096	1.0
163.14827	0.7
173.11717	22.0
173.13242	5.1
174.47206	0.5
175.14749	0.6
187.14830	0.9
189.16386	0.9
201.11168	1.7
205.19479	2.5
213.16360	0.7
215.17932	19.7
227.12735	2.6
228.49431	0.6
229.14330	82.0
229.61366	0.5
230.14642	1.3
233.18980	20.3
249.55765	0.6
250.89482	0.6
260.83551	0.5
261.22058	0.6
275.20111	0.6
289.21524	1.4
291.19431	0.6
299.14780	0.6
307.22641	70.1
308.22873	1.3
335.25647	1.8
351.26645	0.9
369.27838	1.3
385.59100	0.6
387.28647	1.3
398.13538	0.7
413.15744	0.6
427.17038	0.6
443.31366	0.8
456.17014	1.0
461.32578	54.7
462.32654	1.9
479.33252	2.1
484.16876	2.2
506.16794	0.6
527.15747	0.7
528.15533	3.8
529.15576	1.0
630.22992	3.6
631.22510	1.2
640.42572	0.7
658.22058	9.6
659.21564	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74631	0.4
53.03936	1.3
55.05497	5.3
57.03428	7.7
57.07055	0.9
61.02919	2.9
65.03923	0.7
65.59729	0.4
67.05495	16.9
69.03390	0.6
69.07057	3.3
69.98955	2.5
71.04973	0.7
71.08614	0.6
73.02892	0.6
79.05479	16.3
81.03384	0.5
81.07043	100.0
82.07413	0.6
83.04975	0.8
83.08600	1.7
85.02896	2.3
85.06538	0.9
85.10159	0.5
89.02438	0.4
89.06013	1.1
91.03961	1.0
91.05463	5.9
93.07034	11.8
95.04968	1.3
95.08590	13.2
97.02887	1.1
97.06532	1.0
97.10145	1.0
99.08078	4.6
103.03895	1.0
105.07009	4.2
107.08577	7.6
109.06506	1.7
109.10122	7.0
117.07004	1.7
119.08572	3.9
121.10127	6.0
123.08043	0.5
123.11672	2.3
127.07534	8.6
131.08571	3.2
133.08598	0.8
133.10089	3.3
135.11667	3.6
135.91629	0.4
137.09669	0.5
137.13274	0.5
137.48344	0.4
143.07025	0.9
145.08600	7.5
145.10095	2.5
147.11684	2.1
149.13245	2.8
154.67799	0.4
159.11700	2.3
161.13237	1.4
163.14851	1.6
173.13249	2.1
185.13213	0.5
187.14775	1.2
199.09610	2.6
201.11191	50.8
221.13795	0.5
243.21059	2.8
261.22086	11.4
317.24771	1.1
326.59338	0.4
335.25748	37.1
336.26224	1.0
351.26614	0.7
369.27911	1.4
387.29309	0.7
443.31641	0.9
461.32571	14.1
479.33862	1.5
655.57050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.05505	1.1
57.07071	9.2
58.06590	2.2
61.02932	0.6
65.03919	0.9
67.05500	1.0
68.05028	0.7
69.07058	1.0
70.06586	20.3
71.08625	3.0
72.08124	0.8
79.05500	1.2
79.52862	0.5
80.05844	0.4
81.07063	1.6
83.08586	0.6
84.08133	0.9
84.27797	0.5
85.10210	0.9
88.07618	23.7
91.05480	1.2
93.07053	1.2
95.04971	0.8
97.02901	0.7
102.09165	17.9
102.82442	0.5
107.08596	0.8
109.10179	0.8
120.20394	0.5
121.02885	0.8
121.10142	0.6
127.17505	0.5
131.04958	0.6
131.08588	0.6
133.02853	0.7
133.10176	0.8
139.03871	0.8
145.10165	0.9
147.04451	0.5
149.02325	37.9
175.03961	1.4
177.05515	1.2
193.04944	48.2
203.74646	0.5
212.23773	1.0
219.06500	1.0
225.05463	0.7
237.07545	10.4
237.09773	0.7
256.26328	51.5
257.26852	1.1
269.04626	1.9
291.19492	0.5
297.03864	2.4
300.29114	1.6
313.07190	1.8
341.06540	11.8
341.10562	0.7
359.07578	5.7
385.09152	20.5
429.11768	28.3
531.17108	0.5
598.28082	0.7
640.35077	1.9
658.36121	100.0
659.36548	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46986	2.2
53.03931	10.6
55.01865	7.8
55.05511	17.1
57.03435	24.1
61.02925	71.1
67.05502	38.6
69.03429	33.5
69.07063	14.7
70.06592	4.6
71.01334	5.4
71.04976	9.9
71.74646	4.0
71.75022	2.7
73.02911	29.2
73.54794	2.3
77.57867	2.4
79.05489	51.1
81.03411	29.6
81.07053	38.1
83.04970	6.0
83.08610	5.7
85.02898	100.0
87.04462	2.8
91.03952	50.7
91.05474	48.9
93.06486	4.7
93.07034	41.1
95.04983	13.9
95.08597	24.4
96.94934	3.0
97.02891	80.6
97.06525	11.9
97.10154	3.8
98.06860	3.4
99.04456	12.5
101.02365	10.1
103.03939	10.6
103.05419	3.2
105.07027	39.3
107.04957	6.8
107.08599	22.4
109.02865	10.7
109.06519	5.2
109.10145	8.8
111.04418	4.1
115.03899	6.9
115.05428	4.5
117.07006	17.4
119.08581	30.4
121.06543	4.0
121.10157	21.3
123.08126	3.4
127.03926	24.5
128.06255	2.9
129.05534	2.8
129.06993	14.6
131.08553	25.4
132.55867	2.6
133.06456	3.3
133.10121	26.6
135.11693	13.8
137.09618	2.5
141.07028	6.3
143.08534	10.5
145.04968	18.9
145.10083	22.5
147.11684	18.0
149.09619	6.6
149.13249	9.7
155.08585	5.4
157.10086	13.3
159.08034	2.7
159.11700	17.8
161.09636	4.8
161.13295	12.9
163.06013	8.4
163.11082	4.0
163.14731	3.2
167.08504	3.4
169.10120	6.6
171.11630	16.0
173.09637	3.7
173.13298	11.1
175.11197	4.7
175.14854	3.6
177.09177	3.2
179.08546	4.4
181.10083	5.6
183.11682	6.6
185.09634	4.2
185.13243	7.2
193.10150	3.0
193.12321	3.8
199.11331	3.1
209.09648	3.5
209.11610	3.2
231.21156	4.1
241.19563	10.3
259.20508	20.3
272.48154	3.1
275.20126	5.6
277.21503	6.0
295.16687	2.9
301.21561	7.1
313.21570	5.4
321.22177	3.4
325.21771	4.9
331.22827	3.7
333.24207	30.1
349.21375	3.3
363.25253	3.8
367.22537	14.7
375.25491	5.5
385.23636	5.4
392.33578	2.7
403.24902	4.1
417.26331	4.7
421.47101	3.2
441.26215	12.8
459.27411	10.8
477.28625	15.0
495.29443	9.7
637.20087	3.2
657.34479	5.7
657.43732	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67449	1.1
50.96897	1.2
54.29471	1.2
70.88302	2.9
113.87412	1.3
115.36464	1.5
131.07265	1.6
140.16524	1.2
148.31155	1.7
209.10820	2.0
213.10374	1.6
221.10760	1.7
223.12349	2.1
234.11508	1.5
236.13208	1.6
249.13866	2.6
261.13782	2.2
263.11902	1.8
273.13870	3.2
274.13583	1.9
275.15329	1.5
286.13568	1.4
287.15231	2.3
288.16068	2.7
314.16464	1.7
318.16031	2.1
326.16168	2.7
328.18167	1.8
337.15320	1.9
338.16650	2.6
340.18115	2.6
341.19003	1.5
342.19586	1.6
343.72772	1.3
350.16489	2.4
353.18524	2.1
354.19601	2.4
362.16418	2.5
363.16455	2.7
364.17673	3.0
365.17804	4.9
366.19281	2.1
375.16595	3.0
376.17889	1.8
377.17581	6.0
378.18997	2.7
379.19342	7.3
381.20718	1.9
389.17877	2.0
391.19489	7.9
392.20193	4.2
393.16956	4.7
393.20926	4.1
394.17465	2.1
395.18488	3.2
405.20950	3.6
406.21930	2.2
407.17877	3.0
407.23007	6.2
408.19067	6.7
409.20108	7.8
417.17145	3.0
419.18460	2.8
421.19708	7.2
422.20901	5.3
423.21893	23.7
424.22107	3.1
431.18881	2.7
433.20242	3.4
434.21301	2.8
435.22037	12.6
436.23047	7.1
437.23959	6.4
446.20865	4.4
447.21756	3.7
449.23306	6.3
450.24564	1.9
451.20706	7.8
452.22122	2.5
453.22141	1.8
454.20139	5.9
456.22830	2.0
461.23578	8.7
462.20792	1.9
463.21497	4.3
464.22165	4.8
465.23367	6.3
466.23358	2.4
467.24747	6.3
468.24646	5.0
476.22083	2.1
477.23065	9.5
478.23523	5.2
479.25284	10.1
481.22284	4.3
482.23090	2.3
491.20651	3.0
493.22388	8.7
494.26367	5.4
495.23431	18.4
496.24588	8.1
505.21930	2.8
507.23395	2.8
508.24960	19.4
509.25613	18.3
510.26270	15.3
511.27322	17.5
521.25775	10.0
522.25867	5.6
523.23352	9.5
524.23199	1.9
526.29401	1.8
537.25031	28.7
538.25720	11.2
549.24811	1.9
551.22711	3.5
553.28680	11.8
554.27203	1.6
555.26160	4.6
565.24292	5.0
566.24597	2.4
570.28070	7.6
581.27527	31.0
582.26636	4.6
583.25366	8.8
596.27417	2.2
597.27039	59.5
598.27576	13.9
613.30139	77.3
614.30432	4.6
625.26544	100.0
626.27020	7.1
657.28925	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78656	2.3
70.79021	2.4
77.88605	1.1
129.65727	1.2
303.79477	1.5
389.18112	1.6
405.20560	1.4
427.19003	2.9
436.75668	1.3
441.18771	4.7
449.15424	1.8
451.44977	1.2
463.16861	2.1
477.18677	2.9
478.19162	2.2
487.21039	1.7
491.19510	1.5
492.20795	4.0
493.17758	5.4
505.17682	1.4
506.18292	3.2
510.17538	1.8
519.19635	8.8
520.16492	2.7
523.19006	2.3
533.16754	1.8
537.20538	3.2
551.21985	5.4
563.21710	2.8
579.21521	40.2
580.21436	2.8
607.20972	15.4
621.27277	1.8
639.23615	100.0
640.24054	7.2
657.14496	1.7
657.24744	29.7
658.25092	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01859	0.6
55.05507	3.6
57.03434	4.8
57.07067	41.7
61.02923	7.9
67.05496	11.1
69.03414	1.0
69.07059	7.8
70.93192	1.6
70.93542	0.6
71.08619	31.6
73.02901	3.5
75.04454	2.5
79.05480	2.1
81.03403	1.7
81.07047	14.2
83.04961	0.8
83.08154	1.1
83.08607	10.6
85.02888	9.6
85.06531	0.9
85.10170	16.8
85.10677	1.1
89.06033	0.9
91.03935	9.2
91.05467	1.1
93.07029	1.9
95.04945	0.7
95.08594	20.7
97.02871	4.3
97.10149	6.1
99.11710	1.7
103.07611	0.7
105.07029	1.2
107.04961	0.6
109.10137	11.8
111.11691	1.6
119.08552	1.4
121.10114	0.6
123.11681	4.7
125.13287	1.0
127.03884	3.3
131.10593	0.6
133.10098	0.8
137.13260	2.1
145.04956	5.0
145.06018	0.7
151.14766	1.4
163.06029	4.9
221.22588	1.0
238.26749	0.6
239.23663	28.3
240.23943	0.9
257.24646	3.4
273.18454	0.7
298.27234	1.0
313.27319	100.0
314.27634	4.5
331.28333	13.3
332.28891	0.8
341.26575	0.7
447.21808	1.0
475.21399	1.1
475.32495	2.4
489.22867	1.5
548.23560	0.7
549.24133	1.0
562.21692	0.9
563.22235	0.9
577.24408	12.9
578.24347	2.9
595.24762	1.6
605.23639	1.4
623.24542	2.0
637.26343	3.7
655.27136	8.5
655.43610	2.8
656.27527	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	0.3
69.86124	0.5
69.86555	0.8
75.04465	0.3
89.85891	0.2
90.41224	0.2
91.05481	0.2
98.21358	0.2
140.51843	0.2
148.11189	0.2
180.57515	0.2
210.61964	0.2
239.11899	0.2
358.15198	0.2
377.17737	0.8
378.18707	0.2
379.19281	0.4
390.18622	0.5
391.15009	0.2
391.19226	1.3
392.20035	0.7
393.20883	0.5
393.87082	0.2
402.00281	0.2
405.16333	1.7
405.20990	0.9
406.17651	0.6
406.21680	0.6
407.17535	0.2
407.22342	4.6
408.22989	0.4
418.17804	0.8
419.18039	3.2
419.22552	0.7
420.18713	1.6
420.24185	0.3
421.19946	1.6
431.18484	0.3
432.19608	0.3
433.20673	5.3
434.15594	0.3
434.20984	4.7
435.21796	8.0
436.22540	0.9
446.20987	0.4
447.17651	1.3
447.22046	2.1
448.18713	1.1
448.23111	0.8
449.19183	1.7
451.21075	0.3
461.19278	1.1
461.23700	1.1
462.20178	4.4
463.21255	4.3
464.21945	0.3
465.22964	0.4
466.24002	0.3
474.20612	0.3
475.21201	1.6
476.22110	1.2
477.22891	1.5
478.23544	0.6
479.19791	1.0
481.26425	0.4
482.27005	0.3
489.22961	1.1
490.23715	0.7
491.21088	0.2
491.24066	0.2
492.21039	0.2
493.21249	0.9
493.26810	0.4
494.23010	0.6
495.23611	1.2
505.21652	0.3
506.23026	0.3
507.20221	0.6
507.24313	0.7
508.24481	1.7
509.25461	1.6
521.25549	11.3
522.25800	0.4
525.24939	0.2
535.26837	0.7
540.26050	0.2
547.26880	0.3
549.24884	18.4
550.25629	1.1
553.24585	0.7
563.26422	2.9
564.27185	0.7
567.26416	0.4
577.24738	0.5
580.26306	0.3
581.27594	3.8
595.29218	8.4
596.29596	0.4
607.29340	0.3
609.27014	10.9
610.27106	0.2
623.28583	1.2
627.31018	0.3
655.31128	100.0
656.31494	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2755
Annotation	Cryptophycin 1
Peak:m/z	Relative Intensity
55.05495	0.2
67.05486	0.5
69.07071	0.3
70.94078	0.5
70.94428	0.4
79.05499	0.6
81.03403	0.2
81.07058	0.5
81.89572	0.2
91.05508	0.4
93.07039	0.4
95.08624	0.3
105.07022	0.3
108.08102	0.3
109.23997	0.2
119.08566	0.3
120.08092	0.3
172.03851	0.3
185.10677	0.2
224.09654	0.2
225.10185	0.4
225.60706	0.2
234.65643	0.2
237.10216	0.6
249.10333	0.3
300.11633	0.3
314.12744	0.3
326.12906	0.2
327.14020	0.3
328.14285	0.2
363.16290	0.5
364.16858	0.2
365.17749	0.4
371.99918	0.2
375.15942	0.5
376.17059	0.4
377.17621	1.3
378.18616	0.5
379.19305	1.7
381.20786	0.4
389.17615	0.4
390.18478	0.3
391.15442	0.7
391.19720	1.5
392.16171	0.7
392.20328	0.6
393.16666	0.2
393.20786	3.2
394.21469	0.5
395.22501	0.4
403.19684	0.5
404.15793	0.6
405.16702	2.3
405.21466	0.5
406.17203	1.4
406.22229	0.5
407.18442	3.6
408.19226	0.3
409.20291	0.7
418.17892	0.7
419.18610	3.7
420.15295	0.3
420.19510	3.0
421.20282	5.9
421.25299	0.4
422.21097	1.0
429.16830	0.3
431.18433	0.3
433.15842	0.7
433.21143	1.9
434.16141	0.3
434.21915	1.1
435.17661	5.0
436.18268	0.4
437.19479	0.5
443.18616	0.5
444.19855	0.4
445.20218	1.0
446.21674	0.3
447.18091	1.3
447.22501	0.7
448.18515	1.7
449.19659	4.3
450.20544	2.1
453.22815	0.2
461.19626	1.4
462.20532	1.2
463.17172	6.3
465.18375	0.4
467.20795	0.7
472.18924	0.4
473.19812	0.9
475.21851	1.1
476.18594	0.8
477.18393	1.6
478.19748	1.8
479.20972	0.8
480.21103	1.3
481.22406	0.8
489.19092	0.3
490.19946	1.0
491.20679	1.7
493.22476	1.4
495.20096	0.5
503.20807	1.0
504.21686	0.5
505.22562	0.4
507.24307	5.3
508.21597	0.8
509.22089	1.2
517.23022	0.4
519.23871	0.3
521.21326	2.7
522.22363	0.4
523.22937	0.4
525.21332	0.3
531.23749	0.5
533.22321	0.3
535.23407	3.9
536.23834	0.7
537.24884	0.8
549.24225	2.2
551.22473	0.2
553.24030	0.4
559.23395	0.7
563.22919	0.9
564.23633	0.3
565.24359	0.3
566.74902	0.3
567.25970	6.3
568.26227	0.3
577.24420	3.6
581.23895	0.9
595.25500	9.0
596.25885	0.9
605.23682	0.4
609.23474	1.2
619.25562	0.7
623.24750	0.8
624.25769	0.3
627.28033	1.6
637.26587	0.7
655.27563	100.0
656.27856	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2753
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
53.93131	0.3
59.31805	0.3
67.05498	0.9
70.57660	1.1
71.76414	0.3
79.05473	0.7
81.07050	1.0
88.07325	0.3
90.58835	0.3
91.05470	0.5
93.06997	0.6
95.08627	0.4
103.99701	0.3
105.07034	0.5
107.08665	0.3
114.10056	0.3
119.08580	0.6
131.08511	0.4
133.10162	0.5
144.61505	0.3
163.07593	0.3
225.10202	0.5
227.12120	0.4
239.11559	0.4
273.18530	0.4
340.14288	0.4
372.46536	0.4
376.17142	0.6
377.17627	1.0
378.18433	0.5
379.19247	0.7
389.17764	0.3
390.18546	0.8
391.19379	2.6
392.19989	1.2
393.20819	1.4
403.19510	0.9
404.16241	0.9
404.20578	0.5
405.16290	2.4
405.20969	1.3
406.17407	0.6
406.21994	0.6
407.22485	3.9
408.23264	0.5
417.16754	0.6
418.17892	1.2
419.18195	5.0
419.23459	0.7
420.19333	2.2
421.20108	2.7
431.18671	0.7
432.19470	0.7
433.20407	9.7
434.21042	6.4
435.21796	7.3
436.22464	0.5
445.20407	0.4
447.17883	1.6
447.22180	1.8
448.18683	0.7
449.19772	2.1
451.21777	0.6
459.22177	0.4
461.18942	1.9
462.20267	3.0
463.21243	3.8
464.22043	0.5
465.18558	1.9
475.21851	1.6
477.18903	0.4
479.20538	0.6
489.23233	0.8
490.20291	0.6
491.20465	1.7
493.22562	1.3
495.20294	0.5
503.20767	0.7
505.22156	0.8
506.23203	0.4
507.21045	0.5
507.23721	0.5
508.21051	0.7
517.22430	0.8
520.24731	1.1
521.25757	8.9
522.25201	0.5
523.26782	0.4
544.31732	0.4
548.24005	0.9
549.24957	11.9
550.25232	0.9
551.22980	0.5
552.23834	0.9
565.24451	1.5
577.24390	7.9
579.22845	0.7
580.26752	1.3
581.27802	1.9
595.25360	5.3
605.23804	1.4
609.27014	2.4
611.24927	0.5
612.23151	0.4
623.24890	0.7
637.26453	8.3
655.27563	100.0
656.27753	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
64.68877	0.7
70.40327	2.6
81.03412	0.8
81.07026	1.0
120.08076	1.0
138.19218	0.7
143.08533	0.8
143.82802	0.7
153.00418	0.7
156.08107	0.9
159.34399	0.8
175.52768	0.7
183.09128	0.8
184.66002	0.9
204.06570	0.9
209.10730	1.7
210.11467	1.6
221.10750	1.6
223.12305	2.4
224.13008	1.6
225.13823	3.9
226.14601	1.1
234.11555	0.8
235.08626	1.4
237.10190	1.3
237.13817	3.1
247.12276	1.2
249.10336	2.0
249.13910	2.0
251.08243	0.9
261.13943	0.7
273.13934	0.7
276.16455	0.9
277.09769	1.7
337.11899	1.3
338.12827	1.6
340.14606	1.0
351.13858	0.8
352.14325	1.2
366.16251	1.7
387.16086	0.8
394.15552	1.0
401.17853	1.5
402.18796	1.4
407.22263	1.0
415.15378	1.1
416.16074	1.5
417.21161	1.4
429.17163	3.3
430.17612	0.9
431.18518	2.7
431.23279	1.2
432.18835	0.9
433.20151	1.2
443.18668	2.4
444.19244	1.5
445.20322	3.4
446.20883	2.6
447.21866	3.8
454.17703	1.6
458.21387	1.0
459.22375	6.2
460.22485	2.0
471.17871	1.2
472.18762	1.8
473.23950	1.7
474.19910	1.2
475.21292	2.7
487.21286	10.1
488.21887	1.4
501.22995	3.7
502.19974	1.2
503.20297	1.7
504.62024	0.8
515.20966	2.5
519.23511	3.7
529.22186	3.1
530.88171	0.8
533.25623	3.5
534.22742	2.0
547.23755	2.2
561.24908	100.0
562.25214	5.6
575.26569	1.1
589.24396	10.0
621.27008	91.6
622.27094	6.0
653.33063	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
71.75935	2.3
72.57206	2.3
78.33943	2.3
95.15256	2.1
154.12334	2.2
219.50061	2.4
237.14047	2.5
249.10300	3.0
263.12024	2.2
275.23050	2.4
337.11960	3.7
348.71951	2.7
390.74573	2.7
415.15512	3.1
428.16650	2.5
430.17798	3.1
431.18539	3.3
445.20590	2.9
446.20795	5.8
447.21857	4.6
459.22391	4.8
473.19662	3.1
487.21066	10.1
501.23026	5.5
519.23962	4.2
529.22510	3.2
533.25128	4.7
561.24963	100.0
562.24963	4.5
574.99066	2.5
589.24384	6.3
603.22711	11.3
621.27039	92.2
622.26880	5.9
653.27594	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2964
Annotation	Haplophytine
Peak:m/z	Relative Intensity
70.88049	1.0
70.88399	1.5
88.14321	0.6
89.84081	0.7
123.29836	0.7
141.69841	0.8
197.03731	0.7
198.29631	0.7
219.94534	0.7
221.10605	1.0
223.12282	0.9
298.13577	1.0
300.14948	1.0
314.16290	0.9
326.16351	1.0
375.16202	1.0
379.20273	0.9
386.18738	1.0
388.17514	0.7
389.17697	2.3
390.18268	2.5
391.19107	2.0
392.19983	0.8
403.19440	3.6
404.19937	6.4
405.20657	15.4
406.21127	1.5
414.21945	0.9
416.20056	2.0
417.21255	3.4
418.21417	2.2
419.22372	11.8
420.23019	5.9
421.23837	1.6
431.22736	2.1
432.23111	1.9
433.23798	9.3
434.18161	1.0
434.24655	4.3
435.18228	2.4
445.19754	1.4
446.24713	0.7
447.20715	4.9
448.19379	1.4
448.26343	1.6
449.19568	8.1
450.20242	3.5
458.16794	0.9
459.22064	1.4
461.19223	0.8
462.20712	1.6
463.21307	8.3
464.21909	4.8
465.22812	3.7
473.19263	1.2
474.21661	0.8
475.20840	3.7
476.21899	0.8
477.22943	5.4
478.23605	4.7
479.24374	41.3
480.24551	2.8
487.21191	6.0
488.21985	0.9
491.20343	2.2
491.24576	3.4
492.25003	2.8
493.25772	2.2
501.23190	4.8
502.23331	1.9
505.26257	1.0
506.27075	1.6
507.27493	25.9
519.23688	4.0
533.25598	5.9
535.22986	0.9
536.23505	1.6
537.24945	13.6
549.21619	1.0
550.25824	1.1
551.26495	37.8
552.26947	1.6
561.25000	7.9
563.22955	1.9
565.28021	21.9
566.28815	100.0
567.29321	3.3
593.27588	15.2
603.26080	0.9
621.26996	18.0
625.30493	1.0
635.28815	3.3
638.27020	1.1
653.29626	92.4
654.30023	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82051	0.5
70.10913	2.9
74.91972	0.6
82.02999	0.6
85.10835	0.6
98.20782	1.2
118.06520	1.3
120.08105	0.9
138.05522	0.8
146.06056	0.6
152.52017	0.6
158.09616	0.9
195.09157	0.8
196.09953	1.3
197.10782	0.7
207.09175	0.6
208.09970	1.1
209.10736	3.0
210.11545	1.9
211.12245	1.6
212.19785	0.6
220.10023	0.7
221.10852	1.0
222.11574	1.1
223.12314	2.8
224.13132	1.0
225.13857	3.3
235.08713	1.4
235.12323	1.4
237.10133	1.7
237.13925	3.0
238.14543	0.8
239.15424	1.6
244.54257	0.7
247.12183	0.7
249.10182	3.3
249.13895	1.4
251.08167	1.0
251.11829	1.0
265.09879	1.1
265.13333	1.1
270.13660	0.8
275.15497	1.4
277.09610	1.4
310.13339	0.7
314.13126	0.9
326.12805	1.4
337.12006	2.1
338.12766	1.4
340.10812	0.9
351.13519	1.0
352.14520	1.6
366.16025	1.7
367.13281	0.9
387.15897	1.3
388.16833	0.8
389.17630	0.7
394.15173	1.1
396.13599	1.8
401.17633	1.5
402.18643	1.2
403.19440	1.1
414.14627	1.2
415.19745	0.9
416.16122	1.0
417.16394	1.2
417.21466	1.3
426.18121	1.0
429.16989	4.6
430.17932	2.1
431.18027	3.8
432.19589	1.1
443.18646	2.5
444.19571	2.3
445.20270	4.5
446.20520	3.9
447.21899	3.2
454.17639	1.2
457.16064	1.1
458.21304	1.0
459.22421	6.1
460.22794	1.1
471.18369	1.4
472.18912	2.1
473.23743	1.3
474.19980	0.9
475.21371	2.9
486.20401	0.9
487.21301	10.9
488.22461	0.9
501.22870	4.3
502.21194	0.9
503.20840	1.4
515.20734	3.0
519.23853	2.9
529.22150	3.4
531.20142	1.3
533.25775	4.5
534.22473	1.9
547.23273	2.1
561.24939	100.0
562.25293	5.6
589.24603	9.1
593.26953	1.0
621.27045	84.2
622.27393	2.6
653.29388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09457	0.5
59.69161	0.5
71.62804	0.7
82.52280	0.5
102.54198	0.5
112.16194	0.5
129.74837	0.5
138.98965	0.5
209.10959	0.6
273.83762	0.5
376.16855	0.7
377.17487	1.4
389.18094	1.2
390.18585	1.8
391.19214	5.6
392.19940	2.9
403.19528	0.8
404.20291	1.7
405.20718	10.1
406.21497	6.4
407.22415	0.9
417.20868	0.8
419.22495	3.2
420.23019	6.8
421.17767	0.9
421.23834	9.8
433.19376	3.6
434.24631	1.6
435.18243	1.6
436.19022	2.4
445.20358	1.6
447.21564	1.2
449.19836	1.4
449.27557	0.7
450.20450	2.6
451.21594	0.8
452.22171	2.1
453.23535	0.7
459.18079	0.8
460.22687	1.5
461.23163	1.0
463.21497	0.9
464.22067	0.6
465.22876	31.7
466.23587	1.4
473.19882	2.4
475.25436	1.2
479.24194	5.8
480.25256	3.2
487.21780	1.4
488.21960	4.6
491.20654	1.4
492.21680	2.3
501.22998	1.4
503.24408	37.7
504.25021	1.6
505.21960	0.7
507.27698	2.8
533.25549	1.3
535.27032	35.4
536.27380	1.0
551.26379	3.8
561.24847	2.9
566.29211	1.2
579.25983	33.1
580.26654	1.8
593.28046	2.4
594.28302	25.2
621.27026	28.7
622.27246	1.0
653.29663	100.0
654.29712	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
66.71030	0.9
67.02935	0.8
67.05497	1.1
69.39987	1.5
69.40395	8.8
83.53068	0.8
97.05373	0.9
97.89432	0.9
115.29451	0.9
120.08073	1.6
122.72201	0.9
159.55110	0.9
183.41550	0.9
187.02559	1.0
207.09044	1.2
209.10614	2.6
221.10670	1.9
222.11472	1.4
223.12263	2.4
224.12708	0.9
225.13849	4.0
226.14638	1.5
235.12297	1.3
237.10161	1.3
237.13818	2.3
239.15422	1.8
249.10118	2.8
250.10919	1.0
277.09729	1.6
337.11935	1.8
338.12622	1.5
366.16174	1.6
387.16119	1.4
401.17542	1.1
402.18665	1.4
416.15973	1.1
429.17044	4.0
430.17862	1.5
431.18176	1.9
443.18643	1.8
445.20294	4.6
446.20816	4.3
447.21838	3.9
454.17111	1.1
459.22385	5.0
471.18085	1.2
472.18848	2.0
474.20074	1.4
475.21039	3.3
487.21506	10.9
488.21713	2.0
501.23178	4.6
503.20840	1.6
504.21204	1.1
515.21027	2.2
519.23529	2.7
529.22211	3.4
531.19513	1.4
533.25165	3.9
534.22711	2.7
535.23364	1.1
547.23199	3.5
561.24878	100.0
562.25232	8.9
589.24304	9.2
593.26929	1.3
621.26947	78.7
622.27026	4.7
653.29236	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2805
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
50.84741	0.9
55.05495	0.9
65.29003	1.0
67.05491	1.4
69.03398	1.2
79.05472	1.3
81.07051	1.8
93.07003	1.4
95.04879	1.2
95.08595	2.0
105.74574	0.9
138.78117	0.9
387.16626	1.1
391.19122	1.9
392.19843	1.4
398.15320	1.0
399.15997	1.7
400.16962	3.3
401.17538	3.9
407.22021	3.7
413.17682	4.5
414.18518	6.2
415.19266	10.3
416.20538	1.4
425.17688	1.4
427.19385	2.0
428.19864	2.8
429.21298	8.3
430.21774	1.4
431.18201	1.7
435.21597	2.2
439.18872	1.6
441.16934	2.7
442.17740	2.9
443.17801	3.4
443.22357	4.7
444.19519	4.3
445.20145	2.6
455.18704	1.5
456.19574	2.3
457.20245	5.5
458.20895	4.3
471.22510	7.4
472.23132	5.7
473.19321	5.9
474.20453	1.1
484.18506	1.5
485.19202	3.9
486.20242	7.1
487.21341	1.7
489.23181	1.2
490.19846	2.7
499.21313	9.7
500.21658	3.7
502.19431	1.3
503.23975	3.8
510.83130	1.2
516.21313	2.2
517.22290	7.3
527.20276	1.9
528.21021	1.4
531.10541	1.1
531.23901	16.1
543.23621	1.3
545.31226	1.1
549.24597	6.1
559.23328	100.0
560.23468	4.4
587.22754	17.0
591.25610	2.7
619.25439	90.2
620.25427	2.2
651.27972	17.8
651.39777	1.6
651.43329	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	16.7
55.01848	7.3
55.05501	34.7
57.03411	8.0
57.07085	6.7
65.03913	6.4
67.05492	100.0
69.03156	5.3
69.03425	50.0
69.07053	24.7
69.53054	44.2
71.04984	9.5
79.05482	77.2
80.04982	6.5
81.03407	74.6
81.07038	94.9
83.04967	9.5
83.08611	13.7
85.02895	35.0
85.06518	9.1
91.05460	59.2
93.07030	89.5
95.04955	19.9
95.08601	71.8
97.02882	53.4
97.06463	6.0
99.04436	10.3
103.03952	6.3
105.07016	55.9
107.04939	8.8
107.08573	57.4
108.04487	29.2
109.02869	26.1
109.10146	46.3
111.04453	10.3
111.08102	6.8
117.06998	35.8
119.04911	8.6
119.08563	44.2
121.10139	48.9
122.24550	5.6
123.08143	6.8
123.11688	14.2
127.03923	16.4
128.06244	5.4
129.07002	11.4
130.07755	7.1
131.08545	49.7
133.10089	31.3
135.08058	6.0
135.11700	28.7
137.05978	11.2
142.07890	8.5
143.08540	11.5
145.10068	38.7
147.11690	30.0
149.13251	15.8
151.07574	8.2
155.03374	15.0
157.10088	15.4
159.11703	27.7
161.13242	19.4
163.14807	10.8
170.05710	50.0
171.11655	10.0
173.13289	28.9
175.11057	6.1
179.06953	6.1
179.08440	6.1
183.11595	8.7
184.07294	13.7
185.13094	9.0
187.14688	8.1
197.13168	6.4
201.12592	5.4
211.09612	36.5
243.21066	15.7
259.20660	10.2
261.22238	30.1
277.21585	13.7
289.21509	8.1
291.22940	9.0
301.21631	6.4
303.23184	12.5
315.23218	7.2
341.24792	9.7
351.23062	9.4
369.24094	25.6
387.25253	28.4
388.28391	5.7
405.26062	14.3
485.53760	7.2
595.79016	7.6
600.48157	6.3
650.42834	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01860	3.1
55.05508	17.2
57.03426	9.3
57.07062	9.8
61.02922	27.5
65.03939	3.6
67.05501	95.5
69.03413	9.2
69.07061	16.7
71.04980	8.6
71.14136	2.8
71.14474	4.6
73.02901	10.7
73.83305	2.6
79.05485	74.2
81.03405	7.8
81.07049	100.0
83.04964	3.6
83.08600	10.6
85.02900	32.0
85.06525	7.4
91.03943	30.1
91.05474	46.7
91.53196	2.3
93.07035	92.1
95.04955	17.0
95.08595	71.4
97.02886	15.6
97.06526	12.0
97.10148	3.8
99.04414	3.1
99.08082	10.9
105.07029	36.2
107.08585	62.6
109.06518	7.2
109.10143	44.6
111.08064	4.7
113.09592	5.6
117.06997	18.5
119.08567	36.5
121.06470	4.4
121.10134	63.5
122.10547	2.4
123.08047	8.9
123.11687	25.5
125.09628	6.7
127.03891	10.7
129.06982	5.6
131.08557	46.0
133.06500	2.6
133.10110	37.7
135.08057	8.6
135.11678	71.2
137.09621	5.6
137.13281	3.9
139.11272	3.7
142.07780	3.2
143.08492	4.9
145.04953	11.2
145.10117	41.0
147.08044	5.5
147.11632	22.7
149.09622	10.7
149.13255	33.4
151.07526	7.7
151.11137	7.7
155.08563	2.6
157.10164	5.0
159.11732	24.5
161.09706	3.2
161.13266	8.9
163.05972	13.8
163.11243	3.8
163.35826	2.4
165.09070	5.9
165.12811	2.5
167.10629	6.2
171.11598	3.9
173.13243	22.4
175.11180	2.6
175.14844	3.3
177.12732	3.9
181.12210	3.5
185.13144	4.2
187.11200	3.1
187.14825	8.6
189.12695	2.7
189.16399	5.2
193.04942	2.8
205.15811	5.6
205.19484	12.1
215.17926	95.6
221.15417	4.0
233.15285	6.0
233.18987	88.3
235.20625	3.1
251.20105	4.6
258.73868	2.4
273.33255	2.6
298.54456	2.9
307.22653	33.0
325.23703	28.2
458.53528	2.9
469.27835	9.9
631.39337	4.6
649.39996	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3013
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
56.36933	1.8
57.50730	1.7
59.66236	1.5
65.92341	1.7
67.21807	1.6
69.07064	2.5
70.34872	7.9
77.70383	1.5
78.28829	1.8
98.29201	1.8
103.00830	1.6
245.80179	1.8
403.19540	2.6
417.20850	2.1
431.18146	3.3
445.20236	6.4
446.20444	2.2
459.21997	5.4
460.22641	4.3
461.23343	4.1
473.19653	5.6
487.21234	4.4
494.78806	2.1
501.22919	1.8
502.23590	4.3
503.24765	6.3
547.27472	11.8
561.24725	2.4
589.27893	19.9
649.30151	100.0
650.30475	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19271	0.3
63.11023	0.4
64.29205	0.3
66.01637	0.3
70.06574	0.9
70.85423	0.4
70.85766	0.8
72.08134	0.5
120.08114	0.4
185.04309	0.3
188.15332	0.3
200.01825	0.3
203.05243	1.7
220.81665	0.3
226.60698	0.3
259.07990	1.9
269.05679	0.4
269.12363	1.5
301.11789	0.4
325.16183	2.3
347.09409	0.8
365.10342	2.4
421.13052	0.9
461.20148	0.3
487.21475	22.0
488.22028	0.8
593.37744	0.4
640.40582	0.4
649.26703	100.0
650.26971	4.9
657.10394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52831	2.3
52.86166	2.5
53.03933	7.8
55.01856	8.3
55.05507	26.7
56.09398	2.1
57.03425	9.4
57.07061	4.5
60.98804	2.3
62.42862	2.7
65.03919	7.1
66.29084	2.5
66.69383	2.7
67.05126	4.5
67.05492	80.6
69.03419	38.6
69.07066	29.3
70.19987	5.5
70.20366	5.1
71.04986	8.5
75.04455	6.3
79.05483	82.0
81.03408	28.3
81.07047	100.0
83.04977	13.0
83.08611	17.1
85.02885	6.5
85.06535	7.7
87.04468	4.1
91.05466	70.8
93.07035	81.1
95.04961	26.6
95.08595	43.4
97.02886	8.9
97.06497	13.6
97.10149	7.1
99.04419	4.1
99.08072	5.0
105.04475	3.0
105.07030	44.1
107.04935	6.8
107.08568	31.2
109.02886	6.9
109.06487	12.0
109.10162	14.0
111.04419	8.4
111.08023	8.1
117.07003	23.8
119.08566	29.0
120.41534	2.5
121.06493	8.7
121.10128	28.7
123.08046	6.9
123.11687	8.9
127.03916	4.5
128.06189	4.8
129.07007	17.8
131.08537	32.2
133.06480	6.8
133.10117	33.8
135.08044	10.0
135.11684	18.5
137.09578	6.6
139.11143	3.8
141.06972	5.0
142.07709	3.9
143.08524	13.7
145.06479	4.9
145.10068	18.5
147.07985	7.8
147.11670	18.0
149.09604	11.5
149.13232	13.7
151.11098	4.5
155.08507	7.9
157.06439	3.7
157.10135	13.7
159.08044	4.2
159.11653	20.7
161.09575	6.7
161.13232	5.3
163.11121	3.4
165.12743	4.6
169.10074	10.2
171.11690	9.9
173.09616	5.9
173.13257	9.3
175.11215	5.2
175.14906	3.3
177.12715	6.0
181.10077	5.5
183.11670	6.5
185.13181	9.2
187.11110	3.6
189.12680	5.8
193.12198	3.7
195.13814	12.8
197.13268	7.6
199.14795	4.1
201.12857	3.3
207.11705	3.1
209.13232	3.9
211.14821	3.7
213.16370	4.6
215.17859	7.1
221.13287	4.6
225.16330	3.4
249.18517	4.0
255.17320	3.5
269.17508	14.6
273.18454	4.4
275.20099	4.3
291.19391	3.9
317.20956	4.0
323.19916	4.6
339.17914	4.1
341.21011	8.9
359.22180	6.8
433.26071	5.8
494.40186	3.0
501.35205	4.9
547.39331	3.4
572.97400	2.9
609.37006	4.9
627.38300	6.4
640.66058	3.1
645.39459	44.7
646.39813	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.1
55.05504	2.7
59.36835	1.7
65.03953	2.4
67.05505	10.0
68.97048	1.7
69.07056	3.6
71.05019	1.7
71.05434	4.6
79.05487	11.0
81.03413	10.8
81.07045	18.5
83.04969	2.3
85.02897	4.3
91.05480	12.5
91.92621	1.8
93.07028	9.3
94.06542	4.4
95.04955	5.6
95.08558	3.8
96.04486	3.5
97.06514	5.0
103.05509	1.9
105.07009	7.3
106.06538	4.5
107.04922	2.1
107.07320	7.5
107.08582	4.7
108.08115	5.0
109.10170	4.2
119.08549	5.8
120.04421	2.4
120.08067	3.0
120.87034	1.8
121.10159	2.7
122.05999	8.2
122.09652	72.5
122.30308	1.7
124.03929	3.0
129.06966	2.4
131.08507	2.5
133.10124	2.1
134.05994	17.8
136.07556	13.9
138.05495	25.8
145.10144	2.2
146.06032	2.2
146.09608	1.9
147.11688	2.1
148.07556	3.3
150.09126	3.3
154.04974	6.8
157.10146	1.7
159.04451	1.8
161.02315	2.3
162.05486	58.2
163.03877	6.4
164.07095	6.6
164.10690	37.0
166.08647	8.4
172.03912	3.2
173.02327	4.2
175.11311	2.1
178.08592	2.7
186.66231	1.8
187.03874	3.4
189.14020	2.1
197.10732	4.2
199.03996	1.8
204.06496	2.6
206.08105	1.8
210.07869	2.6
210.11597	3.1
211.12144	3.2
213.05447	2.4
217.13297	17.2
222.11508	2.6
223.08653	9.5
223.12267	3.7
225.10208	35.3
226.10767	3.1
227.11714	2.2
235.08643	5.2
235.12486	2.2
236.09409	6.6
237.10240	16.2
237.13866	3.4
238.10934	8.5
239.11876	9.4
240.08812	2.3
240.12524	2.2
248.09262	4.0
249.10190	13.8
250.10994	16.2
251.08093	11.6
251.11758	31.1
252.12534	6.2
253.09824	8.6
253.13361	5.8
257.12680	2.2
262.10944	2.5
263.11789	40.3
264.12445	8.4
265.09720	7.8
265.13336	29.4
266.10593	2.4
266.14059	5.8
267.11218	6.3
267.14136	2.1
269.12796	5.9
271.10703	3.7
275.11768	2.4
277.09845	3.1
278.10373	5.9
279.11203	23.2
280.11914	3.5
281.09439	3.7
281.12827	18.4
283.10660	13.3
284.11792	2.1
285.12280	3.9
287.13846	8.1
291.11292	12.6
292.11856	3.2
293.12866	10.9
295.10687	5.5
296.11572	18.8
297.12265	21.5
298.12936	5.4
299.10205	25.0
299.13422	3.5
307.10654	6.6
309.12292	62.6
310.12949	3.9
311.13870	30.9
317.11304	25.2
319.10849	5.0
321.12415	3.0
325.11792	9.7
327.13278	7.3
337.11624	24.0
338.12466	7.5
339.13385	10.5
341.14938	7.0
353.15134	2.6
355.12958	2.8
357.14441	16.0
359.16013	2.1
362.15173	3.5
369.14432	100.0
370.14938	7.1
371.15967	40.6
373.13620	2.0
380.15979	7.3
388.16315	2.5
412.16269	3.7
432.19443	4.1
446.20605	4.7
450.16226	2.8
458.17438	2.1
460.18573	7.0
462.16580	29.0
466.19455	6.4
477.22070	4.0
478.22757	7.8
480.17761	2.3
482.19162	4.1
486.16422	7.4
488.21295	2.0
492.21494	15.6
494.19168	68.6
504.17676	7.6
506.22861	3.0
518.19122	44.5
536.20282	34.1
555.18140	2.7
567.25653	2.6
573.19495	6.1
583.28467	2.7
595.25507	10.5
613.26428	29.2
627.28558	10.1
627.37103	2.2
645.21210	9.3
645.30743	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01997	0.3
53.03915	1.1
55.01868	1.6
55.05499	5.5
57.03424	4.8
58.42848	0.3
61.02607	0.5
61.02911	9.4
65.03895	0.4
67.05491	7.8
69.03416	2.8
69.07062	2.7
69.60815	1.8
69.61240	0.9
70.06566	1.3
71.04974	2.1
72.08138	0.3
73.02904	3.2
74.43690	0.4
75.04398	0.3
79.05479	9.2
81.03401	37.9
81.07040	9.8
83.04966	7.4
83.08600	13.9
84.04500	0.3
84.08107	0.7
85.02888	20.0
85.06517	0.7
86.09677	0.8
91.03938	7.7
91.05461	11.8
93.07022	6.6
95.04948	13.8
95.08598	3.2
97.02299	0.6
97.02872	6.3
97.06494	2.1
97.10144	1.7
99.04411	0.9
99.08077	0.5
103.03896	0.4
103.68361	0.3
105.07008	8.5
107.04930	3.3
107.08582	3.4
109.02843	0.5
109.06479	2.8
109.10110	1.0
111.04412	1.7
111.08065	6.4
113.05978	0.9
113.84467	0.4
115.03963	0.4
115.05440	0.6
117.05445	0.4
117.06964	0.5
119.04881	0.4
119.08559	9.1
120.13872	0.3
121.06488	0.6
121.10116	4.0
123.08037	1.0
123.11695	1.1
125.05923	0.3
125.09609	0.7
127.03893	3.4
127.07536	0.4
129.06979	5.0
131.08543	6.1
133.06474	1.8
133.10110	5.0
137.05948	0.6
137.09587	1.2
141.06952	0.4
142.07756	0.8
142.22197	0.4
145.04918	3.9
145.10117	0.9
147.08020	1.5
147.11659	8.5
149.09601	3.1
157.10106	8.7
163.05997	4.8
163.11142	0.6
165.12747	1.7
173.88815	0.4
175.11160	9.7
193.12207	36.8
194.12523	0.5
211.13251	31.3
229.14378	1.9
267.15872	17.1
267.18814	0.6
277.00247	0.4
285.16910	100.0
286.17294	1.7
303.17987	0.5
398.33478	0.3
411.20013	0.5
429.21158	1.1
447.22269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
55.01860	0.9
55.05504	5.3
57.03431	6.8
59.04982	0.6
61.02923	7.5
65.82602	0.4
67.05499	7.9
69.03423	2.9
69.07069	2.7
71.00351	0.6
71.00694	0.7
71.04989	2.3
73.02915	2.6
73.33320	0.4
73.57773	0.4
79.05486	8.0
81.03410	31.9
81.06598	0.8
81.07043	11.2
81.07526	0.6
83.04975	6.7
83.08611	13.6
84.04482	0.4
85.02895	18.8
85.06515	0.7
86.09686	0.6
91.03424	0.7
91.03946	7.3
91.04919	0.6
91.05474	11.1
93.07033	5.4
93.72810	0.5
95.04958	13.5
95.08591	4.2
95.20716	0.4
97.02879	5.9
97.06498	1.8
97.10152	1.3
99.08022	0.5
105.07021	9.2
107.04950	2.2
107.08591	3.1
109.06521	2.3
109.10133	1.2
111.04438	1.1
111.08072	5.9
113.05976	1.4
115.05424	0.6
117.07012	0.6
119.04926	0.5
119.08572	7.6
121.06523	0.4
121.10125	4.5
123.08028	1.2
123.11663	0.5
127.03871	2.4
129.06990	4.5
131.08545	5.4
133.06476	1.3
133.10123	5.5
135.07997	0.4
137.05879	0.5
137.09579	0.8
137.81023	0.4
142.07770	1.1
145.04913	2.3
145.10106	0.5
147.08017	1.3
147.11661	7.1
149.09610	2.8
151.11214	0.4
157.10129	6.4
163.05998	3.2
163.11174	0.5
165.12764	1.6
175.11159	8.6
193.12228	26.4
211.13263	19.4
244.53212	0.4
249.14949	0.6
267.15909	7.3
285.16934	100.0
286.17319	1.9
315.65900	0.4
404.02701	0.4
429.21158	2.0
447.22299	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54557	2.6
55.05497	9.8
57.03422	3.2
62.98032	2.6
66.60761	2.7
67.05486	23.9
69.03416	3.3
69.07046	7.4
70.81211	7.3
70.81564	5.9
71.08620	3.5
79.05489	22.1
80.84260	3.2
81.07038	25.9
83.08602	4.5
89.06059	3.0
91.05440	14.3
93.07011	17.8
95.04926	4.8
95.08589	17.2
98.21394	3.0
99.08085	3.3
105.07004	11.4
107.08581	13.5
109.10141	6.4
111.08082	3.1
117.06991	4.7
119.08556	9.4
121.10133	11.1
131.08540	3.5
133.10083	8.2
135.07994	4.1
135.11652	4.6
143.08562	4.3
145.10162	3.9
147.08160	2.7
147.11705	3.8
157.10065	5.8
161.09627	6.0
163.11111	3.8
179.14330	7.8
193.34944	3.1
273.18585	7.3
277.21402	5.7
291.19510	12.4
293.21011	4.7
335.13895	4.1
335.25723	9.9
338.16223	3.4
364.17685	3.0
365.23035	7.7
367.19086	4.2
392.19797	4.1
395.18283	4.0
408.19650	3.4
409.20068	9.6
421.20001	4.7
423.21799	10.5
435.22037	7.3
436.22678	5.9
452.22382	3.2
453.23090	3.6
461.23212	7.9
462.22382	4.1
464.21582	4.2
479.24231	8.6
481.22284	14.3
494.23199	10.2
496.24445	11.5
497.25327	10.4
509.21371	4.1
511.26563	11.2
512.27344	5.1
523.23566	9.4
524.24048	10.4
539.26556	30.2
545.38367	15.8
556.26489	3.7
557.27429	3.9
567.25891	29.2
569.23730	4.7
581.27411	6.8
582.25598	3.9
583.25470	31.6
584.25964	4.7
599.28656	100.0
601.26642	7.5
611.24976	56.7
625.44403	11.3
643.27533	7.2
643.44843	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2759
Annotation	Xylogranatin B
Peak:m/z	Relative Intensity
67.05495	4.1
69.07071	1.7
71.74393	1.7
79.05490	3.3
79.39381	0.9
81.03407	1.9
81.07051	4.5
91.05475	4.1
93.07034	3.7
95.04961	1.4
95.08588	1.8
97.06537	1.1
97.84705	1.1
105.07014	3.2
105.30170	1.0
107.08595	2.3
109.10170	1.8
119.07804	1.0
119.08588	3.6
121.10168	2.1
123.07999	1.3
131.08607	2.5
133.10088	1.3
143.08522	1.0
143.73346	1.0
145.10103	1.0
146.95480	1.0
149.09708	1.4
164.90569	1.1
230.14474	1.0
230.92747	1.1
231.91223	1.1
239.64413	1.2
259.30957	1.1
273.06604	1.1
333.18869	1.1
351.20047	2.5
395.22421	1.7
405.20715	1.3
407.18607	1.2
423.21848	1.8
433.20190	2.0
434.20953	1.4
435.18307	3.3
447.21591	1.2
449.19836	4.5
450.20694	1.4
461.19574	2.2
462.20587	3.9
463.21481	2.1
475.21231	2.1
477.23434	6.2
489.23392	2.0
493.22626	2.0
495.24326	1.5
506.23260	2.3
509.21375	1.8
510.22601	3.1
511.23349	1.5
519.23914	3.9
523.23761	1.7
533.21875	3.2
534.23438	2.0
537.24915	2.5
545.38452	3.2
549.24994	3.4
551.23376	1.5
555.25653	1.8
565.24274	13.7
583.25690	1.5
584.26050	1.9
593.23932	5.8
608.81097	1.1
611.24139	1.6
625.26508	27.9
625.36304	2.1
643.27551	100.0
644.27777	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01821	0.5
55.05447	0.7
55.05707	0.4
57.03371	0.5
65.29944	0.3
67.05417	1.4
70.11243	1.7
79.05405	1.2
81.03345	0.4
81.06956	1.2
82.37812	0.4
83.04870	0.4
91.05412	0.8
93.06950	1.2
95.08543	0.8
98.20761	0.5
105.06934	1.0
107.08517	0.4
109.10042	0.4
117.06943	0.5
119.08500	0.9
125.09549	0.4
129.06877	0.4
131.08485	0.7
133.10101	0.6
143.08421	0.6
147.11552	0.7
149.09444	0.4
157.10139	0.5
169.10034	0.5
173.52493	0.4
330.55759	0.4
378.16010	0.4
396.12210	1.0
397.12836	2.4
398.13620	1.5
399.14389	0.5
409.13324	0.4
410.13617	3.6
411.14511	7.4
412.15225	5.2
413.16086	3.1
423.14532	1.6
424.10611	1.0
424.16153	3.4
425.16187	13.0
426.16861	10.7
427.17685	2.0
428.18347	2.0
437.11569	0.6
437.16422	1.1
438.12299	3.8
439.13547	16.1
440.13422	1.0
440.19135	5.6
441.19232	39.8
442.19598	2.8
451.13394	0.5
451.18460	0.5
452.14270	3.6
453.15253	18.8
454.15970	6.2
455.21057	0.7
457.14963	1.1
458.15628	0.6
463.14224	1.0
465.15506	0.8
466.12115	0.7
467.17130	30.5
468.17828	15.7
469.18790	13.5
470.19153	0.6
471.16562	1.2
472.17355	1.3
479.16846	0.6
480.17285	1.5
481.14679	15.1
482.15314	4.1
485.18085	1.3
486.18793	0.8
494.16858	0.7
495.16742	2.9
496.17120	12.4
497.17807	3.9
498.19019	0.6
499.20087	0.8
508.19815	0.7
509.18579	2.5
509.25958	0.4
510.19388	0.5
512.20428	1.4
513.21417	0.6
514.22540	3.1
522.18121	1.0
523.19263	1.5
524.20465	0.5
527.23224	3.2
528.23462	0.6
537.19244	0.6
540.20148	1.1
542.21240	0.8
545.38361	1.0
551.19116	0.5
555.22382	35.8
556.22638	2.7
568.19031	0.8
583.21844	100.0
584.22083	6.7
586.20667	0.7
587.25433	2.2
611.21515	1.4
614.23798	1.2
615.24512	14.2
616.24695	1.0
643.23877	59.8
644.24274	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90648	1.1
67.05503	1.6
91.05475	1.1
99.17989	1.2
160.03432	1.1
183.59517	1.1
204.70760	1.1
258.11307	1.3
377.92377	1.3
389.17935	2.2
403.19403	3.4
413.17453	1.7
415.19604	1.5
425.17722	1.7
427.19189	1.7
439.18564	1.5
440.19562	1.6
441.18466	4.1
445.20523	2.5
449.15192	3.0
451.19260	1.7
453.18933	1.8
455.22327	2.3
459.17447	1.8
461.20935	1.4
463.16702	2.2
466.21390	1.5
467.16745	1.3
468.19434	1.9
473.19412	2.2
475.21371	3.2
481.14633	2.6
483.22131	7.6
485.23401	2.2
491.20261	2.4
493.17978	4.5
494.18735	2.1
495.15112	5.9
496.16449	2.2
499.21240	1.6
501.22903	2.3
503.24820	2.4
508.16605	2.3
509.17691	5.6
510.18140	4.3
513.22876	2.5
514.23865	2.3
519.19409	14.5
520.15979	8.1
522.17981	3.3
523.19067	13.4
533.17261	4.3
534.18243	3.2
537.20642	8.9
538.20941	1.4
541.20038	1.8
549.20386	8.4
551.18005	1.5
555.21521	2.3
565.20001	16.1
569.19574	1.7
584.21692	3.3
593.19513	10.4
607.25262	1.7
611.20508	2.6
625.22083	92.3
626.22095	6.4
643.23120	100.0
644.23712	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87101	0.5
55.05515	0.7
57.03433	0.8
67.05496	0.6
69.55362	2.9
69.55781	1.9
70.06583	1.2
81.03412	0.8
81.07055	1.1
83.08581	0.6
84.08152	1.0
84.22554	0.5
84.74176	0.5
85.02887	1.7
86.09690	0.7
91.05466	0.8
93.07042	1.1
95.08590	0.7
97.02894	0.6
97.06519	1.3
98.20603	1.1
99.97501	0.6
107.08554	0.9
113.70955	0.6
125.02329	0.6
127.03911	0.8
129.32983	0.6
137.06006	0.6
142.83209	0.5
145.04964	0.7
163.03893	0.7
163.11214	1.5
165.09103	0.6
167.03128	0.7
169.04741	1.4
177.88956	0.6
182.47083	0.6
185.04208	3.0
191.03130	1.5
192.03923	3.4
210.14832	0.6
217.04721	3.7
218.05554	1.7
227.05322	3.1
231.06296	3.9
232.07117	6.3
233.07808	13.5
233.09901	0.8
259.09723	0.7
260.10019	1.4
271.04242	1.6
274.10352	0.7
283.15439	5.9
284.15729	5.4
354.08246	0.5
380.10504	0.9
395.13092	43.1
403.93472	0.6
434.15875	0.6
437.14117	7.7
481.13116	22.8
482.13425	1.0
557.18353	2.2
599.19421	28.7
599.29169	1.4
600.19360	1.1
643.18408	100.0
644.18896	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.6
61.02902	0.8
67.05489	1.5
69.03394	1.1
70.06570	1.3
70.72529	0.8
70.72860	1.0
72.36572	0.5
73.02916	0.8
79.05486	1.0
81.03400	2.1
81.07036	1.4
83.08595	0.8
84.08144	1.2
85.02902	1.8
86.09680	1.4
91.03967	0.7
91.05498	0.8
93.07024	1.9
95.08601	1.6
97.02870	1.3
97.06502	1.6
98.06848	0.6
100.75984	0.5
103.31233	0.5
104.11143	0.5
105.07044	0.7
107.08553	1.7
107.21996	0.6
108.08926	0.5
109.02892	0.5
109.10123	0.7
117.07042	0.6
119.08559	0.7
121.06495	0.7
121.10130	0.5
124.22453	0.5
127.00035	1.2
127.03875	1.6
135.11685	2.3
137.09599	0.6
141.05243	0.7
145.10156	1.3
161.02977	0.9
163.03883	0.6
163.11177	3.1
164.11534	1.5
165.09099	1.4
167.03174	1.0
167.07010	1.5
169.01108	0.8
169.04715	1.5
181.04829	0.8
185.04210	1.8
191.03125	1.9
192.03870	4.1
211.09647	0.6
217.04727	1.9
218.05527	1.0
221.04955	0.6
227.05267	2.2
227.12775	5.0
228.13148	2.3
231.06349	2.8
232.07056	7.7
233.07802	13.1
233.09921	1.0
239.04131	1.1
245.05081	1.2
248.51790	0.6
257.04922	0.8
259.09555	0.8
260.09894	0.9
271.04300	2.8
283.15411	7.7
284.15668	8.8
293.08728	0.8
311.10043	1.0
312.95917	0.6
354.08191	1.1
362.14185	0.6
377.12164	0.8
377.81326	0.6
380.10629	1.1
385.12646	0.7
389.10437	0.6
395.13113	27.0
422.11877	0.6
437.14108	16.1
481.13120	45.4
482.13226	1.7
557.18329	2.1
599.19360	24.7
599.29199	1.1
600.19446	1.2
643.18347	100.0
644.18958	4.3
644.60065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.1
57.07071	21.2
67.05483	0.7
69.07060	3.1
71.08623	23.8
73.06554	8.7
73.98262	0.8
81.07037	1.2
83.08614	4.9
85.10173	15.8
87.04455	5.6
89.06024	100.0
89.25427	0.7
91.07584	1.2
95.08614	1.1
97.10172	6.3
99.11726	3.7
107.07050	4.5
111.11710	4.6
113.13282	1.8
114.09180	0.8
114.60380	0.7
117.09133	9.3
125.13242	4.0
127.14833	1.6
130.08653	5.2
131.07054	3.1
131.71440	0.7
133.08595	77.3
135.10153	1.9
139.14764	1.4
141.16412	2.2
151.09637	0.7
155.17979	1.9
161.11748	2.8
169.19478	1.0
175.09749	1.6
177.11208	29.3
179.12755	0.8
209.85483	0.7
211.24207	4.4
219.12395	1.1
221.13879	4.7
239.14998	1.9
255.23250	1.7
255.26750	3.3
267.15903	2.5
283.17584	2.5
289.17612	0.8
299.29404	9.4
327.20041	1.8
337.27618	1.3
343.32025	6.3
371.22794	1.6
415.25403	5.6
625.48840	7.7
642.51453	3.2
643.24969	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79949	0.4
55.01867	0.9
55.05507	0.6
63.02374	0.7
64.85586	0.3
67.05502	1.0
68.99783	0.9
69.03421	0.7
69.07063	1.5
70.06586	0.9
71.41422	0.8
79.01853	0.5
79.05473	2.2
81.03404	1.1
81.07047	1.2
82.83628	0.4
85.02889	0.6
86.09691	0.7
89.03914	4.5
91.05476	0.9
93.07028	1.0
95.01326	3.2
95.04942	2.2
95.08601	1.1
97.02882	0.8
97.06513	3.3
105.07028	0.7
107.04959	1.4
107.08556	0.6
114.03944	0.4
117.03365	7.1
119.08569	0.7
120.44161	0.4
121.10090	0.6
123.00780	33.7
123.04431	0.8
125.02390	0.6
127.03870	0.4
127.11142	0.4
128.30589	0.4
129.07074	0.5
133.06496	0.4
134.09485	0.4
135.04402	18.2
137.06003	0.5
137.09596	0.6
141.01805	15.6
141.06970	0.6
145.02835	10.1
147.04404	0.8
157.06494	0.6
159.02954	0.4
160.05157	1.3
161.05968	4.2
163.03883	100.0
164.04251	1.6
164.51523	0.4
167.08510	1.0
169.01308	64.6
170.01665	0.9
171.08058	0.5
173.05928	1.0
174.06741	0.6
175.03923	0.6
175.07452	0.5
181.04984	0.5
185.05937	0.5
186.05463	0.7
187.07512	1.1
189.05412	0.7
189.09073	4.9
195.08035	1.4
197.05887	0.7
200.04620	0.6
201.05426	0.4
203.07083	0.7
205.45961	0.4
213.09042	1.9
215.06992	2.9
215.10609	0.6
217.08569	0.9
231.10089	1.3
233.08104	2.3
241.08543	1.2
259.05844	0.5
259.06628	0.6
259.09625	9.0
277.10608	0.9
285.03922	1.1
303.05035	0.6
313.02838	0.5
318.06821	0.6
331.04425	1.0
349.05515	21.6
444.32898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28861	1.5
53.03941	4.3
55.05508	14.8
57.03434	1.6
57.07068	8.6
61.84090	1.3
63.44541	1.4
65.03928	3.7
67.05495	30.8
69.07051	8.4
69.43224	3.5
69.43628	15.3
71.08618	2.3
72.77422	1.4
79.05477	17.0
80.29832	1.6
81.07044	23.3
83.04973	1.9
83.08612	3.9
85.10155	1.6
91.05470	26.4
93.07034	17.4
95.04960	5.7
95.08589	14.3
97.06498	1.9
97.10155	2.6
103.05476	2.4
105.06992	12.0
107.08585	5.9
109.06544	1.5
109.10163	6.6
115.05447	5.6
117.07010	8.3
119.08570	7.2
121.10128	5.5
128.06227	5.6
129.06982	8.1
131.08534	7.2
133.10112	4.9
135.11671	2.2
141.06996	5.8
143.08549	6.4
145.10130	2.7
147.11714	1.8
152.06340	2.1
153.07002	3.5
155.08580	6.8
155.24135	1.3
157.10150	3.0
157.96243	1.6
159.08064	1.5
161.13158	1.5
165.06958	9.2
166.07893	2.3
167.08588	6.5
169.10185	4.0
171.11647	1.9
173.13254	1.7
176.47916	1.4
178.07838	5.9
179.08546	10.4
181.10136	3.4
189.07027	3.2
190.07793	4.2
191.07028	1.5
191.08534	8.1
192.09372	1.9
193.10141	5.9
195.11732	1.8
202.07831	9.2
203.08524	11.9
204.09317	4.3
205.10059	8.8
207.11768	4.7
215.08556	11.8
216.09346	9.3
217.10115	12.4
218.10953	2.1
219.11691	3.4
221.13269	1.9
226.07823	5.2
227.08507	7.1
228.09303	10.1
229.10092	14.7
230.10950	2.8
231.11729	5.9
233.13260	2.4
239.08517	12.9
240.09206	9.4
240.91763	1.7
241.10091	16.6
242.10941	4.4
243.11638	10.9
244.12459	2.7
245.13315	2.5
252.09328	12.9
253.10075	20.1
254.10938	6.8
255.11632	9.2
256.12460	2.2
257.13336	4.3
263.08527	8.5
264.09232	7.2
265.10083	20.5
266.10837	9.8
267.11673	13.1
268.12372	3.7
269.13333	5.9
276.09323	9.8
277.10062	20.7
278.10931	12.7
279.11661	19.0
280.12469	5.4
281.13260	9.1
282.13962	2.0
283.14825	2.6
289.10083	16.5
289.17947	3.5
290.10873	14.3
291.11591	22.6
291.14145	1.7
291.21121	2.0
292.12408	10.0
293.13235	9.5
294.13995	2.0
295.14786	3.5
301.10138	3.6
302.10849	9.2
303.11594	23.0
304.12427	12.6
305.13187	18.8
306.14206	4.2
307.14838	5.7
313.10101	2.3
315.11746	8.1
315.21191	2.3
316.12543	5.5
317.13174	15.6
318.13934	7.8
319.14749	11.5
320.15524	4.2
321.16382	3.8
327.20950	2.0
328.12692	2.0
329.13132	7.8
329.22681	2.0
330.14182	4.9
331.14734	11.5
332.15579	3.2
333.16519	5.8
339.21021	1.7
341.22638	3.9
343.14859	5.5
344.15567	4.2
345.16452	6.6
346.17041	1.7
347.17929	2.9
349.19550	1.8
351.21082	2.3
353.22720	2.3
357.16470	3.5
359.17929	3.0
363.21451	3.8
365.22845	2.6
367.24106	2.0
375.21146	2.2
377.22729	3.1
379.24121	2.7
389.22791	3.2
391.24222	7.3
393.26025	2.5
401.22855	2.9
403.24460	9.5
405.25818	4.8
415.24072	2.2
416.25092	2.4
417.25748	11.7
418.26440	2.5
419.27319	3.2
429.25897	4.1
431.27484	5.3
439.33682	1.5
443.27509	5.0
444.28040	3.5
445.29236	3.1
453.35211	2.4
457.29129	2.9
473.32150	2.6
477.35080	3.8
501.35248	6.3
502.35797	5.7
503.36819	5.4
515.36743	4.3
519.39203	2.0
529.38660	4.8
542.38770	2.3
543.39856	6.3
609.26331	6.9
641.50824	100.0
642.51184	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2962
Annotation	Moluccensin F
Peak:m/z	Relative Intensity
55.01863	2.9
55.05500	1.8
57.07059	0.9
67.05487	4.8
69.07050	2.5
70.92931	2.3
71.04965	0.9
79.05486	5.7
81.07038	5.4
83.04949	0.9
83.08607	1.1
91.05465	4.0
93.07030	5.3
95.04961	1.8
95.08567	4.4
97.06521	3.9
97.10148	0.9
105.07007	4.3
107.04945	1.7
107.08591	2.5
109.06496	0.8
109.10145	2.2
111.17735	0.7
117.06982	1.7
119.08585	3.0
121.10130	1.7
125.09702	0.7
131.08551	1.6
132.08060	0.7
133.10146	2.6
134.58862	0.7
135.08051	0.8
135.11668	1.2
141.95763	0.9
142.53323	0.6
145.10127	1.7
147.07988	0.9
147.11684	1.1
149.09645	1.0
156.14693	0.8
171.11694	1.0
173.13226	1.0
179.14397	1.0
185.10806	1.6
195.09262	0.8
197.10725	1.6
207.09230	0.8
209.10736	1.5
210.11345	1.4
211.12323	2.8
212.09460	0.8
212.13136	1.0
213.82162	0.7
221.10712	1.3
223.12167	1.9
224.13248	1.2
225.10078	0.7
225.13852	1.6
227.11801	2.1
233.15460	0.8
234.11591	0.9
237.13931	2.5
238.14754	1.7
239.11891	1.8
239.15443	2.4
247.12349	1.0
249.13922	1.2
251.15523	1.2
260.11871	0.8
263.15448	0.9
275.15225	0.8
275.19995	5.4
276.15204	1.2
277.16885	0.7
278.16394	0.8
289.17932	1.5
290.13330	1.0
290.16565	3.0
291.14191	1.1
292.18179	2.6
304.14532	1.5
304.18002	1.6
305.15341	1.6
305.18552	1.5
312.11359	0.9
313.15634	2.2
314.16638	1.5
316.14865	0.8
316.18042	0.9
317.15875	1.2
318.16040	2.3
319.16681	2.2
320.17520	1.0
321.12378	1.3
324.15015	0.7
326.12756	0.8
330.16083	1.9
331.17715	1.1
332.17715	1.5
333.18369	1.0
334.19449	0.9
335.26022	1.0
344.17639	1.6
346.19037	1.5
349.23767	1.5
354.12552	0.9
358.19241	1.2
363.21594	0.8
369.14648	0.9
370.15494	0.8
374.18814	1.0
384.17047	3.8
390.21954	1.0
391.19391	1.7
392.19705	4.0
393.20328	3.3
401.17987	1.0
403.19318	1.4
405.20941	2.2
406.21567	5.0
407.22107	7.7
408.23184	1.7
412.16589	2.4
415.19357	1.7
416.19870	1.4
417.20984	2.9
418.21213	1.6
419.22238	4.3
420.23364	3.5
421.23788	9.1
422.24338	13.0
426.18210	1.3
427.19107	1.7
428.20062	1.0
429.21323	1.3
431.18106	1.2
431.22925	1.3
433.16238	1.6
433.24237	1.3
434.18399	1.1
434.24359	9.5
435.22009	1.2
444.18787	6.1
445.24512	1.4
447.17612	1.2
448.19647	1.0
449.23941	0.9
454.04712	0.9
458.20654	1.7
459.21667	2.8
460.18094	1.0
460.23431	0.8
461.19040	1.1
462.20462	2.5
463.21201	10.8
464.21762	1.0
473.23431	1.7
474.24243	1.2
475.21320	5.4
476.20929	3.6
477.22919	6.2
479.24820	1.4
485.23273	1.0
487.25055	2.4
489.22562	2.5
491.24292	3.1
494.27246	3.4
495.27667	2.7
506.26935	1.0
508.22028	3.3
515.24518	1.2
517.22430	1.4
518.23505	1.9
519.28003	1.6
520.20551	1.1
523.26862	2.1
533.22046	0.9
534.22272	1.2
535.23407	1.0
535.27728	0.9
545.25458	10.9
547.19879	1.2
547.27142	9.1
548.25055	1.0
549.25024	17.4
550.25604	6.2
561.21326	1.4
563.26672	8.5
564.26996	2.6
565.28125	2.7
567.26611	1.1
576.23724	1.5
577.25366	2.0
579.29657	2.8
581.27844	1.4
591.25977	58.1
592.26276	4.0
595.28973	1.8
605.27539	7.0
609.27045	20.1
610.27313	1.3
623.28589	100.0
624.29071	7.1
641.29163	13.6
641.44635	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2962
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05505	0.4
61.81197	0.2
67.05511	0.6
69.07069	0.3
71.00915	0.6
79.05495	0.4
81.07056	0.5
91.05469	0.4
93.07028	0.5
95.08579	0.5
95.55456	0.2
97.06561	0.2
105.07031	0.6
119.08565	0.4
131.08675	0.3
159.11667	0.2
194.59927	0.2
197.10800	0.2
211.12263	0.4
212.13226	0.2
237.47154	0.2
274.85922	0.2
275.20206	0.4
288.14832	0.2
328.14392	0.3
376.17081	0.2
377.17712	1.2
378.18442	0.4
379.19128	1.0
380.19595	0.3
389.17560	0.3
390.18695	0.4
391.14926	0.3
391.19476	1.5
392.20041	0.8
393.16519	0.3
393.20868	2.0
394.21527	0.4
395.22531	0.5
400.16501	0.2
403.19138	0.3
404.20557	0.5
405.16629	2.5
405.21570	0.5
406.17352	1.7
406.22427	0.3
407.18332	0.8
407.22705	4.6
408.23041	0.7
409.24002	0.3
417.16806	0.3
418.17947	0.7
419.18359	3.4
419.22507	0.6
420.19180	2.4
421.20169	5.4
422.20892	0.6
423.21729	1.3
433.20239	4.8
434.21246	4.3
435.21912	7.1
436.22894	1.7
437.23737	0.3
447.22516	1.6
448.18326	0.5
448.23508	0.3
449.19489	8.6
450.20413	0.7
451.21335	0.3
453.22672	0.3
461.23340	0.7
462.20618	0.7
463.21136	3.4
464.22278	2.3
465.19150	0.8
465.24118	0.4
467.24301	0.8
468.25055	0.4
475.21109	0.4
476.22070	0.5
477.22955	0.9
479.20767	1.0
479.25729	0.4
480.21368	0.6
481.21960	2.4
489.23065	0.5
491.24619	0.3
493.21384	1.8
494.22977	3.0
495.23636	3.0
496.24487	0.3
505.22321	0.2
507.23907	1.7
508.24512	0.7
509.25992	0.4
521.25653	9.8
522.25970	0.8
523.27466	1.0
526.26178	0.4
535.23468	0.7
539.22089	1.2
543.36786	0.4
549.24811	0.9
550.25659	0.6
553.27582	0.7
563.26819	1.1
567.26111	0.6
580.26837	0.3
581.27606	17.8
582.28162	1.6
595.25983	0.3
609.27039	0.7
623.27734	0.3
641.29651	100.0
642.29974	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48032	0.3
55.05511	0.7
60.26160	0.3
61.02884	0.3
62.62849	0.3
67.05509	1.9
69.03403	0.3
69.07053	0.7
69.49146	0.3
71.08611	0.5
75.04456	0.4
79.05485	1.4
81.03391	0.5
81.07050	1.6
85.02898	0.6
89.13217	0.3
91.05472	1.4
93.07045	1.5
95.08594	1.1
96.01463	0.3
97.02882	0.5
97.06506	0.6
97.10168	0.5
98.03230	0.4
98.20626	0.6
105.07008	1.2
107.08585	0.6
109.06485	0.4
109.10167	0.5
117.07034	0.7
119.08588	0.7
121.10139	0.6
131.08571	0.4
133.10115	0.8
135.11638	0.7
139.53918	0.3
143.08578	0.6
145.10124	0.5
146.20642	0.3
149.09581	0.5
159.11714	0.5
167.08519	0.3
171.11659	0.4
173.13173	0.4
219.17607	0.4
239.11641	0.4
252.12436	0.3
275.20114	0.9
295.63181	0.3
341.18567	0.4
363.16348	0.4
377.17612	0.7
379.19305	0.5
390.18872	0.5
391.19247	1.1
392.20111	0.5
393.20767	1.0
405.16583	1.9
405.21542	0.7
406.17874	1.0
407.22586	4.0
408.23038	1.0
418.17612	0.7
419.18335	3.2
419.23465	0.5
420.18924	1.8
421.20044	3.2
432.19626	0.6
433.20438	4.8
434.16357	0.5
434.21112	5.1
435.21872	7.8
436.22424	1.4
447.17645	1.2
447.22134	1.6
448.18973	1.3
449.19446	6.0
451.21371	0.4
461.19229	0.8
461.24509	0.5
462.20239	3.1
463.20966	3.4
464.22260	1.3
467.24310	0.6
475.21390	1.2
476.22379	0.7
477.22440	1.2
478.23856	0.6
479.20715	1.0
479.24936	0.5
489.22623	0.7
491.24503	0.7
493.21948	1.7
494.22678	1.6
495.23904	2.4
507.24326	8.0
508.24643	1.9
509.25522	0.9
521.25909	3.4
535.23334	11.4
536.23535	0.7
539.26727	0.5
549.24902	2.1
550.26013	0.6
551.24597	0.4
553.24884	1.1
563.25665	0.4
566.24469	0.6
567.26056	2.4
581.27625	16.6
582.27863	1.6
593.27283	0.4
595.25470	11.3
596.25751	0.9
609.27106	1.4
623.25165	1.1
641.29651	100.0
642.30023	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1704
Annotation	Isorhamnetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
57.03417	0.4
57.85679	0.1
61.02918	5.2
65.03918	0.2
68.99783	0.1
69.03419	0.7
70.06555	0.2
70.09427	0.2
70.09837	0.4
71.04981	0.2
73.02903	1.2
78.59194	0.1
80.02615	0.1
81.03403	0.4
85.02892	4.3
91.03942	2.7
92.02619	0.7
93.03374	0.5
97.02310	0.2
97.02876	2.4
99.04440	0.2
109.02860	0.1
111.00800	0.2
111.67250	0.1
115.03927	0.2
121.02811	0.6
126.03104	0.3
127.03893	0.5
137.02328	0.3
139.03894	0.8
145.02817	0.1
145.04893	0.6
151.03896	1.0
151.05077	0.2
153.01801	5.2
163.03952	0.2
165.01859	0.5
172.29135	0.1
177.05435	0.4
183.02939	0.2
201.05505	0.5
203.03389	0.2
204.04230	0.1
217.04967	0.4
218.05711	0.4
228.04115	0.8
229.04910	2.5
231.02840	0.3
243.06665	0.1
245.04388	0.7
246.05203	1.3
256.03806	0.2
256.82379	0.1
257.04422	2.3
260.03162	0.3
261.07462	0.3
263.19199	0.1
271.06186	0.2
273.03857	1.2
274.04681	4.0
274.07739	0.2
284.03098	0.3
285.03894	3.9
286.04337	0.1
288.06247	0.2
301.03415	0.2
302.04172	12.6
303.04483	0.3
317.06506	100.0
318.06848	2.2
318.10263	0.2
359.07648	0.3
369.33630	0.1
383.07541	0.2
479.11795	8.1
480.11914	0.2
510.57053	0.1
577.79712	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.1
53.03934	8.1
55.01863	5.0
55.05501	18.1
57.03434	9.6
65.03920	1.9
67.05492	23.1
67.07721	0.8
69.03414	13.3
69.07052	7.5
69.58981	8.4
70.06580	1.8
71.01365	0.9
71.04978	6.0
73.02902	1.5
79.05477	25.9
81.03402	100.0
81.06598	1.8
81.07040	26.1
82.03739	1.2
83.04968	19.6
83.08601	22.4
85.02889	21.3
85.06512	2.5
91.04910	2.0
91.05460	28.9
91.60410	0.9
93.07030	18.9
95.04948	30.0
95.08598	12.1
97.02872	13.6
97.06507	8.3
97.10136	5.4
99.04427	3.7
99.08073	1.3
103.05421	1.1
105.07008	22.6
107.04928	7.8
107.08569	13.6
109.02860	17.8
109.06480	5.6
109.10136	4.5
111.04411	12.4
111.08075	8.3
113.05977	1.7
115.05428	2.4
117.06995	4.5
117.90276	0.9
119.04952	1.0
119.08567	16.6
120.67144	0.8
121.02865	0.9
121.06483	4.3
121.10137	9.8
123.04409	3.3
123.08016	2.1
123.11671	3.4
125.02390	1.0
125.05979	1.2
125.09621	2.8
127.03904	9.2
128.06160	1.8
129.05519	1.4
129.06982	11.7
131.04926	1.4
131.08548	11.8
133.06468	3.7
133.10109	9.0
135.04324	1.5
135.08017	2.5
135.11664	2.6
137.05896	1.1
137.09576	1.4
139.03870	1.1
141.06973	1.2
142.07748	3.0
145.06439	2.8
145.10063	4.8
147.04369	1.2
147.07974	3.9
147.10576	1.2
147.11671	18.9
149.05894	1.0
149.09599	8.2
153.12766	2.8
157.06497	1.2
157.10106	11.8
159.04448	1.2
161.05905	1.2
163.03864	3.2
163.11134	5.3
165.12729	4.4
171.08075	1.2
171.11613	1.0
173.02332	0.9
173.04443	1.6
173.05850	2.0
173.09575	1.2
175.03938	0.9
175.11157	12.7
181.10226	1.0
181.12196	4.2
183.06435	1.1
183.11653	1.0
189.11206	2.1
191.10651	3.6
193.12212	43.4
201.05396	1.1
201.07426	1.0
209.11606	1.2
211.13254	66.7
212.13545	1.1
213.05406	2.2
227.12679	6.5
229.14290	2.9
235.13329	1.2
238.25337	1.1
249.14883	2.2
259.13290	1.1
267.15918	17.0
273.14801	2.3
277.14465	1.1
283.15445	2.2
285.16977	11.2
291.15854	1.5
301.14267	4.3
311.12714	2.1
313.16644	1.4
319.15573	2.0
337.16373	4.3
355.17896	6.2
367.22571	1.7
375.18094	2.3
385.23596	2.7
393.18927	2.9
411.15378	1.5
411.20453	5.0
429.20245	3.1
459.27499	7.7
477.28470	11.1
495.29453	14.9
511.28839	1.6
519.29163	1.5
565.27954	1.6
585.29950	2.7
603.31085	3.8
621.32214	9.4
639.33356	41.0
640.31763	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06633	0.9
53.03941	6.7
55.01862	6.2
55.05504	17.3
57.03431	8.7
57.07056	0.8
59.05008	1.3
65.03929	2.1
67.05497	24.4
69.03075	1.5
69.03419	13.3
69.07061	7.2
70.06591	0.9
71.04983	8.0
73.02906	1.1
79.05481	26.9
81.03409	100.0
81.07046	32.5
83.04968	20.1
83.08611	21.4
85.02896	21.6
85.06538	1.5
91.05470	32.0
93.07032	18.3
93.07577	1.4
95.04954	27.8
95.08601	8.8
96.08173	0.8
97.02880	14.0
97.06514	7.0
97.10165	5.7
99.04437	4.2
99.08092	1.8
105.07024	25.2
107.04932	7.1
107.08589	9.5
109.02861	15.9
109.06492	5.5
109.10175	5.0
111.04432	12.4
111.08061	11.0
113.06020	2.2
115.05447	1.2
117.07014	4.5
119.04956	2.0
119.08559	19.1
119.09380	0.9
121.06526	3.0
121.10120	10.2
121.33990	0.7
123.04425	1.5
123.08087	2.9
123.11727	3.0
125.09628	3.3
127.03893	8.8
128.06274	0.9
129.05504	3.0
129.06982	11.8
131.04971	1.0
131.08542	11.7
131.09460	1.1
133.06448	4.8
133.10110	9.3
133.41064	0.7
135.04480	1.2
135.08054	1.9
135.11707	2.8
137.05981	1.0
137.09659	2.2
137.13248	0.8
142.07755	2.0
142.08728	1.4
143.08592	1.5
145.06493	1.7
145.10135	3.4
146.96191	0.8
147.04367	1.4
147.08038	3.8
147.11682	17.5
149.06053	1.5
149.09596	6.8
149.10431	0.6
151.03986	0.8
153.12773	3.0
155.08562	1.1
157.06523	1.1
157.10114	13.6
159.08061	1.4
159.11707	0.9
161.06049	1.0
163.03905	2.0
163.11147	5.5
165.12674	5.1
169.92259	0.9
173.04475	1.4
173.09660	1.3
175.11172	13.8
177.12880	1.0
181.12282	3.4
183.06573	0.9
189.05484	0.8
189.11247	1.3
191.10648	3.7
193.12224	46.4
194.12596	1.2
199.11169	0.9
209.11809	1.0
211.13266	76.1
212.13678	0.9
217.12383	0.8
227.12732	6.4
229.14423	3.1
235.13348	2.6
249.15036	1.6
267.15915	20.7
273.14990	2.6
277.14377	1.7
283.15518	2.7
285.10239	1.1
285.16943	14.0
286.17154	0.9
289.14362	0.9
291.16101	1.0
301.14127	3.9
307.15491	0.8
309.17090	0.9
313.16571	1.7
319.15561	2.4
323.05478	1.1
337.16525	5.6
355.17789	7.7
367.22763	1.3
375.17987	2.0
385.23962	2.9
393.19254	2.3
403.24979	1.3
411.20251	6.6
429.20633	2.6
459.27396	7.1
477.28427	10.2
495.29575	12.8
511.28775	1.8
519.30011	1.4
567.30200	1.0
585.31000	2.2
603.31348	2.7
621.32336	8.8
639.33710	42.4
640.33966	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2805
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.01869	2.0
55.05500	3.5
57.03428	1.2
67.05500	6.3
67.30755	1.0
69.07059	3.6
71.75471	1.3
79.05487	5.3
81.07056	7.3
81.30925	1.2
83.54530	1.1
91.05461	6.6
93.07015	3.9
95.01372	1.3
95.04967	1.6
95.08615	3.3
97.06530	2.5
105.07008	6.2
107.04957	1.5
107.08588	2.7
115.05447	1.4
117.06976	2.6
119.08548	2.5
121.10094	1.5
122.33253	1.0
129.06978	1.9
131.08571	1.3
133.10138	4.5
145.10121	2.8
147.11703	1.2
161.13341	1.2
179.14622	1.0
220.23338	1.1
227.17770	1.1
228.55132	1.1
237.13893	1.5
238.14584	1.9
275.08356	1.1
275.20096	4.7
286.13373	1.3
291.19421	2.0
376.16577	1.7
390.18610	1.6
391.19327	3.1
392.20145	1.3
403.19791	1.8
405.21143	2.0
406.22012	1.5
407.22446	4.8
419.18460	3.3
421.20059	2.6
431.18698	2.7
433.20206	12.5
434.21008	3.5
435.21750	4.5
445.20435	1.6
449.19617	6.9
461.23676	1.7
463.21542	1.7
464.22424	2.2
465.23004	8.4
473.23749	6.2
474.20746	1.3
475.25122	1.5
479.24933	2.7
480.25204	1.6
488.21832	1.5
489.22836	2.2
491.20911	1.9
492.21674	4.1
493.22726	4.7
501.23190	1.4
503.24338	5.2
505.22345	3.3
507.23950	6.1
520.24872	2.0
521.25433	10.0
531.24097	2.5
535.23138	1.8
537.25226	1.9
547.23529	3.5
551.25830	1.8
565.24292	8.1
575.22778	11.1
579.26038	18.7
580.26898	5.4
597.26697	2.9
607.25482	35.4
608.26044	3.0
621.26837	3.2
639.28094	100.0
639.40662	9.6
640.28375	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2807
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
52.73546	0.5
63.38034	0.4
69.49063	4.8
71.52926	0.6
98.21449	0.9
113.45450	0.6
161.10298	0.5
187.21938	0.5
339.58057	0.6
360.96109	0.5
377.17609	1.0
378.18506	0.7
390.18350	0.7
391.19202	2.1
392.19849	1.3
403.19049	0.8
405.20874	3.1
406.21466	1.5
407.22501	3.6
419.22302	1.4
420.22723	1.4
421.23837	3.9
422.24368	0.9
433.23904	1.5
436.19138	0.9
447.21271	0.7
450.20346	0.7
451.21289	3.4
452.22052	0.7
461.23251	0.9
463.22018	0.5
465.22919	2.9
473.19345	0.8
503.24405	3.5
504.24713	0.7
507.27618	2.2
508.28101	2.2
523.23218	0.7
535.27020	11.0
536.27753	1.2
537.24963	1.6
551.26392	2.3
552.27240	18.7
553.27795	1.3
561.25104	2.3
579.25812	10.0
580.26611	3.9
593.27374	1.1
595.29199	8.6
607.24951	0.8
621.26984	24.7
622.27527	1.6
639.28015	100.0
640.28375	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2803
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
53.14530	1.1
67.05499	3.5
69.07068	1.3
70.01081	0.9
70.81046	2.7
79.05500	2.8
81.07073	2.5
85.56129	1.0
91.05491	3.9
93.07047	2.4
94.06574	1.7
101.87698	1.1
103.05469	1.6
105.07028	2.2
107.07341	1.1
107.08669	1.6
108.08105	1.8
117.07045	1.5
119.08572	1.8
120.04469	2.8
120.08089	9.7
120.08724	0.9
121.10136	1.2
122.09710	2.3
133.10207	1.9
143.08583	1.2
144.04474	1.9
145.10184	1.4
146.06064	3.1
148.07611	3.6
150.09157	1.7
158.09700	1.3
158.48686	1.1
172.03900	6.6
172.07576	1.3
173.08508	1.1
187.08702	1.7
190.05046	1.9
197.10852	1.8
204.06526	11.0
209.10780	1.4
211.08672	2.2
211.12459	1.4
223.08839	1.7
225.10342	4.1
225.13850	2.1
227.11745	5.6
235.08591	2.3
236.09497	3.1
237.10309	3.0
239.11938	1.1
247.08820	1.3
249.10182	6.3
250.11124	1.2
251.08348	1.3
251.11884	4.2
253.09775	1.9
253.13391	2.8
261.10410	1.6
263.08450	1.1
263.11862	1.9
265.09933	1.8
267.11346	1.2
273.18433	1.2
277.09784	3.1
279.11108	5.1
281.12906	1.4
285.12540	4.2
295.10760	1.2
297.12201	1.3
298.13376	2.2
299.14032	2.1
301.15295	1.9
305.91525	1.1
307.11002	1.9
309.12527	2.5
311.13940	1.8
314.13065	3.9
324.11539	1.4
325.12244	2.8
326.13141	2.8
327.13968	3.1
328.14471	4.7
338.12894	1.2
339.13675	4.1
340.10895	1.9
340.14673	3.0
341.15332	1.6
342.12546	7.6
342.16266	5.1
343.13129	1.2
344.14435	1.1
351.13589	1.4
352.14767	1.5
354.12567	3.3
355.13281	3.0
356.14056	5.4
356.17789	2.9
357.14944	3.4
358.15714	2.8
366.12195	1.7
366.16281	1.6
367.13135	2.4
368.14090	4.5
369.14862	2.4
370.15332	8.0
371.16675	1.7
382.15891	3.2
383.16516	3.9
384.13052	1.7
384.17358	5.7
385.17850	2.2
386.15283	2.0
396.13379	1.7
397.14426	1.4
398.14905	2.3
399.16092	1.4
405.17383	1.5
410.15152	2.0
412.16757	2.9
416.19736	2.2
417.17126	1.4
419.14703	2.5
419.19461	1.5
421.20212	1.8
426.18369	4.0
430.17923	2.9
431.18561	1.4
433.16696	2.7
434.17673	2.4
435.17831	2.0
442.17935	3.5
444.19247	10.3
447.18478	2.1
449.19894	5.5
461.20193	1.7
463.17084	1.2
463.21912	2.2
470.17099	6.6
472.19049	2.0
476.21924	1.2
477.19324	2.0
491.24933	1.6
502.20038	3.3
504.21689	2.1
519.24292	1.4
551.26855	17.5
561.24207	1.2
579.26447	17.6
580.27393	1.5
589.24420	2.5
597.26892	1.6
607.25720	12.4
611.28583	81.5
612.28857	4.9
621.27380	3.2
639.28101	100.0
640.28198	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95542	0.9
55.05501	1.4
55.46311	0.9
57.03436	1.0
66.62766	0.9
67.05508	3.4
70.34811	2.4
70.35171	1.6
79.05502	3.3
81.07051	3.1
87.91922	0.9
91.05480	3.3
93.07046	3.1
95.04974	1.2
95.08620	1.7
103.05448	1.7
105.07053	1.8
107.04984	1.1
107.08604	1.4
108.08112	2.2
109.10201	1.5
111.08150	1.1
116.04978	1.2
118.06543	1.4
119.08580	1.1
120.04476	2.6
120.08099	11.1
122.09689	3.0
129.07014	1.0
133.10179	1.0
135.11575	0.9
144.04498	2.8
145.10075	1.3
146.06023	3.1
148.07593	3.1
150.09163	1.6
158.09650	1.1
165.67897	0.9
171.09201	1.0
172.03923	9.5
172.07532	0.9
183.09200	1.3
184.09935	1.5
187.08687	1.1
190.05078	1.3
196.09912	1.3
197.10771	2.3
204.06529	12.0
207.09218	1.1
208.09984	1.2
209.10742	1.4
211.08723	2.8
211.12399	1.1
212.09464	2.2
212.45547	0.9
221.07181	0.9
221.10730	1.1
223.08746	1.4
223.12396	1.3
225.06697	1.3
225.10144	5.0
225.13907	1.4
227.11774	6.2
235.08636	2.3
236.09499	2.9
237.10289	3.0
239.11804	2.0
247.08694	1.0
248.09485	1.6
249.10231	7.6
250.10979	1.5
251.08319	2.0
251.11687	5.1
253.09731	2.2
253.13358	2.2
257.12811	1.0
262.11060	0.9
263.08420	1.5
263.12000	2.7
264.09064	1.8
265.09766	2.2
267.11270	1.3
271.10699	1.4
275.11798	1.2
277.09509	1.8
279.11444	4.1
281.13074	1.3
285.12329	5.5
286.13504	1.1
288.11487	1.0
295.10864	0.9
297.12503	2.4
298.13321	1.1
299.14246	2.1
300.11279	0.9
300.14832	1.4
301.15851	1.5
307.11002	1.7
309.12314	2.0
311.13962	3.6
312.15335	1.0
313.12228	1.2
314.13049	3.6
315.13718	1.6
316.14447	1.3
324.15234	1.3
325.12234	2.8
326.12985	3.8
327.13724	2.9
328.10873	2.1
328.14590	3.9
329.15347	1.1
330.16144	1.6
338.12985	1.7
339.13501	4.7
340.10944	1.9
340.14740	3.9
341.11697	2.2
341.15421	2.4
342.12457	6.9
342.16116	4.3
343.13196	1.8
354.12534	4.1
354.16327	2.0
355.13184	2.9
356.13934	6.3
356.17682	2.1
357.14740	3.7
358.15530	2.0
366.16333	1.4
368.13971	5.5
369.14801	2.6
370.11526	1.6
370.15411	7.8
371.16541	1.7
382.11526	1.4
382.15820	3.8
383.16293	3.5
384.12952	1.6
384.17435	5.3
385.17892	1.4
391.15897	1.6
396.13165	1.8
397.13895	1.2
398.14978	1.8
399.15680	1.9
407.19016	1.4
410.15115	2.8
412.16632	4.1
414.18793	1.4
416.19882	1.4
419.15271	3.3
426.18399	3.4
429.16843	1.2
430.17657	2.9
433.16919	3.6
434.17609	2.1
435.18344	3.0
438.14709	1.6
442.17667	3.3
444.19205	12.4
445.19992	1.9
447.18362	2.2
449.19620	7.6
452.16080	1.1
462.20880	1.4
463.21402	3.1
464.22321	1.8
470.17044	4.6
472.18710	1.4
477.18665	2.3
491.24402	1.0
492.21262	1.0
502.19824	2.2
504.21341	2.0
505.23022	1.3
519.23840	2.0
521.22174	1.6
547.23352	1.1
551.26520	18.9
579.26056	19.9
580.26233	2.2
589.24066	2.5
597.27588	1.4
607.25543	11.4
608.25555	0.9
611.28577	77.6
612.28912	4.0
621.27185	2.7
639.28070	100.0
640.28455	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2806
Annotation	Cucurbitacin B 2-sulfate
Peak:m/z	Relative Intensity
55.05499	1.2
67.05492	2.8
69.82114	7.8
79.05449	2.5
81.07057	2.7
91.05460	3.4
93.07036	2.8
95.08598	2.1
101.26051	1.0
105.07024	2.5
106.06553	1.2
133.10147	1.1
142.07745	1.2
143.23482	1.1
146.06017	1.1
203.16234	1.3
209.10654	1.1
211.12241	1.6
213.06544	1.4
221.10767	1.7
223.12299	2.6
224.12991	1.8
225.13838	1.6
235.12338	2.2
236.13023	1.5
237.13771	4.0
238.14493	2.6
239.15382	1.6
249.13800	2.7
250.14656	1.4
251.11891	2.1
251.15393	3.7
261.13898	2.4
263.11728	1.3
277.13284	1.6
279.14896	3.2
299.15393	1.2
301.13696	1.7
312.14987	1.5
337.29224	1.3
363.16644	1.8
377.18091	1.1
379.19229	2.3
389.17847	1.3
393.16760	1.8
393.21216	1.6
403.18701	1.2
406.18018	1.6
407.18750	2.8
409.20297	2.0
410.20883	1.7
421.20163	2.9
422.20959	2.4
423.21585	3.8
434.17029	1.8
435.17740	2.2
436.18677	1.4
449.19424	2.0
450.20413	3.0
451.21030	1.6
461.19547	1.6
463.21713	1.7
479.20682	2.0
494.23947	3.1
496.24573	1.3
501.22885	1.7
509.25589	18.9
510.25632	1.9
519.23883	2.7
522.22913	3.0
537.25073	12.6
541.27863	1.5
547.23578	1.7
551.27069	5.4
561.25061	6.0
564.23785	1.7
565.24396	16.9
569.27557	16.6
579.25702	4.6
595.29224	1.4
596.26117	2.7
597.27008	100.0
598.27258	4.9
601.44092	1.2
607.25171	7.5
611.28625	12.1
621.27295	10.3
622.27716	2.2
639.27740	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2802
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
61.16358	0.8
69.51897	4.2
69.52325	3.5
87.40932	0.8
96.91859	0.8
101.98411	0.7
127.07485	0.8
129.20815	0.9
269.85056	0.8
389.18628	1.5
390.18683	1.7
391.19135	3.6
392.20038	1.5
403.19864	0.9
405.20840	9.0
406.21350	4.1
419.22266	2.6
420.23154	2.4
421.24002	5.0
433.20065	2.4
434.24704	0.9
435.18356	1.1
436.18924	2.0
445.20294	0.9
447.21765	1.6
449.19879	2.9
450.20425	1.4
451.21207	1.0
452.22336	3.9
461.23267	1.5
463.21710	1.2
464.22055	1.6
465.22809	34.7
466.23401	1.3
473.19626	1.0
475.24985	2.8
477.19058	1.2
477.26245	1.7
478.23233	1.4
479.24384	6.2
480.25012	4.1
487.21500	2.3
488.22073	2.0
491.20633	1.7
492.21503	2.8
493.26132	6.0
503.24365	27.0
504.24722	2.2
505.22098	1.4
519.24225	1.4
521.25549	17.5
537.24939	7.0
545.99109	1.0
547.23560	2.5
565.24420	50.5
566.24554	2.0
580.26715	18.3
607.25342	14.3
621.27185	1.4
626.48425	1.0
639.28015	100.0
640.28113	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2807
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.99068	0.3
55.05502	0.7
67.05511	1.7
69.07048	1.0
70.46986	1.4
70.74205	0.3
73.17378	0.3
79.05484	1.2
81.03381	0.4
81.07048	1.5
91.05485	1.5
93.07034	1.1
95.01376	0.3
95.04957	0.5
95.08614	0.9
97.06514	0.6
97.10139	0.5
97.26534	0.3
98.21327	0.4
102.30727	0.3
105.07024	1.4
107.04957	0.4
107.08594	0.7
109.06500	0.4
109.10145	0.4
119.08581	1.0
120.08119	0.6
121.10095	0.3
126.87258	0.3
131.08591	0.7
133.10155	0.7
145.10164	0.5
147.11774	0.5
159.11676	0.5
192.36890	0.3
204.06531	0.6
225.10197	0.8
236.37805	0.3
237.10286	0.5
237.32780	0.3
239.11821	0.6
249.10173	0.6
263.11978	0.3
275.20148	1.0
291.19617	0.9
302.13025	0.3
314.13065	0.7
324.15030	0.4
328.14536	0.7
340.14371	0.4
342.15927	0.4
347.22324	0.4
379.19318	0.4
391.19760	0.4
392.16135	0.6
393.17078	1.0
393.21326	0.4
394.21579	0.4
398.14764	0.3
405.17050	1.5
406.17957	1.1
407.18491	2.6
407.27844	0.4
408.18933	0.6
416.37781	0.4
418.17938	0.4
419.14642	1.0
419.19479	0.7
420.14987	0.5
420.19528	1.1
421.20584	5.9
422.20837	1.6
423.21927	0.8
431.19144	0.5
432.19794	0.4
433.15887	1.0
433.21292	2.1
434.17444	1.5
434.22195	0.4
435.17203	2.6
435.22845	0.9
436.22885	2.5
437.23026	0.4
445.16650	0.7
447.17374	0.6
447.22351	0.9
448.18332	2.8
449.19598	10.3
449.25323	0.6
450.20468	3.8
451.21085	0.8
459.18283	0.9
461.19797	2.2
462.21225	0.4
463.21869	5.4
464.22098	5.7
465.22787	1.0
473.20129	0.5
474.20709	0.9
475.21558	2.5
476.22333	0.5
477.18948	6.3
478.19873	2.3
479.20499	0.6
481.22760	0.5
484.96204	0.4
487.21707	0.4
489.18982	0.5
491.21008	1.3
492.21552	1.3
493.22470	1.3
495.24026	0.6
503.21091	0.4
505.22424	0.9
507.24506	1.7
509.25809	0.7
519.24615	0.4
521.21692	0.8
523.23083	2.5
524.24048	0.4
533.21967	1.3
535.23444	4.1
536.23834	1.7
537.21814	1.3
547.23431	0.7
549.21295	0.5
550.25525	0.9
551.26917	2.1
561.24878	3.7
563.22858	0.7
564.23682	4.1
565.24609	2.2
579.26025	7.5
581.24475	0.6
592.23291	0.6
593.27026	0.5
595.25415	3.3
596.26324	1.2
597.26611	0.9
607.25299	0.9
610.28436	0.8
611.28674	0.7
620.30994	0.3
621.26953	5.2
622.27295	0.5
624.25574	4.6
639.28070	100.0
640.28357	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88734	2.3
60.55906	2.1
71.75998	2.6
77.03408	2.1
95.08595	2.1
100.25314	2.2
108.48779	2.3
178.83774	2.6
197.40192	2.4
242.95799	2.5
350.75272	2.3
404.20026	5.7
405.20609	14.0
415.97333	2.6
417.21100	3.4
419.22150	9.4
420.23044	4.3
433.24023	4.8
434.24506	2.9
447.21210	4.2
449.19794	6.6
463.21356	8.1
464.22028	5.4
465.22491	10.8
477.22849	4.0
478.23621	6.5
479.24374	32.5
487.20584	3.7
491.19977	2.8
493.25928	24.3
502.24014	2.4
519.23779	5.2
520.23706	3.0
523.23456	10.5
537.24933	35.6
547.23407	5.6
551.26361	23.9
552.27313	100.0
553.27582	5.5
579.25897	15.4
607.25220	15.4
621.25995	3.2
639.27838	84.0
640.28534	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64325	3.9
55.42522	4.3
70.79539	12.6
70.79924	8.5
70.95068	4.1
87.88322	4.2
116.37202	4.9
120.27341	4.4
136.10919	4.4
253.13242	5.3
254.60135	4.5
373.32803	4.2
423.21204	6.0
429.16989	4.9
459.21616	28.2
460.22726	8.8
461.23346	5.9
465.22620	6.5
519.23724	10.3
547.26837	18.4
579.26086	7.4
580.26624	15.5
606.28339	100.0
607.25732	20.8
611.28357	8.6
615.49280	4.8
622.27533	8.6
639.27917	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1913
Annotation	3,4'-Dihydroxy-7,3',5'-trimethoxyflavone 3-galactosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
60.46591	0.2
61.92440	0.1
65.55039	0.2
70.06584	0.5
71.48164	0.4
76.10583	0.1
84.08147	0.2
85.02901	0.3
86.09677	0.2
120.08080	0.2
123.04433	0.3
153.01801	1.2
161.02316	0.3
163.03926	0.7
167.06995	0.8
170.02100	0.3
178.02583	0.5
178.06223	3.0
179.03363	0.3
183.02940	0.2
183.99959	0.1
191.07169	0.2
204.04120	0.2
213.05457	0.2
216.02402	0.1
216.04266	0.6
217.04959	0.3
231.06548	0.6
241.04955	0.9
243.06490	0.4
244.03697	0.6
245.04413	0.2
255.02861	6.3
256.03375	0.2
259.05960	1.3
269.04477	2.1
269.07538	0.2
272.03125	0.3
281.04425	0.3
283.02377	1.8
283.05969	0.6
284.03094	0.5
284.06821	0.5
285.03693	0.3
287.05469	7.0
289.10696	0.3
297.03943	1.8
299.05432	1.1
300.02588	2.3
300.05713	0.2
301.07224	0.4
311.05542	0.4
312.06299	0.9
313.07047	0.7
314.07663	0.2
315.04959	40.2
316.05447	0.8
329.06406	0.9
330.07318	18.3
331.07605	0.6
345.09650	100.0
346.10059	2.4
507.15024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
54.04966	0.3
55.01865	5.4
57.03432	3.7
61.02921	4.4
67.05504	0.3
68.99778	2.2
69.03419	21.0
69.64633	0.9
69.65059	1.7
70.06592	0.4
71.01363	0.4
71.04990	2.8
73.02905	4.2
75.72867	0.3
79.05491	0.7
79.50164	0.3
81.03407	19.7
81.07079	0.3
83.01332	0.8
83.04988	0.4
85.02895	52.8
87.00817	25.9
87.04465	1.2
91.03944	1.0
91.05467	4.4
95.04955	0.5
97.02878	25.8
99.04443	8.9
101.02398	0.3
103.03909	0.4
103.05460	0.6
105.01851	26.5
105.07040	0.9
108.04481	0.8
109.02863	22.6
109.06548	0.8
115.03970	0.4
117.01851	2.5
119.04929	8.6
121.06462	0.6
123.04466	0.7
123.08059	0.8
125.05968	0.4
127.03900	36.8
128.04192	0.4
129.01836	1.5
131.04906	0.8
133.06477	0.8
136.05154	0.3
137.02315	0.6
137.05959	4.6
145.04944	15.8
147.01866	0.4
147.02890	1.3
147.04398	7.7
149.05963	0.6
151.07509	4.4
153.05447	0.4
155.03366	28.7
156.67578	0.3
159.02887	7.7
161.05984	0.7
162.07605	0.7
163.03868	1.1
165.09116	1.2
169.04977	0.3
170.05719	80.5
171.02913	0.5
171.06062	1.1
177.03951	0.6
177.05478	1.0
179.06999	13.2
180.07239	0.4
180.08670	1.1
181.04932	1.4
181.06447	0.4
183.06517	5.5
189.03940	0.9
189.05460	0.5
191.07018	0.5
193.08595	0.9
196.07256	2.6
205.05006	0.5
209.08046	2.6
211.09622	100.0
212.09982	2.2
213.03940	3.1
221.08195	0.5
223.09549	1.9
231.04964	10.3
235.09525	0.6
236.09801	0.4
237.07542	0.6
241.08583	0.8
248.07555	0.4
249.05739	2.4
259.09546	0.6
273.11206	0.7
277.10608	0.6
287.09143	0.6
289.55289	0.3
301.10666	1.8
319.11685	3.5
368.94745	0.4
423.12692	0.6
439.80539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.01857	5.9
57.03432	3.6
61.02920	4.7
62.51173	0.5
62.73975	0.5
68.99763	2.1
69.03421	20.9
69.83472	1.7
69.83883	1.9
71.01331	0.6
71.04979	2.8
73.02899	4.4
81.02927	1.2
81.03403	20.0
83.01315	1.0
83.04981	0.5
85.02895	60.5
85.35295	0.5
87.00819	27.3
91.03940	1.1
91.05470	3.7
95.04948	0.7
97.02879	24.7
99.04436	7.7
103.03928	0.7
105.01852	27.0
105.07021	0.7
108.04471	0.8
109.02866	22.0
109.06512	1.1
115.03899	0.7
117.01817	1.6
119.04922	8.4
121.06449	0.5
123.04424	0.8
127.03901	37.3
129.01834	2.5
130.46924	0.5
131.04907	0.8
133.06482	0.8
136.05144	0.6
137.05978	4.9
145.04941	14.9
147.03056	1.1
147.04370	9.5
149.05957	0.6
151.07544	5.2
154.08565	1.0
155.03366	25.3
159.02876	10.7
161.05946	1.0
165.09064	1.3
170.05719	84.4
171.06013	0.6
177.05432	2.4
179.06999	14.2
180.08701	1.0
181.04977	1.4
183.06506	6.7
189.03856	1.1
189.05461	0.6
193.08604	1.8
196.07314	2.3
209.08080	1.4
211.09628	100.0
212.10025	1.3
212.16548	0.7
213.03935	2.9
223.05977	0.7
223.09590	2.2
231.04959	10.0
233.07971	0.6
241.08600	0.9
249.06049	2.0
253.07085	0.6
259.09665	0.7
263.08990	0.6
269.08023	1.2
273.11200	1.7
287.09152	0.8
301.10745	2.8
319.11847	3.9
458.80542	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57721	0.6
53.01869	0.4
55.64095	0.4
60.91521	0.4
61.71291	0.3
64.30116	0.3
70.93745	1.2
107.05494	0.4
178.68700	0.4
223.12218	0.4
237.13615	0.4
354.16025	0.5
373.15631	0.5
374.16467	0.5
376.16763	0.9
377.17535	1.1
385.14426	0.6
388.18329	0.7
389.18527	1.1
390.18698	1.3
391.19244	3.4
392.19778	2.2
399.16006	1.5
400.16843	1.7
401.17542	1.7
402.19086	1.2
403.19711	1.8
404.21045	1.8
405.20737	6.9
406.21494	6.2
407.22397	0.5
412.17639	1.1
413.17551	2.5
414.18384	3.4
415.19202	6.8
416.19876	0.7
417.21313	1.9
418.21710	0.9
419.17563	0.7
419.22949	3.2
420.23056	5.7
421.23859	11.2
422.24191	0.5
426.19455	0.7
427.19501	2.4
428.20038	4.2
429.15671	0.8
429.20859	14.6
430.21939	3.8
431.17783	0.7
431.22443	1.4
432.23279	0.6
433.19693	2.2
433.23935	3.2
434.24588	1.5
441.21582	0.6
442.21512	1.2
443.17258	0.6
443.22464	9.3
444.23520	5.7
445.19864	4.8
446.21155	1.2
447.18066	1.7
452.21878	0.6
455.18549	1.4
456.19534	1.9
457.24869	5.3
458.24884	8.4
459.21765	9.8
460.22742	5.8
461.19257	8.9
462.19806	0.9
469.20267	0.5
470.21225	2.0
471.22522	2.4
472.22781	9.3
473.19202	1.9
473.23648	2.3
474.19653	0.8
474.24808	0.7
475.20792	3.2
476.21872	9.2
483.17969	0.6
484.18417	0.5
485.23444	19.2
486.20135	2.5
486.24057	4.1
487.20828	3.2
488.22086	4.5
489.22696	1.7
490.23743	0.9
491.24356	0.7
492.25427	0.6
493.22354	0.6
499.21298	1.5
500.22168	2.5
501.23096	0.7
502.23718	1.4
503.24387	25.3
504.21643	0.8
505.22067	1.0
507.24393	0.6
513.22833	4.0
514.23352	2.1
517.25995	10.1
519.23712	1.0
529.25720	2.0
530.22949	1.1
535.27026	30.6
536.27399	0.6
545.25446	96.5
546.26093	2.3
549.24542	0.9
558.22430	0.6
563.26483	5.8
573.24908	23.1
577.27661	1.4
578.28137	2.4
605.27545	86.2
606.28009	2.5
637.30151	100.0
638.30609	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
71.75072	1.6
72.97477	1.9
101.07195	2.5
153.67761	1.7
186.73717	1.9
188.27238	2.2
196.49162	2.1
223.12419	1.8
374.81015	1.8
391.19278	2.5
403.19437	3.1
416.20239	2.3
417.21234	3.7
430.17877	3.5
431.18314	4.7
443.18829	5.8
444.19370	3.2
445.20029	15.5
446.20517	3.5
458.20834	12.1
459.21701	11.7
460.22668	7.3
461.19791	5.4
471.21930	2.4
475.21442	3.8
476.22150	2.9
501.23090	2.1
518.23199	6.2
533.25055	3.6
545.25378	2.6
577.28345	3.4
587.23224	4.4
605.27521	15.5
619.25421	3.1
637.30200	100.0
637.39978	4.0
638.30829	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	1.9
69.07040	0.9
70.56198	2.2
83.99753	0.7
85.34361	0.7
95.08580	1.1
98.21295	1.2
105.07003	0.9
109.10178	1.1
122.78017	0.7
128.43967	0.7
138.16545	0.8
155.99870	0.8
162.05441	1.6
168.08148	1.9
169.07570	0.9
181.07542	1.7
181.08965	1.2
182.08412	1.7
183.09177	1.1
185.11942	0.7
193.07613	2.7
194.08417	2.4
195.09151	6.1
196.09929	2.9
197.10782	2.8
207.09094	4.6
208.07819	0.9
208.09833	4.2
209.07001	1.1
209.10687	8.3
210.11464	7.3
211.08664	1.4
211.12338	2.3
212.13080	2.6
221.07115	3.0
221.10689	1.8
222.07835	2.4
222.11470	1.4
223.08644	8.2
223.12236	6.1
224.09392	16.1
224.13065	2.7
225.10220	6.7
225.13799	9.0
226.14633	2.2
227.15341	0.9
235.08620	6.3
236.05582	0.9
236.09503	3.3
237.06599	1.3
237.10159	3.9
238.11021	2.1
239.08218	2.1
241.09700	1.7
244.33620	0.8
249.10271	1.1
251.08075	4.6
251.11699	4.2
252.08875	1.7
252.12332	1.0
253.09673	1.5
253.13324	23.5
253.15894	1.4
255.11217	3.9
256.12030	3.8
257.83237	0.8
263.08185	4.9
264.08923	2.3
265.06143	1.1
265.09692	2.8
266.06909	1.0
266.10480	1.9
267.07526	1.7
268.25943	0.9
269.09256	2.2
269.12823	2.2
270.13605	1.1
271.14529	2.4
272.07996	1.4
277.06226	2.0
279.07614	2.2
279.11362	4.7
281.09204	4.4
281.12500	1.8
283.11069	0.9
291.07523	6.2
293.09265	1.5
295.07083	2.9
297.09042	1.8
297.12396	4.7
300.11118	1.3
309.08646	2.3
310.09378	4.3
311.10168	0.9
311.14093	0.8
319.07114	2.3
323.10370	1.3
325.11783	5.0
327.09744	0.8
351.09738	19.8
369.10754	33.3
374.75644	1.0
447.17896	0.8
458.17142	1.1
465.36041	0.8
470.17386	1.7
489.22760	1.8
503.20834	2.1
517.22369	9.7
545.21704	3.9
549.24377	1.0
573.21210	4.8
577.24365	48.0
578.24774	2.1
605.23877	100.0
606.24133	5.5
623.24829	1.6
637.26404	20.8
638.27258	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31057	1.2
57.07051	2.0
67.05483	1.8
68.94648	1.2
69.41834	3.6
69.42259	10.9
77.48357	1.2
79.05453	2.0
79.49980	1.5
81.07033	2.8
83.08603	1.4
119.88210	1.4
130.27292	1.4
153.88889	1.3
175.83662	1.4
311.76617	1.6
313.27551	1.5
375.16162	1.7
377.17358	3.0
378.18143	2.6
387.86346	1.4
389.17746	2.4
391.19083	4.7
392.19968	2.8
393.20633	5.5
399.16116	2.8
400.17123	2.4
401.17523	4.2
403.19299	2.8
407.22275	7.0
413.17618	3.2
414.18411	4.7
415.19293	8.2
416.20044	2.3
421.20248	5.7
428.20026	3.2
429.21286	7.0
430.21710	2.2
431.18338	1.6
433.16071	1.5
435.21521	6.7
436.22141	1.9
441.17239	1.8
442.17844	2.2
443.17795	3.6
443.22626	5.2
444.19461	4.8
445.20184	4.4
446.20932	1.6
447.17993	1.8
457.20245	5.5
458.21173	2.7
460.18979	1.9
461.19653	3.2
471.22363	7.2
472.22476	4.9
473.19662	4.5
474.20322	3.8
475.16922	1.6
485.19766	6.7
486.20239	4.6
487.21417	3.1
489.23727	3.0
490.19400	6.5
491.20447	2.6
499.21509	11.4
500.21817	3.2
501.22864	2.5
503.24911	2.8
513.19073	7.4
516.21362	1.8
517.22357	15.3
519.20227	2.7
527.20703	4.8
529.22882	1.7
531.24554	10.9
549.24884	8.5
559.23297	83.3
560.23755	6.3
577.24152	3.7
587.22668	16.7
589.91669	1.8
591.26166	4.4
605.23645	9.9
619.25403	80.9
620.25806	4.4
637.26428	100.0
637.41876	5.1
638.26544	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2651
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
55.15424	0.3
60.35960	0.3
67.05430	0.5
69.06982	0.3
70.25193	0.8
70.25591	0.8
81.03384	0.4
81.06999	0.8
93.06989	0.3
98.16854	0.3
98.21354	0.5
105.06921	0.4
109.10030	0.3
110.07372	0.3
141.41368	0.3
179.66235	0.4
182.09642	0.6
187.11267	0.3
196.09792	0.4
209.10596	0.5
221.10727	0.5
237.10291	0.3
336.14850	0.4
363.16080	0.7
374.16226	0.8
375.16772	0.5
376.17227	0.4
377.17432	1.2
378.18405	0.9
379.19147	0.4
385.14670	0.9
386.15656	0.7
387.16022	1.1
388.17429	1.2
389.18420	0.9
390.19028	0.9
391.19083	1.5
392.20038	1.2
393.20770	2.1
398.16049	1.1
399.16107	2.9
400.17017	3.6
401.13501	0.4
401.17712	4.2
402.18430	1.4
403.19504	0.6
405.16473	0.6
405.20868	0.9
406.21616	0.6
407.22195	3.5
411.16287	0.5
412.17203	1.0
413.17578	3.2
414.18558	5.2
415.19257	9.2
416.19858	1.3
417.16553	0.7
417.21085	1.0
418.18646	0.5
419.18604	1.0
421.19989	2.3
425.17719	1.6
426.18970	0.5
427.20081	2.2
428.20541	3.4
429.16489	1.3
429.21350	7.8
430.21884	2.6
431.18237	0.9
434.20694	0.6
435.21429	1.7
436.22476	0.6
439.19098	0.7
441.17075	1.8
442.17493	1.7
443.18280	3.8
443.22601	3.6
444.18872	5.1
445.20193	2.2
446.21365	0.5
447.17725	0.9
454.18369	0.4
455.18753	1.0
456.19727	1.9
457.20532	4.9
458.21091	3.9
459.17520	0.6
459.22293	0.5
460.18878	0.4
461.19293	0.7
462.20547	0.7
469.16254	0.7
470.16727	0.8
471.22235	7.3
472.23175	5.7
473.19382	4.7
474.20190	1.5
475.16830	0.5
475.21274	0.5
476.18289	0.4
483.18176	0.4
484.18988	1.4
485.19888	2.8
486.13956	0.6
486.20456	6.6
487.21295	2.8
488.22064	1.0
489.23462	1.8
490.19601	3.4
491.20621	0.8
499.21329	10.3
500.22705	3.6
501.23032	0.6
502.19644	0.8
503.24719	4.9
513.19360	1.0
514.19879	1.2
516.21765	1.5
517.22455	4.1
518.22229	0.4
527.20789	3.1
528.21509	1.3
529.22076	0.6
531.23938	11.9
532.23969	0.6
541.22046	0.6
543.23633	1.4
544.21228	0.7
545.21429	0.9
549.25140	0.9
559.23352	100.0
560.23639	5.6
578.25171	0.6
587.22870	15.7
588.23401	0.5
591.26105	0.5
605.23462	0.5
619.25439	93.4
620.25775	5.1
637.26501	10.1
637.41479	0.6
638.27307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
64.84400	0.2
67.05486	0.9
69.07050	0.3
79.05473	0.6
81.07047	0.5
83.08633	0.3
91.05460	0.3
91.59438	0.2
93.07058	0.2
95.08613	0.5
98.98456	2.7
107.08623	0.3
109.10164	0.3
118.06526	1.1
124.99989	6.5
132.08075	0.5
133.08751	0.3
137.20404	0.2
144.08076	8.2
145.08926	0.2
146.09555	0.5
158.09645	2.7
159.10439	1.8
160.11208	0.6
172.11186	2.7
173.09531	0.3
173.11986	0.3
176.14340	9.8
202.15891	85.6
203.16255	2.6
220.16949	9.8
229.77908	0.2
231.00218	0.2
243.08195	0.3
245.79306	0.2
300.13565	100.0
301.13950	2.2
576.24011	0.4
618.38947	0.9
619.25092	0.4
636.26160	0.2
636.40833	3.7
637.26349	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
55.01854	5.1
55.05501	12.4
57.03159	1.5
57.03430	28.9
57.07063	1.5
61.02908	5.3
65.03925	2.5
67.05496	75.6
69.03414	6.3
69.07060	18.6
71.01344	5.5
71.04979	7.3
71.74620	2.7
79.05016	2.3
79.05482	56.3
81.03408	82.7
81.07046	29.4
83.04978	14.5
83.08602	5.6
85.02894	17.9
85.06506	4.7
86.09676	1.4
91.03932	2.7
91.05468	95.4
93.07032	78.3
95.04965	10.1
95.08598	28.2
97.02881	5.0
97.06520	14.5
97.10146	10.6
99.04443	2.2
99.08099	1.8
103.05475	2.2
105.07019	10.9
107.04922	3.5
107.08578	37.6
109.06513	3.4
109.10141	24.8
111.08046	3.4
117.07008	10.5
119.08569	94.0
119.72417	1.3
121.06486	9.4
121.10110	12.5
123.04353	1.8
123.08088	2.2
125.09611	3.4
129.06976	3.4
133.10080	4.1
135.08031	4.5
135.11676	54.5
136.11943	1.6
137.09593	47.8
145.10089	11.7
147.08009	11.4
151.84361	1.4
153.12686	1.7
163.11180	7.4
165.09103	37.5
181.12202	12.6
183.10170	13.0
199.13173	2.2
201.11220	1.8
227.12854	1.6
229.12103	1.4
239.12746	36.4
239.15071	2.4
255.15884	99.4
256.16199	1.3
257.13815	35.3
327.19308	1.7
351.69629	1.4
393.22574	2.2
419.24234	100.0
433.61368	1.3
437.25308	76.9
438.25674	1.6
533.95935	1.4
553.70068	1.2
601.48566	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
55.01865	3.1
55.05508	8.9
56.05667	1.0
57.03430	51.1
59.04979	1.8
61.02921	1.9
67.05498	15.2
69.03413	3.5
69.07047	5.1
69.72390	8.7
71.04969	2.9
78.11375	1.1
79.05485	50.8
79.58672	1.1
81.03410	36.1
81.06596	1.8
81.07049	28.1
83.04979	9.2
83.08607	13.3
83.67680	1.2
85.02896	12.3
91.05470	19.2
93.07037	14.5
95.04955	11.9
95.08593	5.6
97.02864	3.2
97.06520	4.4
97.10155	3.1
99.04423	1.3
105.07039	9.2
107.04945	3.9
107.08587	27.9
109.06499	4.4
109.10155	2.1
111.04400	2.1
111.08053	6.0
115.05418	1.3
117.06991	4.5
119.08569	10.2
121.06465	1.7
121.10126	4.3
123.08071	2.2
125.09629	20.6
129.06990	5.8
131.08499	5.9
133.10136	5.3
135.08032	11.7
142.07745	2.4
145.10101	2.3
147.08075	1.7
147.11644	5.7
149.09619	4.1
153.01831	1.0
153.09090	16.2
157.10106	8.0
165.12750	1.9
171.10222	1.6
174.17061	1.1
175.11153	7.4
193.12231	22.6
211.13274	45.1
227.12755	100.0
257.40997	1.1
267.15884	23.1
285.16922	26.2
327.19406	2.2
393.22897	2.2
419.24268	23.1
437.25314	84.0
585.65320	1.2
602.07880	1.3
651.11359	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
55.01865	2.7
55.05508	19.6
57.03423	5.3
57.07051	3.6
59.04990	3.9
65.03931	4.8
66.28916	2.0
67.05496	100.0
69.03423	34.9
69.07060	16.0
71.01335	2.0
71.04963	3.2
71.52791	1.8
71.75482	2.3
79.05486	30.3
81.03409	21.8
81.07047	44.6
83.04970	8.4
83.08612	12.5
85.02898	3.7
85.06527	7.0
87.04481	2.2
91.05471	35.1
93.07036	39.4
95.04949	16.6
95.08595	29.0
97.02883	4.1
97.06517	5.5
97.10163	7.1
99.04440	3.7
105.07013	32.6
107.04967	4.6
107.08572	25.0
109.02867	3.9
109.06490	9.2
109.10147	57.2
111.04416	5.0
111.08078	6.2
117.07023	14.9
119.08556	28.7
121.06492	4.4
121.10127	18.1
122.10439	1.8
122.34146	1.6
123.08041	7.4
123.11665	4.0
125.05948	2.2
125.09613	4.3
127.03925	3.5
128.06235	2.7
129.06993	9.8
131.08559	17.9
133.06462	3.5
133.10101	14.4
135.08026	7.2
135.11647	9.4
137.05995	1.9
137.09593	6.8
139.07434	2.1
139.11234	2.3
142.07835	2.5
143.08557	10.5
145.06442	3.7
145.10129	16.1
147.08070	2.6
147.11696	9.5
149.09590	5.4
149.13226	4.1
151.07558	2.3
152.17416	1.9
155.08537	4.7
155.10632	2.5
157.10168	11.7
159.08040	6.5
159.11642	12.5
161.09592	7.0
161.13257	3.1
163.11154	3.2
163.14873	2.4
165.09039	3.5
165.12868	1.8
167.08507	2.5
167.10643	3.2
169.10114	7.6
171.08014	1.9
171.11691	10.4
173.09610	2.8
173.11742	12.0
173.13290	7.7
175.11205	2.9
177.12810	1.8
179.08539	2.4
181.10112	4.6
181.12206	2.2
182.10687	1.8
183.11679	4.0
185.09601	4.1
185.13226	4.3
187.11150	3.6
189.11192	3.5
189.12711	4.4
191.14296	2.2
195.11723	2.1
197.13264	4.2
199.11266	2.2
199.14853	3.6
203.14243	2.5
207.13794	3.1
209.13187	3.1
211.11214	2.1
213.16539	1.9
221.15329	6.1
223.14798	2.2
229.14235	14.6
233.15439	2.8
261.22058	2.9
273.22122	2.3
274.94135	1.8
286.19272	4.0
287.19824	2.2
299.14758	2.1
301.21640	5.9
351.23096	4.0
353.24631	1.9
369.24237	8.1
387.25220	4.0
426.28403	1.8
443.27859	2.5
461.28824	3.4
533.30249	2.0
597.38312	3.0
615.39325	7.1
633.40161	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.4
54.41789	2.1
55.01861	3.3
55.05502	16.3
57.03428	23.5
57.07059	6.0
59.04987	2.8
61.02919	86.1
65.03931	2.7
65.08276	1.8
66.53731	1.4
67.05498	45.7
69.03420	34.1
69.06794	1.3
69.07068	15.6
71.01330	4.8
71.04980	5.6
71.14430	3.8
73.02905	28.4
73.57182	1.6
75.04457	1.7
79.05488	23.0
81.03412	23.8
81.07046	59.0
83.04968	8.9
83.08607	12.3
85.02895	100.0
85.06525	3.4
85.31149	1.7
87.04467	2.8
91.03944	59.9
91.05473	22.4
93.07036	27.9
95.04950	9.3
95.08595	37.0
97.02882	72.4
97.06529	7.1
97.10154	3.5
99.04445	12.0
99.08075	6.8
101.02348	5.3
103.03336	1.6
103.03933	8.8
103.05476	2.5
105.07015	21.0
107.04967	2.6
107.08587	17.8
109.02891	10.2
109.06493	6.0
109.10126	14.5
111.04442	4.8
111.08116	2.7
113.09638	2.9
115.03909	7.4
117.05465	3.1
117.07002	7.2
119.08566	18.9
121.06486	3.3
121.10128	20.5
123.08030	8.2
123.11714	11.7
125.05946	2.3
125.09619	3.4
127.03902	33.1
128.06245	2.3
129.05467	5.6
129.06978	3.7
131.08571	9.1
133.10095	17.1
135.08064	5.0
135.11667	11.0
137.09569	2.0
137.13258	4.7
139.11197	1.6
143.08543	6.1
145.04950	22.0
145.10127	9.7
147.08011	3.8
147.11681	11.1
149.09598	7.4
149.13234	3.5
151.07501	3.9
151.14795	4.5
154.07642	2.2
155.08527	2.1
156.09261	1.8
157.10107	5.5
159.06564	2.8
159.08032	2.4
159.11656	7.5
161.09624	3.1
161.13257	7.1
163.05971	6.5
163.07433	1.9
163.11157	5.5
165.07011	1.5
165.09087	2.9
167.08527	2.0
167.10664	8.7
169.10153	2.9
171.06483	2.8
171.11685	7.8
173.09578	3.7
173.13165	3.5
175.11140	2.1
175.14835	3.8
177.09065	1.9
181.10062	3.1
181.12198	4.9
183.06587	8.8
183.11725	3.4
185.09669	2.5
185.13261	4.9
187.11221	2.4
187.14732	1.8
189.12662	3.5
191.14352	2.9
193.10361	1.9
193.12195	2.6
195.11604	2.4
197.13239	2.9
201.07565	5.5
203.14281	2.6
207.13806	3.1
211.14740	1.8
213.12735	2.0
213.16156	1.5
215.14375	2.1
217.15999	1.5
217.19492	15.4
221.13416	1.7
221.15381	5.3
233.15372	3.3
235.20567	15.8
240.13266	1.7
245.15334	1.9
246.01157	1.5
269.19101	1.8
275.20233	2.3
286.19333	1.9
299.20172	1.7
309.24225	66.6
337.23889	3.4
343.22543	4.1
417.26254	3.0
435.27502	2.9
453.28342	7.6
569.25507	1.7
615.40247	4.5
633.42310	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08851	1.0
53.03946	5.7
55.01853	4.7
55.05505	11.8
57.03430	24.9
59.04986	1.4
61.02918	85.9
65.03929	1.4
67.05498	36.9
69.03419	33.5
69.07066	6.9
70.01864	3.0
70.02283	4.5
71.01331	4.1
71.04969	4.4
73.02903	27.0
79.05483	36.5
81.03412	24.4
81.06596	2.3
81.07047	33.7
83.04976	3.9
83.08593	4.2
85.02894	100.0
85.06509	2.2
87.04449	4.1
91.03945	60.3
91.05460	20.0
93.06432	1.3
93.07031	38.6
95.04906	6.3
95.08600	22.5
97.02879	83.4
97.06509	2.6
99.04449	11.7
99.08078	3.7
101.02386	6.1
103.03925	7.6
105.07020	16.1
107.04922	1.7
107.08571	15.1
109.02863	11.7
109.06492	4.2
109.10149	12.8
111.04423	2.7
111.08063	2.8
115.03909	6.6
117.05492	2.0
117.06979	7.1
117.14797	1.3
119.08549	12.5
121.10126	21.6
123.08057	2.8
123.11680	4.4
125.09563	1.9
127.03899	34.9
129.05452	5.0
129.06911	2.5
131.08549	9.1
133.10115	12.3
135.08083	1.4
135.11670	15.4
137.09624	2.7
141.06978	1.2
143.08554	1.8
145.04948	22.9
145.10107	10.8
147.08049	1.5
147.11623	8.7
149.09596	3.6
149.13220	7.9
151.11107	1.6
155.08517	1.8
157.10091	2.5
159.06577	2.0
159.11684	8.7
161.09612	2.2
161.13275	3.9
163.06024	7.8
163.11252	2.8
167.10664	3.4
169.10034	2.3
171.06476	2.2
171.11653	4.9
173.13235	5.1
175.11113	1.4
177.12878	2.0
183.06543	5.6
185.09453	1.5
185.13240	2.1
187.14799	2.1
189.12680	1.5
191.14328	1.6
197.09608	1.4
201.07585	3.7
205.19603	1.6
213.16252	1.9
215.17940	11.8
231.17435	2.6
233.18929	8.0
275.19907	1.5
307.22641	56.5
335.22128	3.7
341.20908	1.4
379.10431	1.3
415.24789	2.6
433.26450	2.1
451.26852	6.7
543.66992	1.3
636.10754	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47517	3.0
67.05498	8.9
69.07068	5.5
69.60322	30.1
79.05507	4.6
81.07063	9.3
81.51961	3.0
83.05008	5.7
91.05463	10.9
93.07040	7.0
95.08619	6.2
97.06483	3.5
98.20634	7.8
105.07027	8.6
105.27869	3.4
107.08546	5.3
109.10106	3.9
111.08044	3.4
113.89935	3.0
119.08596	9.2
121.10096	5.0
133.10031	3.4
143.08562	4.1
163.11226	3.4
181.12271	3.9
257.54083	3.4
350.36172	3.7
370.79645	3.2
511.24481	6.3
522.19812	6.1
536.21216	3.6
537.14630	6.3
537.22546	100.0
555.23627	39.8
569.24835	5.6
581.21625	22.3
587.25989	31.1
613.24048	22.0
631.25220	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11600	0.6
53.94315	0.6
55.01866	2.1
55.05510	3.5
55.38006	0.6
57.07072	32.9
59.04993	1.4
67.05502	4.4
69.03416	0.7
69.07059	5.1
70.70912	1.2
71.04980	0.8
71.08625	24.0
73.06554	9.1
79.05480	2.9
79.39358	0.6
81.07049	3.3
83.04961	1.5
83.08601	3.7
85.10175	18.6
87.04463	7.6
89.06023	100.0
91.05483	3.7
91.07556	0.6
93.07032	5.2
95.04972	1.7
95.08603	2.5
97.06509	2.5
97.10178	4.0
99.04436	0.8
99.11709	3.5
103.22169	0.6
105.07021	2.7
106.07264	0.6
107.04948	0.8
107.07070	4.3
107.08598	2.3
109.06507	1.4
109.10153	1.6
111.11756	0.7
113.13276	1.1
117.06999	1.4
117.09124	6.5
119.08569	2.4
121.06457	0.7
121.10170	2.9
123.08064	1.3
125.09578	0.6
129.06953	1.0
130.08617	3.0
131.07036	2.1
131.08569	2.5
133.08595	53.1
133.10184	1.4
135.08025	1.1
135.10158	0.8
135.11646	0.7
137.09613	0.8
143.08554	0.8
145.10104	2.1
147.08041	1.1
148.28281	0.6
149.09688	0.7
149.13216	0.6
151.07555	0.5
155.17961	4.5
157.10103	0.6
159.11629	1.1
161.09608	0.8
161.11757	1.9
163.11150	0.8
171.11722	0.8
173.54431	0.5
175.09668	1.8
177.11209	20.9
177.12776	1.0
184.10643	0.6
189.12781	0.8
199.20586	3.3
219.12206	0.6
221.13625	3.5
221.15695	0.8
233.15486	0.7
239.14766	1.3
240.23308	1.3
243.23167	8.1
249.44969	0.6
265.16431	0.7
283.17502	1.6
287.25778	5.2
291.19476	1.2
292.19882	1.2
327.20099	1.1
366.23456	0.8
393.32233	0.7
459.28149	2.7
603.66492	0.7
612.39313	1.8
613.45575	3.0
630.48010	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.225
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.01865	0.9
55.05499	1.7
67.05480	2.6
69.07047	1.2
69.21927	0.6
70.93750	1.5
79.05495	3.5
81.07036	4.3
83.04962	1.2
83.78038	0.6
85.06503	0.8
89.20961	0.6
91.05475	3.3
93.07047	3.1
93.29442	0.6
94.69755	0.7
95.04982	1.5
95.08594	2.3
97.06547	1.2
105.07008	3.7
107.04948	0.7
107.08579	2.7
107.09252	0.6
109.06497	1.7
109.10124	1.1
111.08081	0.7
111.59930	0.7
117.07024	1.3
119.08563	2.3
121.10136	3.2
123.08043	1.2
123.11619	0.9
129.06984	1.1
131.08536	1.4
133.10106	2.0
137.09602	1.2
143.08563	1.3
145.10107	2.4
147.07982	1.0
147.11646	1.1
149.09573	1.0
155.08556	0.7
156.09256	0.8
157.10063	1.0
159.08075	1.1
159.11688	1.0
161.09644	0.8
167.10646	1.3
169.10107	1.0
171.11731	0.7
195.11746	0.7
221.13307	0.8
221.15341	0.6
224.08914	0.6
225.10216	1.3
233.15327	1.1
243.11290	1.9
244.11629	1.8
245.11852	0.7
254.40628	0.7
268.11487	1.2
290.80560	0.8
319.35474	0.7
396.12088	1.3
397.12897	2.0
398.13718	2.0
399.14505	1.0
400.15274	1.9
409.12961	1.0
410.13638	3.7
411.14496	7.8
412.15335	5.5
413.16141	5.4
414.16953	0.9
423.14502	2.0
424.15964	3.7
425.16290	14.9
426.11884	1.0
426.16895	11.9
427.17538	3.8
428.18750	3.9
429.19885	0.8
430.15796	0.9
437.15942	0.9
438.12140	3.6
438.17798	1.4
439.13498	23.0
440.12888	1.2
440.18881	11.4
441.19263	43.6
442.19165	2.6
452.14410	5.3
453.15338	28.5
454.15964	6.6
455.21075	1.2
456.17932	1.5
458.15170	0.9
463.13641	0.9
465.15649	1.1
466.18335	0.7
467.17010	28.5
468.17841	22.5
469.18854	11.9
471.16577	2.0
472.17856	1.8
481.14624	11.2
482.15555	1.9
482.21402	1.0
484.21756	3.7
485.17935	2.3
486.18994	1.2
495.16797	2.6
496.17102	16.7
497.17383	2.3
498.18558	2.0
499.19067	2.3
500.20407	4.8
509.18634	2.0
512.21375	1.3
513.21814	6.8
514.22125	1.1
523.19318	2.8
523.74579	0.8
526.18146	0.9
528.19574	2.0
541.20831	52.6
542.20972	3.5
550.25403	1.0
551.18256	1.0
551.25763	1.8
554.17407	0.9
568.26184	2.0
569.20007	100.0
570.20398	6.3
572.19012	1.7
573.23163	3.0
596.25647	1.3
597.18988	29.2
598.19806	1.2
600.21820	1.8
601.22833	16.1
602.22681	1.0
611.38788	0.8
615.20740	2.1
624.90546	0.8
629.21533	74.0
630.22571	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.1
57.07070	29.9
67.05502	3.8
69.07062	4.1
71.08626	31.2
71.59138	1.0
73.06556	8.8
73.59209	1.2
78.45495	1.2
79.05470	2.7
80.32528	1.1
81.07051	3.6
83.08593	4.9
85.10168	15.0
87.04445	7.4
89.06023	100.0
91.05491	2.2
91.07583	1.7
93.07007	2.5
94.60745	1.0
95.08607	3.1
97.10155	5.2
98.20654	2.2
99.11735	2.7
105.07026	3.0
107.07046	3.8
107.08603	2.4
109.10114	1.2
111.11713	3.1
113.13317	1.8
117.09148	5.7
119.08609	1.3
119.17374	1.1
121.10112	1.0
121.67315	0.9
123.11673	1.2
125.13289	2.1
127.14808	1.8
130.08615	6.1
131.07008	2.5
133.08591	52.0
135.10097	1.1
135.23830	0.9
141.16371	2.2
145.10236	1.0
159.11565	1.2
175.09547	1.5
177.11208	22.9
195.13972	1.3
197.22662	2.7
221.13757	5.1
239.14880	1.3
241.25191	2.2
272.84885	1.1
283.17447	2.1
285.27759	5.1
327.19907	1.6
329.30460	3.0
415.25183	5.0
611.47144	5.5
628.47693	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.7
53.36151	2.3
55.01863	15.5
55.05504	37.5
56.82050	2.1
57.03419	10.1
57.07047	4.3
65.03938	5.7
67.05499	100.0
69.03406	7.3
69.07063	43.9
71.04977	6.6
71.75222	5.1
79.05022	3.5
79.05485	71.4
81.03416	3.1
81.07047	98.0
83.04978	9.0
83.08613	15.8
83.72359	2.1
85.06536	7.8
91.05466	69.0
93.07036	73.8
95.04953	21.9
95.08593	62.6
97.06510	16.5
97.10152	13.8
98.19347	2.6
99.08086	7.2
103.05430	3.0
105.07015	54.9
107.04929	21.4
107.08581	49.3
109.06525	10.4
109.10133	35.8
111.04488	2.4
111.08045	6.6
117.07030	23.3
119.08577	49.3
121.06519	7.6
121.10118	33.7
123.08038	9.8
123.11678	11.5
125.09611	11.1
128.06219	3.1
129.06996	9.6
131.08554	34.8
133.06580	3.0
133.10115	28.6
135.08046	9.4
135.11673	15.7
137.09584	6.3
137.68810	2.6
141.06989	4.5
143.08571	13.6
145.10127	31.8
147.08023	4.7
147.11653	21.5
149.06056	2.5
149.09602	17.7
149.13240	10.1
151.11241	4.7
155.08557	4.3
157.10103	9.5
159.11699	19.9
161.09596	4.2
161.13242	9.2
163.11194	6.2
163.14809	4.9
164.48679	2.7
165.12807	4.7
169.10075	8.2
171.11679	11.7
173.13281	8.7
175.11116	5.3
175.14816	4.6
181.10150	2.7
183.11667	6.7
185.13293	7.5
187.14883	6.8
189.11143	4.3
189.16376	3.1
197.13303	4.1
199.14809	8.0
201.12761	3.4
201.16417	4.4
209.13336	3.5
211.14775	3.4
223.13068	3.1
227.12766	6.7
229.19522	3.4
239.17928	4.1
241.19717	3.0
245.15347	4.0
257.19156	6.5
259.20627	5.6
261.22107	5.3
263.16464	4.2
273.18588	6.0
275.19998	53.1
277.21585	5.2
291.19547	16.1
293.21017	5.1
331.22803	3.6
335.25699	27.8
349.23755	20.9
351.25421	3.1
365.22958	3.2
535.41022	4.0
553.42181	3.3
555.40417	3.5
609.45551	30.0
627.27020	4.0
627.38257	22.5
627.47394	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.6
55.01870	23.7
55.05262	3.2
55.05504	33.0
57.03416	11.0
57.07055	4.2
59.04987	3.8
65.03926	4.4
67.05495	97.2
69.03400	3.8
69.07050	32.6
71.04984	5.6
71.08623	4.8
71.75791	4.3
79.05485	79.1
81.03395	7.8
81.07045	100.0
82.35743	2.6
83.04984	7.5
83.08617	20.4
85.06526	5.6
91.05466	63.3
93.07030	89.9
93.63168	2.6
95.04951	19.2
95.08595	67.1
97.06518	24.7
97.10166	8.3
99.08044	5.6
102.59337	2.6
105.07013	59.9
107.04936	13.8
107.08571	50.5
109.06495	9.7
109.10143	32.2
111.08047	6.2
117.07036	20.1
119.08562	45.7
121.06480	7.5
121.10129	31.5
123.08071	5.1
123.11689	13.3
125.09612	9.6
128.86160	3.0
129.06982	10.2
130.07739	2.9
131.08542	35.0
133.10123	42.7
135.08047	4.8
135.11673	23.3
137.09572	3.2
141.06981	6.1
143.08530	14.4
145.10098	38.1
147.11665	25.0
149.09619	20.0
149.13258	10.2
151.11137	3.9
155.08589	7.0
157.10095	13.6
159.11664	24.8
161.09602	4.3
161.13206	16.8
163.11165	12.2
165.12778	3.1
169.10121	11.1
171.10350	3.6
171.11612	14.8
173.13251	15.8
175.14803	7.0
179.14221	6.1
181.10172	4.6
183.11713	10.9
185.13258	11.5
187.14844	6.0
189.11174	5.1
195.11693	3.6
197.13295	6.0
199.14862	3.2
201.16391	6.9
203.17834	3.5
209.13304	4.0
209.15326	2.6
211.14819	5.3
213.16414	3.5
219.17455	6.4
227.12770	9.1
227.18001	3.3
229.19469	4.0
237.16289	3.5
239.17885	5.6
253.19298	2.9
257.18997	7.8
259.20645	3.5
261.22052	8.3
267.16052	3.0
273.18405	3.7
275.20044	68.6
277.21616	9.3
293.21155	5.9
331.22769	4.3
333.24097	6.4
335.25784	42.6
349.23706	31.5
395.61148	2.8
441.33682	3.8
496.71439	3.0
515.37225	7.4
517.40167	6.6
529.38556	7.0
535.41235	7.5
553.42145	5.4
555.40063	8.0
591.44244	4.0
609.45087	60.4
627.28943	5.9
627.46136	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82388	3.5
53.03929	9.0
55.01863	18.3
55.05497	36.6
57.03415	12.3
57.07055	3.9
58.68646	3.5
65.03936	4.7
67.05498	79.7
69.07072	37.6
69.91717	12.9
69.92131	12.4
71.04988	5.2
71.08616	4.4
79.05486	76.6
81.03423	7.9
81.06602	5.5
81.07046	100.0
83.04965	6.1
83.08601	16.4
89.06008	4.9
91.05468	69.6
93.07037	79.5
95.04942	15.9
95.08588	61.3
96.04281	3.7
97.06527	21.9
97.10173	14.3
98.21336	4.6
105.07013	60.8
107.04951	15.8
107.08584	47.1
109.06514	11.3
109.10143	23.4
117.07036	22.6
119.08560	45.8
121.06381	5.3
121.10112	28.6
123.11686	8.1
125.09592	12.8
129.06995	15.2
131.08539	36.6
133.10107	38.4
135.08119	9.0
135.11664	16.3
137.09590	4.4
141.06985	7.4
143.08553	16.5
145.10104	34.1
147.11665	21.5
149.09618	11.7
149.13234	7.0
151.11137	6.0
155.08554	4.6
157.10120	15.3
159.11604	21.5
161.13228	12.0
163.11177	12.9
169.10118	8.9
171.11656	13.6
173.13272	11.9
177.12630	6.7
179.14302	4.7
183.11684	10.5
185.13208	9.4
187.14790	8.8
189.11185	3.8
195.11635	8.6
197.13069	6.1
199.14899	5.5
209.13394	4.4
215.18057	4.1
229.19745	4.2
239.17899	4.8
243.15794	4.7
257.18973	6.9
259.20337	5.2
275.20062	54.5
277.21542	4.7
293.21094	10.4
329.47803	4.1
335.25793	45.5
349.23584	21.3
515.37244	5.2
529.38629	4.9
535.40942	8.3
545.64575	4.2
555.40228	5.3
609.45245	52.4
627.25909	4.6
627.46289	49.5
639.97382	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63200	0.5
55.01782	0.7
60.15350	0.5
60.90272	0.5
66.06101	0.5
67.05363	1.8
69.06956	0.9
70.02843	0.7
71.29871	0.8
77.66021	0.6
79.05350	1.7
79.05772	0.9
81.06893	1.7
81.07327	0.8
83.04853	0.8
91.05311	2.1
93.06899	1.3
93.07419	0.6
94.06456	1.1
95.04855	1.1
95.08470	0.7
97.11835	0.5
105.06844	2.2
105.07484	0.7
107.08440	1.2
109.10021	0.8
119.08438	1.1
120.04222	0.6
121.09979	0.6
122.05870	0.7
129.06866	0.8
131.07167	1.2
131.08301	1.0
131.43248	0.5
133.09924	0.7
134.05847	0.7
136.07436	1.3
145.06288	0.6
146.05858	0.8
146.09473	1.0
148.07484	0.6
159.11528	0.8
160.79517	0.6
169.09984	0.7
173.08234	0.8
174.09145	4.4
177.89618	0.7
183.08844	0.8
185.06870	0.7
186.09108	0.8
187.08481	1.2
187.12259	4.8
188.10449	2.4
188.11975	0.6
197.10568	1.2
199.08376	1.7
211.08400	1.2
211.11911	0.7
213.10091	0.9
215.11778	2.9
221.10564	0.7
223.12233	0.6
224.09274	1.3
225.10245	3.3
226.10710	1.2
227.11772	3.3
228.08725	0.9
235.08487	1.6
236.09438	0.7
237.10033	0.8
239.11559	2.6
241.13289	3.2
243.11250	24.8
244.11139	0.7
249.09964	2.1
250.08318	0.7
251.11520	2.0
252.08755	1.0
253.09457	1.7
253.13191	0.9
263.11578	0.8
265.09482	1.0
267.11243	7.1
269.12653	1.5
271.10587	0.8
275.19882	0.8
277.09482	2.1
285.12323	3.2
291.11041	1.0
295.10715	2.7
300.11105	1.7
300.14545	0.8
301.15308	1.9
309.12192	1.1
313.13016	0.7
314.12622	2.2
315.10092	0.8
315.13785	0.8
316.10590	2.5
316.14029	1.0
319.10303	1.7
320.13681	1.4
325.15454	11.9
327.13437	3.8
328.10556	1.9
328.14294	2.6
329.11227	1.4
330.12152	3.0
330.15826	1.4
331.12750	1.0
332.13843	0.9
334.15424	1.1
342.12518	4.3
342.16156	1.2
343.13052	3.9
344.13791	4.2
345.14490	1.4
346.15286	2.5
348.13373	4.7
351.13098	1.2
352.14240	0.8
354.12000	0.9
354.15952	1.1
355.13181	0.9
356.13953	3.7
357.14508	1.7
358.15494	4.0
359.15997	1.0
370.15494	2.7
371.16266	0.9
372.12885	1.0
372.17126	5.1
374.14410	1.2
374.18884	0.8
382.15274	1.0
384.13000	0.8
386.14648	2.1
386.18631	1.7
390.18671	0.8
398.14795	0.9
400.16541	3.0
402.14005	0.7
403.15692	2.0
404.16068	1.1
405.17090	1.4
407.15234	1.1
408.16000	0.8
412.16519	1.4
418.17480	2.2
419.17883	0.7
420.16409	1.1
421.16870	1.0
422.17484	1.0
423.17767	0.8
430.17661	1.6
431.18109	1.8
432.19214	4.7
433.20309	1.4
435.13980	1.8
435.18820	2.0
436.19708	1.1
437.20197	3.1
444.18869	0.7
447.21594	3.0
448.15430	1.2
449.15536	2.1
449.20401	1.7
450.15826	2.8
451.16434	2.9
452.22189	1.1
460.18619	2.3
461.23044	2.3
462.19058	0.9
462.24036	2.6
463.21005	3.5
464.18256	1.1
465.18756	16.0
466.19812	1.9
473.19891	1.1
475.21738	0.7
476.19406	1.0
477.18762	1.3
478.19781	2.5
479.20480	7.5
480.21402	6.2
481.22165	3.8
482.32788	0.6
489.22751	2.2
490.20349	2.0
491.20956	1.8
492.21512	3.7
493.22824	5.4
494.23328	1.0
502.20013	1.0
504.21265	1.4
505.21320	0.9
506.22919	1.7
507.24002	5.1
508.21118	2.3
517.22333	2.5
519.20026	1.0
520.20862	1.2
521.25232	0.8
522.23944	1.0
535.23218	9.9
541.24249	0.9
549.24896	15.6
550.24377	0.9
552.23871	1.0
553.24329	1.8
554.24957	0.9
563.22705	1.6
567.25940	96.3
568.26331	4.9
577.24548	3.0
595.25427	100.0
596.25818	5.5
599.28528	0.7
609.27094	1.1
619.47430	0.7
627.28046	43.6
628.28137	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2806
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05442	1.0
55.05680	0.7
67.05385	2.3
67.37353	0.5
69.06978	1.1
69.07288	0.6
69.95926	2.0
69.96349	1.6
70.02862	0.6
79.05373	2.0
81.06912	2.0
83.04892	0.7
85.06402	0.6
86.40960	0.5
91.05350	2.9
93.06898	1.8
93.07449	0.6
95.04829	2.1
95.08498	0.6
97.06426	0.9
98.20742	0.8
105.06930	1.6
107.04841	1.1
107.08482	1.1
108.07984	0.6
109.06417	1.4
109.10066	0.7
113.05869	1.6
117.06886	0.8
119.08443	1.3
120.04291	0.8
121.09989	1.1
122.05876	1.0
129.06866	0.8
131.07190	1.4
131.08412	1.6
133.09970	0.8
135.07928	1.1
136.07394	2.3
143.08395	1.1
145.09950	0.6
146.09473	1.9
149.09528	1.0
156.07953	0.6
159.09108	0.8
161.07031	0.7
161.09373	0.6
170.09619	0.8
172.07463	0.9
174.09140	5.5
187.08542	1.4
187.12334	5.5
188.10698	2.8
190.04874	0.8
195.09154	0.6
197.07036	0.7
197.10632	0.9
198.09143	0.9
199.08456	0.8
199.14690	0.6
200.09196	1.1
210.07558	0.7
211.08469	2.1
212.09242	1.7
213.09956	0.9
215.11827	3.6
223.08659	1.2
223.12091	0.8
224.09285	1.4
225.10265	3.9
227.11736	4.4
235.08461	1.8
236.09279	0.7
237.10097	1.9
239.11775	2.9
241.09488	0.8
241.13374	3.3
243.11285	28.3
244.11340	0.7
249.10031	2.0
251.07976	0.8
251.11784	2.7
252.08813	1.3
253.09700	2.9
255.11201	0.6
263.11612	0.8
265.09546	1.3
267.08728	0.7
267.11276	8.2
269.12631	2.1
273.18066	0.7
275.19992	0.6
277.09531	2.6
283.14172	0.8
285.12299	3.5
291.11029	1.6
291.14420	0.8
291.19431	1.3
293.12564	1.5
295.10794	3.9
299.13922	1.4
300.11029	0.9
301.15631	3.2
302.12744	0.8
303.57825	0.6
304.10873	0.9
305.11658	0.7
306.12363	0.9
309.12158	2.6
311.14093	0.8
312.11307	0.9
313.12018	0.7
314.12720	1.7
315.13611	1.1
316.10785	1.1
316.14236	1.4
317.11591	0.7
318.12256	0.9
319.10495	1.6
320.13916	1.1
325.12222	0.8
325.15503	9.5
327.13431	8.2
328.10605	3.0
328.14395	2.2
329.11581	1.5
329.15234	1.1
330.12567	2.7
330.15796	1.3
331.13132	1.0
331.16873	0.6
332.13977	0.9
334.15439	1.9
341.11548	1.4
341.15256	0.8
342.12292	4.0
342.15787	1.0
343.13205	4.1
344.13766	5.1
344.17511	1.1
345.14676	1.4
346.15314	2.2
348.13440	4.7
351.13120	1.4
354.12201	1.0
355.12939	1.4
356.10114	1.0
356.13870	4.5
357.14618	2.2
358.15424	4.6
359.16180	1.2
360.16821	1.6
362.15054	1.2
366.18054	0.6
368.14233	0.6
370.11371	1.0
370.15613	4.0
371.16696	1.2
372.17154	5.4
373.13763	0.9
373.17908	1.0
374.14749	0.8
381.17014	0.6
382.15549	1.0
384.17130	1.6
385.13840	0.7
385.18198	0.7
386.14749	2.0
386.18692	1.7
387.15155	0.9
390.14111	0.8
394.17062	0.8
398.14651	1.4
400.16550	3.5
403.15796	2.4
407.18854	0.7
412.16425	1.6
415.15131	0.8
416.15659	1.4
417.16956	1.0
418.17685	1.3
419.18768	1.3
421.16650	0.9
422.17209	1.3
423.18304	1.1
430.17453	2.1
431.18253	1.7
432.19418	3.9
434.13586	0.8
434.20612	0.9
435.14069	1.5
435.19162	0.9
437.19769	2.5
438.20813	0.9
444.18802	0.7
445.19693	0.9
447.17017	1.2
447.21756	2.2
448.20551	1.0
449.15222	1.0
449.20288	1.6
450.15994	1.3
450.21445	1.2
451.17429	1.8
451.22275	0.9
460.18375	2.0
461.23300	2.6
462.23813	3.0
463.22284	3.1
465.18799	15.3
466.19431	1.4
472.19269	0.8
474.20786	0.9
475.20969	0.8
476.20322	0.9
477.19421	2.4
478.20230	2.2
479.20483	7.8
480.21786	4.0
481.22360	4.3
489.22748	1.7
490.19241	1.0
491.20511	1.7
492.21655	3.4
493.22818	5.2
494.22833	0.9
495.23584	0.7
502.19452	0.9
504.21341	4.0
505.21783	1.1
506.23026	1.3
507.24164	5.1
508.21289	0.8
517.22339	1.3
520.20880	1.1
521.24951	2.0
522.22864	0.7
525.24188	0.8
534.23029	0.8
535.23370	7.4
537.21533	1.0
539.26758	0.8
541.24780	1.1
549.24969	16.3
550.24445	1.4
552.23401	0.7
553.24377	1.9
563.23407	0.8
567.25983	77.0
568.26410	4.3
577.24310	2.2
595.25476	55.1
596.25500	2.9
609.26953	1.4
627.28094	100.0
628.28448	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.28
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05484	0.8
56.96556	0.6
67.05484	2.0
69.07054	1.8
69.07416	0.5
78.66827	0.4
79.05481	2.4
81.03419	0.6
81.07045	1.9
86.52084	0.4
91.05470	1.5
93.07032	1.4
95.08611	1.3
97.06548	0.7
98.13979	0.5
105.07008	1.4
107.08588	1.1
109.06535	0.7
109.10148	0.7
111.08142	0.5
117.07024	0.6
119.08598	1.3
121.06490	1.4
121.10161	0.6
131.08539	1.0
133.10129	1.2
135.08017	0.5
145.10077	1.2
147.11665	0.6
176.14572	0.6
259.21011	0.5
272.60944	0.5
285.24637	0.5
309.00140	0.5
321.45850	0.5
376.17038	0.6
377.17752	0.9
379.19470	1.0
391.19357	1.4
392.20392	0.6
393.20673	2.1
405.16977	2.1
405.59473	0.5
406.17798	1.0
407.17789	0.7
407.22739	3.4
407.55588	0.6
418.17950	0.7
419.18417	4.2
420.19400	2.0
421.20245	4.1
422.20593	0.8
423.21686	1.8
432.19193	0.6
433.20154	4.4
434.21240	3.6
435.22147	6.7
436.22562	1.4
446.21466	0.5
447.21906	1.4
449.19556	7.7
463.21213	2.7
464.22293	1.3
465.18790	0.9
467.24112	0.6
479.20441	3.0
480.21454	1.0
481.22418	2.0
493.22287	1.8
494.22964	2.7
495.23920	2.7
507.23981	12.1
508.24664	0.9
509.25635	0.7
521.21796	0.8
526.25873	0.8
539.23132	1.8
549.24902	0.9
553.24554	0.8
559.10638	0.6
567.26068	17.8
568.26709	1.5
627.28082	100.0
628.28546	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.3
61.02916	4.4
69.03412	1.1
69.96126	1.5
70.06580	0.3
73.02906	0.8
80.36524	0.2
81.03413	0.5
85.02895	3.8
90.12815	0.2
91.03951	2.5
97.02878	2.3
111.00775	0.7
121.02836	0.8
127.03896	0.8
137.02335	2.7
145.04938	0.4
149.02324	0.3
153.01810	2.8
163.03854	0.5
165.01830	1.8
183.02879	0.6
184.21263	0.2
201.05434	1.1
219.06564	0.3
229.04909	3.8
247.05910	0.7
257.04440	2.9
274.04700	0.5
285.03934	1.2
303.04959	100.0
304.05292	1.6
314.01126	0.3
358.59467	0.3
398.61572	0.3
465.10251	7.8
553.60406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
55.05493	4.3
55.79237	0.9
56.05025	6.1
56.05276	1.3
57.07076	1.1
58.06593	100.0
58.77919	1.0
67.05498	6.0
69.07060	2.8
69.46008	1.2
69.46405	9.1
69.54812	0.8
72.48413	1.0
79.05473	4.3
81.07043	7.9
83.06106	6.9
83.08603	4.8
84.04495	90.3
86.09700	13.8
91.05460	4.8
93.07030	6.4
94.80167	1.0
95.04915	1.4
95.08589	6.0
97.10157	1.4
100.11226	2.4
101.07129	99.7
103.08702	1.2
105.06994	3.0
107.08581	2.9
108.08109	1.3
109.06503	1.2
109.10152	2.2
117.06995	1.6
118.12278	17.9
119.08531	2.1
121.10120	1.9
128.10695	3.4
129.06589	3.1
131.08548	1.8
133.10118	1.4
145.10121	2.0
147.11644	1.5
152.10675	2.0
160.62866	0.9
173.13252	1.1
174.40598	0.9
177.63994	1.2
180.06511	1.6
196.14415	8.0
197.12820	6.3
213.19731	5.1
214.11885	2.3
214.15498	4.4
214.88904	0.9
224.14059	1.5
231.20616	7.6
240.23274	8.8
242.14967	4.0
268.22678	33.3
274.18451	1.2
323.24332	1.4
324.22842	5.5
335.25723	1.6
341.25366	7.1
342.23663	1.5
359.26480	3.1
396.28571	61.9
397.28833	1.2
451.16589	1.2
509.36871	3.3
529.38861	1.8
566.24896	6.0
608.47461	12.2
627.46362	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.8
54.11227	1.2
55.01855	4.6
55.05504	25.2
57.03428	3.6
57.07058	2.7
65.03928	1.7
67.05499	55.2
68.53484	1.7
69.03423	11.3
69.07063	29.9
69.68473	7.8
69.68877	2.4
71.04966	2.2
73.19686	1.4
79.05484	45.8
81.03408	5.0
81.07044	43.0
83.04966	5.3
83.08606	12.5
85.06538	2.4
91.05470	31.6
91.06030	2.1
93.07033	43.4
94.24236	1.5
95.04966	13.9
95.08593	26.8
97.02890	9.8
97.06527	3.4
97.10158	9.9
98.21407	2.8
105.07016	19.6
106.05935	1.6
107.04919	7.3
107.08579	22.8
109.06512	7.8
109.10136	11.5
111.00169	1.3
111.08089	2.9
117.06989	11.0
119.08566	19.7
121.06516	2.2
121.10140	13.6
123.08040	4.7
123.11736	1.8
125.09603	6.9
129.06976	4.9
131.08540	11.6
133.06442	1.9
133.10112	10.1
135.08057	3.8
135.11696	8.5
137.09589	3.0
141.07059	1.6
143.08565	3.0
145.10109	11.2
147.08054	5.7
147.11629	7.2
149.09596	2.8
149.13249	5.0
157.10133	5.1
157.43083	1.5
159.11740	6.8
161.09631	1.9
161.13252	2.4
163.11136	3.1
165.09148	3.0
169.10165	1.8
171.11723	3.8
173.13297	3.3
177.12730	2.4
181.10078	2.1
183.11612	1.8
185.13242	3.5
189.11279	4.0
195.11671	1.6
195.13664	2.0
201.16321	1.5
210.40857	1.3
223.13289	18.6
223.15288	1.5
227.12735	2.5
241.19496	1.7
243.21007	1.7
245.18951	2.8
249.14784	1.3
261.22153	3.9
263.20062	1.7
273.18484	14.3
291.19504	100.0
292.20010	3.4
323.44849	1.3
335.25781	2.1
347.22256	3.5
444.35608	1.7
607.43378	4.9
625.44543	76.9
626.45190	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.6
55.01870	29.2
55.05516	28.2
55.42793	3.5
57.03420	12.5
57.07057	5.7
63.28955	3.1
65.03931	4.3
67.05499	64.7
69.07067	65.8
70.01770	3.7
71.04974	4.6
71.76189	4.6
72.33325	4.0
79.05488	48.9
80.73042	3.1
81.03416	6.8
81.06587	6.6
81.07046	60.4
83.04961	6.6
83.08597	11.5
86.14996	3.8
91.05476	63.2
93.07029	48.2
95.01318	3.6
95.04927	12.4
95.08603	36.3
97.06525	45.0
97.10151	7.3
103.05499	4.0
105.06344	3.8
105.07027	60.8
107.04945	12.1
107.08580	29.8
109.06553	8.7
109.10149	22.7
113.05956	4.2
117.07001	25.4
119.05029	4.1
119.08574	38.3
121.06493	5.2
121.10132	21.7
123.08014	4.7
123.11663	6.1
125.09634	5.1
128.06201	7.4
129.06978	17.2
131.08582	45.2
133.10121	29.9
135.07988	5.0
135.11671	15.6
143.08521	29.2
144.09380	3.7
145.10138	31.3
147.08011	5.2
147.11664	30.9
149.09589	10.1
149.13284	7.7
155.08533	8.6
157.10182	20.5
159.08028	4.4
159.11688	30.3
161.09621	8.5
161.13272	13.7
163.11159	7.3
167.08542	7.3
169.10135	20.1
171.11652	25.8
173.13240	15.0
175.14798	7.5
179.14276	8.5
181.10112	5.1
183.11693	16.0
185.13243	12.9
187.14833	9.0
188.94659	3.7
193.12190	3.9
195.11697	11.5
197.13171	12.1
199.14799	8.8
209.13226	6.2
211.14803	5.5
215.17947	4.5
223.14796	4.6
225.16362	7.3
229.19473	7.3
237.16269	6.4
239.18066	4.2
241.19531	16.5
257.18970	11.1
259.20428	18.1
273.18457	12.4
275.20001	41.1
290.87424	3.6
315.23080	4.9
333.24237	16.3
335.25769	5.2
349.23730	31.3
435.32404	12.1
437.34100	19.5
486.60614	3.6
495.34763	4.9
501.35666	7.5
509.36249	5.6
511.37839	13.8
513.35419	5.0
515.38458	7.8
527.37061	9.8
529.38641	7.6
533.39349	10.6
551.40906	7.5
555.36896	5.4
607.43628	53.7
608.43860	4.5
625.28473	7.1
625.44647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
53.07642	2.1
55.01863	12.5
55.05501	35.0
57.03431	10.1
57.07055	4.5
59.05000	2.5
65.03934	3.4
67.05492	67.5
69.03432	2.9
69.07058	30.3
70.45057	7.6
71.04981	6.6
71.08610	2.1
79.05478	49.8
79.05917	3.0
81.03416	5.6
81.07044	65.5
83.04965	6.1
83.08605	18.3
83.71000	2.0
85.06546	4.0
91.05458	46.4
93.07027	48.8
95.04941	10.6
95.08585	43.6
97.06512	12.7
97.10152	13.3
98.21351	2.1
99.08124	3.0
105.07017	44.3
106.90333	1.9
107.04964	5.5
107.08574	38.6
107.73024	1.8
109.06529	8.2
109.10130	25.0
111.08071	5.3
112.34689	2.0
115.05431	3.8
117.07000	26.1
119.08569	38.0
121.06506	3.9
121.10126	22.8
123.08073	5.1
123.11703	9.9
125.09627	9.6
128.06207	6.3
129.06972	19.5
130.07730	1.8
131.08546	32.7
133.10095	28.2
134.10506	2.1
135.08069	5.6
135.11658	13.9
137.09590	3.0
141.06938	10.3
142.07788	5.5
143.08542	26.0
144.09334	2.4
145.10103	30.2
147.08009	5.3
147.11684	17.8
149.09616	8.1
149.13257	5.3
153.07043	2.2
154.07755	2.5
155.08516	14.2
156.09354	4.3
157.10117	22.0
159.07994	3.0
159.11659	18.2
161.09625	4.5
161.13278	8.0
163.11224	7.3
163.14795	2.3
167.08530	4.7
168.09274	3.1
169.10088	20.7
171.11641	21.0
173.09613	2.5
173.11790	3.5
173.13190	14.0
175.11119	3.0
175.14828	4.0
179.08588	3.4
181.10106	10.6
182.10944	3.2
183.11636	19.3
185.13240	15.9
187.11243	2.6
187.14810	6.4
189.11197	3.4
193.10190	3.2
195.11563	9.3
197.13249	14.6
199.11282	2.3
199.14780	11.7
201.16336	4.2
207.11722	5.1
208.12358	2.3
209.13203	9.6
211.14830	8.2
213.16464	6.8
215.14301	4.1
221.13298	4.2
223.14903	6.2
225.16399	6.1
227.12628	3.9
227.17970	4.5
235.14760	3.2
237.16333	4.3
239.17979	6.2
241.19565	5.8
243.15945	5.3
251.17995	5.0
253.19450	3.5
257.19012	3.7
259.20511	8.8
263.17889	2.6
267.21246	3.0
273.18582	7.8
275.20093	11.9
289.87173	2.2
291.19647	2.8
309.22266	2.2
313.21631	2.4
329.24756	2.5
333.24255	6.4
335.25885	2.8
339.23230	2.3
349.23917	5.9
365.28375	7.6
381.31516	2.6
383.29636	3.8
421.31305	4.2
439.32272	4.2
453.34134	2.0
495.34241	2.7
497.37970	2.8
501.35458	2.0
513.35767	15.5
515.38824	8.1
527.37372	6.8
533.40009	8.4
551.40668	6.9
553.39899	2.8
555.37561	2.5
565.24536	2.4
593.23810	2.1
607.43542	46.6
625.26672	6.6
625.44562	100.0
626.45428	4.1
636.85889	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.9
53.03937	5.3
54.18299	1.8
55.01864	40.9
55.05502	30.8
57.03426	12.6
57.07065	7.2
61.01641	1.8
65.03947	4.5
67.05497	74.1
69.03425	4.2
69.07059	86.3
69.86416	12.1
71.04991	5.4
71.08619	2.2
77.03908	1.8
77.32570	1.9
79.05482	59.0
81.03409	7.4
81.07047	89.4
83.04972	13.0
83.08598	15.1
85.06540	6.7
91.05469	73.8
91.06034	3.8
91.63931	1.7
93.07030	60.8
95.01318	4.5
95.04963	16.2
95.08591	56.6
97.06524	47.7
97.10171	8.2
98.21442	2.2
99.08083	3.4
105.07021	75.0
107.04941	15.9
107.08582	41.9
109.06512	10.6
109.10145	24.0
111.08078	3.9
115.05419	4.1
117.07004	32.4
117.63491	1.6
119.08566	56.2
121.06511	4.9
121.10123	24.5
123.08056	5.3
123.11702	5.3
125.09632	6.0
128.06235	7.5
129.06990	22.6
130.07793	2.6
131.08549	48.5
132.09290	1.9
133.06464	3.3
133.10115	43.9
135.08029	5.5
135.11678	19.4
137.09601	3.4
137.13231	1.7
139.11203	2.7
141.06929	9.3
142.07806	5.7
143.08540	34.7
144.09332	2.5
145.06491	4.9
145.10104	46.2
147.08055	5.9
147.11658	32.1
149.09599	13.2
149.13214	10.8
151.11186	3.3
153.07071	2.2
154.07784	2.1
155.08524	21.0
156.09348	3.4
157.10103	31.2
158.95491	2.0
159.08073	3.5
159.11678	35.9
159.12929	2.7
161.09621	5.7
161.13226	20.6
163.11194	7.2
165.06995	3.3
167.08574	8.0
168.09384	2.4
169.10114	26.5
171.08084	2.4
171.10219	4.4
171.11623	27.5
173.09698	3.4
173.13235	21.7
175.11183	4.1
175.14777	10.7
177.12747	4.8
179.08620	2.6
179.14337	6.8
181.10052	12.7
182.10924	2.8
183.11656	17.5
185.09570	4.1
185.13272	18.3
187.11212	3.6
187.14786	8.8
189.12721	3.6
193.10191	3.9
195.11705	16.0
195.13454	3.1
197.13268	17.8
199.11273	2.8
199.14806	11.6
201.12827	4.1
201.16402	4.0
205.10150	2.2
207.11729	5.0
209.13271	9.8
211.14822	10.7
213.12790	2.9
213.14653	2.1
213.16354	9.4
221.13303	4.8
223.14821	7.8
225.16394	4.5
227.17972	3.9
235.14832	4.5
237.16393	6.6
239.17986	5.3
241.15881	2.6
241.19485	16.7
243.21025	1.9
245.18839	2.3
247.20555	2.3
249.16415	3.2
254.90051	2.4
255.17397	2.2
257.18954	8.7
259.20557	25.1
265.19528	3.6
273.18604	8.6
275.20020	40.0
277.21594	3.0
279.15958	3.2
279.21283	2.1
289.21722	2.3
291.19565	4.6
293.21136	5.3
311.23752	2.2
313.21802	2.4
315.23218	5.1
323.23669	2.5
325.25226	3.4
331.23056	2.6
333.24246	17.2
339.23050	3.2
341.25150	3.3
347.22400	3.7
349.23630	26.9
417.31320	2.7
419.33102	3.4
421.31204	5.0
435.32733	6.5
437.34207	19.0
453.33640	4.7
478.20374	2.3
479.20761	2.3
493.36899	3.6
501.35544	3.8
505.40680	2.3
509.36169	2.6
511.37994	13.2
513.35846	9.8
515.39044	9.1
527.37311	8.9
529.38947	7.6
533.39996	12.4
551.40839	8.7
555.36804	5.1
556.37921	4.4
565.25067	3.9
589.42401	3.0
597.44928	3.5
607.43481	61.9
625.27789	16.2
625.44556	100.0
626.27356	2.1
626.44885	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.4
55.01855	9.9
55.05506	23.7
57.03408	17.6
57.33112	4.3
67.05492	68.0
69.03424	23.7
69.07045	16.0
71.04974	9.2
71.74802	6.1
79.05068	6.2
79.05480	60.4
81.03410	100.0
81.07047	52.8
83.04977	25.6
83.08597	7.1
85.02885	15.8
91.05476	84.4
93.07033	57.6
95.04948	24.3
95.08605	36.0
97.02870	12.7
97.06519	19.3
97.10136	8.9
99.04394	4.7
105.07030	44.8
107.04944	11.1
107.08569	18.1
109.02821	8.9
109.06499	8.8
109.10125	19.2
111.04415	8.1
117.06988	15.4
119.08568	70.4
121.06493	6.8
121.10114	13.8
123.08035	5.7
125.09603	7.6
127.03885	9.6
128.06149	5.9
129.05461	10.1
129.06969	20.4
131.08539	8.5
133.10098	13.2
135.08002	12.3
137.09593	33.8
143.08557	11.3
145.10141	12.0
147.04437	6.9
147.07988	10.8
147.11722	22.5
149.09531	6.0
153.09103	6.0
161.13239	7.3
163.03850	13.4
163.11183	4.9
165.09103	29.8
171.11650	15.1
173.04466	5.0
173.05893	5.4
183.10172	15.5
183.11731	3.7
187.03925	9.2
189.12730	6.4
193.52805	4.4
199.03755	4.8
207.13782	16.6
237.08942	5.2
239.12718	28.1
257.13821	9.0
281.17468	51.9
287.16260	4.9
293.98547	4.4
401.17804	6.4
428.25214	4.3
433.19495	4.6
445.25800	54.3
463.26636	14.6
607.30951	22.4
625.27087	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
55.05503	0.5
57.03434	1.8
59.36298	0.3
65.03899	0.3
66.90702	0.2
67.05482	0.8
69.03422	0.5
70.06577	0.5
71.01342	0.2
71.04605	0.5
71.04980	9.0
71.48124	0.5
73.02887	0.7
73.12226	0.2
74.50220	0.2
75.04458	0.4
79.05473	0.7
81.03400	1.0
81.07032	0.5
83.04962	0.4
85.02898	9.6
89.07106	0.4
91.05458	0.6
93.07025	0.7
95.04990	0.4
95.08568	0.5
97.02866	0.5
97.06512	0.7
99.04433	0.4
105.07012	0.3
107.08575	0.3
109.02832	0.4
109.10149	0.3
115.03885	0.4
119.08530	0.3
123.08047	0.3
127.03824	0.3
129.05482	1.7
149.02289	0.6
149.05956	0.6
151.03883	1.3
153.01855	0.2
163.03867	0.7
165.01840	0.8
167.03348	1.6
175.03870	0.5
175.07538	0.3
177.01816	0.6
183.02882	0.5
195.02882	2.0
215.06973	0.3
243.06468	0.7
254.05675	0.4
259.06033	0.4
259.09732	0.5
269.08185	0.3
271.06100	1.8
282.05188	3.7
285.07578	0.5
286.04773	0.3
297.07535	3.8
298.04733	2.4
299.05368	1.4
300.06232	4.9
301.06949	1.6
310.04660	4.1
311.05188	0.4
312.06204	1.2
313.07010	13.7
314.04138	0.8
314.07721	5.4
315.08353	0.4
324.06711	0.4
325.07059	5.5
326.04135	0.4
326.07562	0.4
327.04913	1.1
327.08640	1.9
328.05734	16.7
329.06433	4.9
336.06464	0.5
337.07089	0.6
340.05783	0.4
341.06564	1.0
341.10214	0.5
343.08075	100.0
344.08261	2.7
351.08585	1.1
353.06482	2.5
355.07922	1.9
365.06693	0.3
369.05792	0.5
369.09851	0.5
371.07483	0.4
373.09015	0.3
379.07980	1.0
383.07648	1.5
397.08896	0.5
399.06696	1.9
405.13141	0.5
407.07388	1.1
409.09082	0.5
415.10043	0.8
425.08664	5.0
427.10452	0.5
443.09683	21.1
444.10187	0.6
445.11169	0.6
461.10742	8.9
479.11810	14.2
480.12161	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.1
55.01833	1.8
55.05485	0.9
57.03419	2.8
61.02904	1.6
64.17007	0.8
65.03948	0.7
67.05475	2.9
69.03417	7.5
69.07054	1.3
70.06576	1.3
70.99149	0.9
70.99462	1.4
71.04961	2.5
73.02888	1.0
77.08469	0.7
79.05485	1.5
79.73969	0.8
81.03390	5.7
81.07034	3.8
84.08127	0.8
85.02890	11.7
85.06517	0.7
86.09663	1.0
87.04414	1.2
89.75549	0.7
91.05464	1.6
93.07037	2.2
95.04936	1.6
95.08585	2.5
97.02883	5.3
97.06487	2.8
99.04438	1.7
105.07031	1.9
107.08546	2.1
109.02863	2.5
109.10122	4.0
119.08545	1.2
121.10127	1.6
123.00837	1.1
123.11649	1.4
125.02332	1.7
127.03880	4.7
129.06969	0.7
135.11659	1.0
137.02328	6.7
137.05916	1.5
137.09599	3.5
141.01794	1.0
141.52347	0.7
142.67183	0.7
145.04932	1.3
147.04367	1.0
147.11659	1.1
149.05963	1.6
151.03874	4.4
161.02255	0.8
161.05916	1.1
163.03865	2.0
165.01796	7.8
165.09108	2.1
167.03468	1.1
175.07442	0.9
179.03319	2.0
183.02872	5.6
214.56517	0.8
243.03413	0.8
258.05206	1.1
261.04144	1.1
266.05878	1.1
268.07169	1.3
270.05203	3.0
271.05991	1.1
282.05142	3.5
284.06729	2.8
286.04553	4.8
287.05240	0.9
294.05234	2.7
296.06760	5.5
297.07483	1.6
298.04681	20.9
298.08051	1.2
299.05331	1.4
300.06207	2.6
301.07007	13.1
305.24710	1.4
309.07535	3.0
310.04602	5.0
310.08313	2.9
311.05655	1.4
311.09064	7.9
312.06174	9.5
313.06998	100.0
314.07660	8.5
320.06705	2.1
322.04721	4.9
323.05328	2.8
324.06241	8.9
325.06970	15.7
325.10745	1.2
326.04163	1.5
326.07730	1.6
327.04861	1.7
327.08557	14.4
328.05756	6.9
328.09216	1.1
329.06549	2.0
337.07001	17.8
338.04016	3.2
338.07782	9.4
339.04858	2.3
339.08578	21.5
341.06461	8.2
341.10278	2.3
342.07181	2.9
343.08075	35.1
343.12259	1.7
344.08557	1.9
348.06201	1.4
353.06366	9.3
353.10159	18.4
354.10760	1.0
355.08017	4.0
363.08612	5.7
365.06439	4.4
365.10400	1.2
366.07486	3.7
367.08072	12.1
371.07501	1.2
376.05573	1.1
381.09607	21.6
381.14185	1.3
383.07489	8.0
391.08078	4.5
394.06778	6.0
395.07486	3.0
399.10693	4.1
409.09106	68.7
410.09378	2.4
427.10175	90.0
428.10553	3.2
433.12903	1.0
443.10312	0.9
445.11221	71.6
446.11365	1.8
463.12042	6.1
475.12473	1.6
557.12860	2.7
607.16626	1.0
625.29822	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1754
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
52.49188	0.3
55.01857	0.3
55.05487	0.3
57.03433	2.1
59.43831	0.3
61.02925	2.2
69.03397	0.6
69.69048	2.3
71.04987	12.8
73.02895	0.8
73.87920	0.3
75.04474	0.9
80.39185	0.3
81.03423	0.4
83.04971	0.8
85.02897	15.5
87.04469	0.3
91.03970	1.4
92.02581	0.7
93.03410	0.7
97.02871	1.3
97.06505	0.3
98.21425	0.4
111.04403	0.4
121.02854	0.9
129.05475	3.8
139.03859	0.8
145.04956	0.5
147.06465	1.0
151.03923	0.8
153.01820	6.0
165.01816	0.4
169.69930	0.3
200.04648	0.4
201.05406	0.4
211.52962	0.3
217.04982	0.6
218.05775	0.4
228.04184	1.5
229.04947	3.0
245.04358	0.9
246.05243	1.4
257.04486	2.3
261.07828	0.3
273.03839	1.7
274.04681	4.3
284.03137	0.6
285.03937	3.9
302.04187	11.9
313.07022	1.1
317.06528	100.0
318.06860	2.6
329.06516	0.4
359.07532	0.4
383.07571	0.4
409.09103	0.8
427.10120	0.8
479.11667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1756
Annotation	Isoscoparin 4'-O-glucoside
Peak:m/z	Relative Intensity
57.03418	2.7
59.85065	0.6
61.02907	2.4
67.05505	1.0
69.03406	4.6
70.06576	2.5
70.33868	2.9
71.04977	0.9
73.02895	1.4
81.03392	3.0
85.02897	13.3
86.09695	1.9
91.03942	1.1
91.05489	1.5
97.02865	5.0
109.02854	2.8
127.03905	1.8
145.04904	1.3
147.04311	1.0
149.05901	1.3
151.03905	5.4
162.04117	0.8
163.03899	1.3
165.01781	4.4
167.03397	2.5
175.03903	2.2
177.01898	0.7
177.05460	0.9
180.37625	0.7
183.02841	3.3
193.04984	1.1
195.02917	2.3
207.02948	0.8
229.05058	1.2
233.04501	0.9
243.06561	0.9
259.09558	1.0
268.07190	1.2
270.05240	1.2
271.05936	2.3
282.05212	5.6
286.04730	2.0
295.06171	0.9
296.06702	7.6
297.07541	4.7
298.04718	13.1
299.05566	1.3
300.06238	6.5
301.07022	7.2
301.16431	0.9
308.06696	0.9
310.04636	5.6
310.08380	2.8
311.05734	1.2
311.09137	3.6
312.06082	1.7
313.07031	83.2
314.07718	6.4
320.06653	0.8
322.04498	1.0
324.06326	10.5
325.07056	9.8
326.07809	1.0
327.08582	3.2
328.02029	1.4
328.05756	19.5
328.09653	1.2
329.06146	1.2
335.09207	1.1
336.06213	2.5
337.06927	4.5
338.07822	5.8
339.04965	1.5
339.08575	18.1
343.08084	100.0
344.08142	1.5
348.06189	2.7
351.08560	2.7
352.05655	1.5
353.06396	0.6
353.10181	12.8
355.08020	4.5
363.08539	2.7
364.05710	2.0
365.06332	1.4
366.07269	1.5
367.08084	44.6
368.08575	1.3
376.05594	2.0
379.08066	10.2
381.09564	3.7
391.08051	6.2
394.06726	1.4
397.09137	28.5
398.09933	1.0
409.09155	21.1
421.08865	1.4
427.10214	24.7
439.10382	0.8
445.11234	32.9
446.11493	1.1
451.10120	1.3
457.11102	1.4
463.12320	27.7
469.11008	4.9
487.12491	2.3
505.13049	1.3
553.13165	1.4
571.14209	2.6
589.15308	2.6
607.16083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
57.03418	2.1
57.93217	0.6
58.43762	0.6
61.02926	3.5
67.05479	1.3
69.03428	3.6
69.70792	4.7
70.06582	1.1
71.04966	0.7
73.02895	1.3
79.05473	1.4
81.03399	2.4
81.07010	1.2
83.04967	0.9
85.02894	7.8
91.03915	2.1
91.05480	0.9
93.07005	1.3
95.04927	1.1
97.02874	4.7
97.06516	1.0
97.69634	0.6
99.04399	1.1
107.04942	1.1
107.08569	0.8
109.02858	2.4
109.06473	0.7
119.08565	0.7
121.02852	1.0
121.10114	1.4
123.04404	0.7
125.02361	0.7
127.03940	2.7
135.11667	1.1
141.01775	0.8
145.04938	1.3
145.06551	0.6
145.10104	0.7
149.02333	0.9
149.05981	2.1
151.03891	4.6
163.03906	0.7
163.11119	1.3
165.01808	7.2
167.03374	2.4
173.09624	1.3
175.03902	1.7
181.12138	0.7
183.02849	4.5
191.03314	0.9
191.10655	1.2
195.02904	1.8
205.04906	0.8
209.11734	1.7
227.12790	1.7
229.05101	0.9
233.04446	0.8
243.03020	0.7
243.06276	0.7
258.05142	0.9
259.09512	0.6
261.03998	1.1
265.14316	1.8
268.07184	1.1
270.05130	1.6
271.05911	2.1
282.05209	4.1
283.15454	2.0
286.04636	4.8
287.05435	6.9
296.06787	7.6
297.07559	3.8
298.04669	15.7
299.05453	1.4
300.06226	5.5
301.07037	11.5
301.16269	3.2
308.06772	0.7
309.07397	1.3
310.04654	3.0
310.08304	3.5
311.09058	4.6
312.06400	0.9
313.07019	100.0
314.07660	6.6
317.06729	0.9
320.06793	1.8
324.06259	12.5
325.06989	6.7
325.10577	1.4
327.08578	2.4
328.05713	15.2
328.09540	0.9
335.09174	1.4
336.06232	2.4
337.06979	2.4
338.04077	0.9
338.07770	7.0
339.04932	1.6
339.08591	16.3
341.06335	1.1
343.08078	73.5
344.08466	1.8
348.06204	2.3
351.08374	1.3
352.05524	1.0
353.10172	15.7
363.08582	2.7
364.05627	2.3
366.07242	1.4
367.08087	44.3
368.08463	1.3
376.05627	1.6
379.08066	11.8
381.09644	2.4
391.08051	10.4
394.06671	2.3
397.09140	32.3
398.09839	1.0
409.03580	1.1
409.09103	22.4
409.17825	1.0
427.10214	29.1
428.10587	0.7
445.11249	38.8
446.11658	1.0
449.05164	0.7
449.10776	2.8
463.12399	7.8
505.13223	1.3
529.13391	0.8
559.14307	0.8
571.14008	0.7
607.16077	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1755
Annotation	Isorhamnetin-3-Glucoside-4'-Glucoside
Peak:m/z	Relative Intensity
55.01857	1.2
57.03431	1.7
61.02914	0.7
69.03417	1.5
69.60106	6.3
70.06580	1.8
71.04963	2.0
79.05472	0.8
81.03402	2.1
84.08128	0.8
85.02892	5.8
86.09692	1.5
93.07039	0.8
95.04923	0.9
97.02918	1.0
97.06513	2.0
107.04855	0.7
127.03876	1.9
141.01814	1.0
149.05949	2.2
151.03893	3.4
163.03891	1.8
165.01791	6.8
179.03439	0.7
183.02859	4.5
186.30743	0.7
195.02806	0.9
220.83987	0.7
239.25670	0.7
258.05151	1.1
259.09537	0.9
270.05197	2.6
282.05383	2.3
284.06665	1.7
286.04803	3.7
294.05139	1.8
296.06827	5.1
297.07617	2.1
298.04684	16.5
298.08035	1.0
299.05368	1.3
300.06271	2.1
301.07022	12.6
302.04181	0.8
309.07474	2.1
310.04678	5.0
310.08395	3.0
311.05975	1.0
311.09113	6.0
312.06302	5.2
313.07037	79.4
314.07672	7.7
317.06482	6.2
320.07108	1.0
322.04712	2.9
324.06296	5.8
325.07053	12.2
325.10730	1.1
326.07797	0.9
327.08572	9.9
328.05695	5.6
329.06427	1.4
335.09195	1.1
337.07004	11.7
338.04181	2.5
338.07831	9.2
339.05103	1.0
339.08627	17.2
340.05618	1.0
341.06519	6.2
341.10355	1.7
343.08087	24.4
348.06253	2.2
352.05579	0.8
353.06436	6.8
353.10214	14.8
355.07959	4.0
363.08508	4.7
365.06549	3.7
365.10602	0.9
366.07367	2.9
367.08072	8.6
376.05685	0.8
381.09668	19.4
383.07599	7.1
391.07971	3.8
394.06708	2.9
399.10834	4.9
405.13055	0.9
409.09171	39.2
410.09549	1.2
427.10220	100.0
428.10559	2.9
437.78830	1.0
445.11273	35.9
463.12354	1.2
571.14575	1.0
589.15015	1.5
607.16095	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.8
55.01852	7.5
55.05503	32.2
57.03419	11.7
57.07073	8.8
65.03925	9.1
67.05495	100.0
69.03403	20.0
69.07046	23.3
69.60255	4.6
71.04976	9.4
71.75693	7.2
72.11937	4.7
77.50739	4.3
79.05482	51.0
81.03409	62.5
81.07050	72.0
83.04966	35.1
83.08602	18.3
85.02892	5.3
85.06536	8.0
90.69490	4.5
91.05464	37.6
93.07032	47.8
95.04949	13.7
95.08590	42.3
97.02880	20.4
97.10153	16.0
105.07030	23.9
107.04955	7.9
107.08599	30.0
109.02866	10.1
109.06504	9.5
109.10148	43.1
111.04408	9.2
117.06976	16.0
119.08588	29.3
121.10094	21.2
123.08054	7.7
123.11661	9.2
123.86856	5.0
125.09596	17.1
127.03902	11.6
129.05464	11.4
129.07011	10.2
131.08534	28.0
133.10097	16.4
135.08006	7.5
135.11652	20.5
137.09566	9.0
143.08504	9.0
145.10074	11.5
147.11705	12.1
149.09637	8.0
155.08562	4.6
157.10118	7.5
159.07959	6.0
159.11662	14.4
173.11742	14.4
173.13170	8.3
175.11215	5.1
184.86687	4.9
189.11205	13.3
215.17928	6.9
217.19402	5.9
227.12810	15.1
229.14293	14.6
275.19958	6.6
289.17865	7.2
299.14456	6.1
307.22592	7.8
309.24274	11.9
341.21118	7.1
371.16995	6.5
373.18472	6.8
461.07947	4.6
461.14569	4.9
571.74091	5.5
597.53467	5.4
605.36365	13.9
623.27167	10.2
623.36011	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03605	0.5
64.90299	0.4
67.05508	0.7
69.48167	2.6
69.48589	1.6
72.64898	0.5
81.07041	0.6
86.11552	0.5
93.07049	0.7
107.14574	0.5
119.08598	0.7
146.65277	0.5
190.93878	0.5
196.82660	0.6
234.26279	0.5
387.16370	0.6
389.17673	1.1
391.19232	1.2
402.18381	1.3
403.19437	2.1
404.19766	1.2
405.20804	2.1
407.22665	0.8
415.19305	1.4
417.16299	0.9
417.20853	2.2
418.17441	0.7
419.23007	3.1
420.23230	1.4
428.15848	0.7
429.21051	0.9
430.17981	1.5
431.17783	2.9
431.23550	0.8
432.19312	1.5
433.20142	5.3
434.20566	1.1
443.18710	1.8
444.19507	2.2
445.19962	3.8
446.21130	3.2
447.21774	4.4
448.22476	2.3
457.20190	1.1
458.21057	6.7
459.21774	5.4
460.22726	4.2
463.21353	1.9
473.23618	0.9
475.21277	1.9
476.21686	3.1
477.22617	2.5
503.21463	0.5
505.22751	0.8
517.22772	0.7
518.23077	4.8
519.24133	0.7
521.21735	1.2
533.25598	7.1
535.27429	1.5
536.23889	1.8
536.87262	0.6
545.25964	2.4
546.26331	0.6
547.23608	0.5
563.26221	4.4
564.26855	0.6
573.25470	1.1
577.28632	0.6
591.26086	1.6
605.27533	9.5
606.28870	0.6
623.28577	100.0
624.29163	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42590	6.7
85.64265	0.6
107.02856	0.7
112.43143	0.6
194.32111	0.7
225.13837	0.8
237.13962	0.8
268.61987	0.8
377.47815	0.8
387.16754	0.8
389.18558	1.2
390.17920	0.9
391.19315	1.9
400.17117	1.5
404.20493	1.4
405.20938	4.1
406.21643	1.1
413.17578	1.1
415.19528	2.6
416.19971	0.9
418.17493	1.4
419.18347	1.5
419.23227	1.1
420.23093	1.7
421.24072	2.0
427.19476	1.6
428.19931	1.4
429.21033	3.0
430.22162	2.0
431.22876	1.3
433.19653	3.8
443.22552	2.1
444.23157	1.3
445.20474	2.4
446.21185	1.1
447.18466	3.3
448.22705	3.3
457.24258	3.9
459.21927	3.9
460.22546	2.8
461.19623	14.0
470.21045	1.4
471.17764	1.1
472.23041	1.4
473.19336	0.9
475.20883	4.0
476.22064	14.7
477.22531	1.8
485.23495	12.0
486.19867	3.6
487.21616	1.2
488.22473	3.0
489.23517	3.3
490.19406	0.9
491.20602	11.4
493.22345	1.0
500.22375	2.5
501.23477	1.2
503.24570	11.3
504.20987	3.4
505.22250	1.1
513.22998	1.4
515.24426	9.0
516.24078	0.7
518.23199	1.9
519.23761	0.9
521.25488	9.7
531.23926	19.9
535.23517	1.1
536.23773	4.2
541.22211	0.9
545.25330	0.8
549.24939	14.6
559.23572	5.7
563.25977	4.9
564.23346	5.3
591.25995	46.8
592.26782	1.1
623.28583	100.0
624.28796	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63091	0.4
71.00533	0.8
71.00893	1.2
99.83873	0.4
111.74763	0.4
126.16441	0.5
199.08517	0.4
224.13010	0.5
237.13850	0.7
249.13792	0.5
251.15480	0.5
338.16666	0.6
360.14737	0.6
363.16293	0.5
375.16577	1.0
376.16763	1.4
377.17465	2.5
378.18323	1.5
387.16058	0.7
388.17886	1.2
389.18015	1.6
390.18405	2.3
391.19095	5.6
392.19992	4.0
393.20676	2.3
396.14935	0.5
398.78009	0.5
399.16217	1.9
400.17032	2.0
401.17749	2.0
402.18924	1.5
403.19208	1.5
404.20767	2.1
405.17062	0.7
405.20969	5.4
406.21454	5.9
407.22253	16.7
408.23019	0.6
410.16690	0.6
412.17374	1.4
413.17587	3.6
414.18546	4.1
415.19153	7.1
416.19846	1.6
417.20880	1.7
418.22046	0.8
419.17514	0.8
419.23029	2.2
420.23260	2.2
421.23846	13.9
422.24542	3.7
427.19226	3.2
428.20126	4.5
429.20779	16.5
430.21918	3.7
431.18170	1.5
431.22418	1.7
432.19022	0.8
433.24884	3.2
434.24606	1.4
441.16254	0.9
441.21448	1.0
442.22125	2.5
443.22531	10.1
444.23502	6.0
445.20175	3.9
446.21057	0.7
447.18060	2.2
448.18317	0.9
452.22064	0.8
455.18628	1.3
456.19437	1.7
457.24884	5.5
458.24988	9.0
459.21677	11.1
460.22876	3.4
461.18893	6.0
462.20181	2.7
463.21368	1.6
470.21393	2.6
471.22556	2.1
472.22568	11.6
473.24301	3.2
474.19769	1.0
475.20972	7.9
476.21671	7.1
477.22360	4.2
478.23627	1.0
484.18881	1.5
485.23453	21.1
486.20059	3.0
486.24130	3.9
487.21127	1.9
488.21951	2.7
489.22922	4.3
490.23431	0.7
493.26126	1.0
497.23410	0.7
498.20328	1.0
499.21149	5.1
500.22028	4.4
501.22794	0.8
502.23947	1.7
503.24612	11.0
504.25558	2.9
507.24371	1.5
508.28030	1.1
513.22778	6.1
514.23584	2.4
515.24164	2.0
517.26135	11.0
518.23016	0.9
521.25043	1.7
529.25946	2.4
530.23279	1.5
531.23877	1.7
535.27051	7.0
536.27612	0.7
545.25427	100.0
546.25854	2.3
562.25256	0.7
563.26263	1.4
564.26672	2.1
573.24884	22.0
577.28058	0.9
591.25995	1.2
605.27527	86.6
606.28375	3.2
623.28552	79.5
624.28796	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72738	0.7
55.01878	1.2
55.05492	3.0
57.03435	1.4
59.90771	0.9
67.05503	9.6
69.03422	0.9
69.07056	3.6
71.04998	0.8
79.05490	5.6
81.03378	1.9
81.07050	9.2
82.11195	0.8
83.04957	2.0
83.08604	1.7
91.05463	7.4
93.07047	5.8
95.04951	1.9
95.08613	5.6
97.10124	1.0
105.07001	5.1
105.40900	0.8
107.04895	1.0
107.08569	4.1
109.06501	1.6
109.10149	2.7
114.47430	0.9
117.06999	2.4
119.08572	4.1
121.06508	1.0
121.10141	2.7
123.08023	1.3
129.06985	2.0
131.08522	4.2
133.10110	2.8
135.11694	1.1
143.08517	1.9
145.10100	3.3
147.11674	2.1
151.11200	1.2
155.08572	1.2
157.10074	2.2
159.08037	0.9
159.11678	1.8
169.10147	1.4
171.11606	2.1
173.13159	1.3
183.11684	1.8
185.13205	1.3
190.77382	1.0
195.11707	1.3
223.15018	0.9
237.10336	0.9
241.19489	0.8
374.16440	1.3
376.17184	1.2
377.17633	1.7
380.14233	1.0
387.82758	0.8
389.17932	1.0
391.19437	2.0
392.19894	1.8
399.16119	1.3
401.17810	1.8
405.16458	1.3
405.21283	1.5
407.22208	3.2
414.18320	1.9
415.19449	2.5
416.20422	1.1
417.16718	1.3
419.18533	1.9
421.20132	1.7
428.20340	1.3
429.20984	1.8
430.21948	1.5
431.18103	1.1
433.16437	1.3
435.21912	1.9
440.20380	0.9
443.23026	1.2
444.19312	1.4
445.20151	2.6
447.18069	2.9
447.22958	1.1
458.21002	2.3
461.19699	3.7
462.20651	2.7
463.20901	2.0
471.22241	5.2
473.19028	1.1
474.20572	2.9
475.17087	0.8
475.21094	2.7
485.19574	2.6
486.20151	2.6
489.18195	1.7
489.22922	3.9
490.19217	5.0
491.20532	4.0
499.21503	8.1
501.23431	4.1
503.20630	3.9
507.23666	1.3
511.21054	1.0
513.19220	3.8
514.20044	1.8
516.21936	1.2
517.22394	16.2
518.21533	0.9
527.20819	2.9
529.22333	7.1
531.20294	2.5
531.38354	1.6
535.22778	2.6
536.23615	1.0
545.21826	25.8
546.22711	1.2
547.23163	1.6
563.23163	2.6
564.23712	1.4
573.21375	10.2
577.24335	3.8
591.22058	5.7
595.24713	1.3
605.23846	46.6
605.40594	1.7
606.24561	1.0
623.24921	100.0
623.41504	13.3
624.25269	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05502	3.6
57.03424	1.1
60.76993	0.5
67.05495	5.6
69.00531	0.5
69.07052	2.0
73.28719	0.5
79.05479	5.3
81.03416	1.8
81.07057	5.9
83.04981	1.3
83.08601	1.4
86.64241	0.5
91.05466	3.6
93.07030	3.6
94.26508	0.6
94.54823	0.5
95.04969	1.3
95.08587	2.3
97.06532	0.7
97.10163	1.5
98.20660	1.2
100.79644	0.5
105.07042	3.5
107.04964	0.9
107.08598	2.7
108.08125	0.6
109.06495	0.7
109.10163	1.4
115.05462	0.7
117.07021	2.0
119.08590	2.8
121.10149	0.8
125.09629	1.0
129.06956	1.1
131.08556	1.7
133.10130	1.5
143.08553	1.5
145.06490	1.2
145.10101	1.0
147.11705	1.3
153.06960	0.7
155.08583	1.0
157.10159	1.0
167.08525	0.8
169.10124	1.2
171.11723	1.1
173.05949	0.8
173.13239	0.8
175.11096	0.6
181.10144	0.7
183.11728	1.1
189.11304	0.9
197.13445	0.7
209.10757	1.1
210.11473	0.7
221.13141	0.5
223.12343	0.9
227.12839	0.8
235.12387	0.6
239.18100	0.6
271.16943	2.3
275.20044	1.0
289.17859	1.3
291.19559	0.9
304.17963	0.6
336.15079	1.0
345.20456	0.7
363.16159	1.4
368.81329	0.6
372.14594	0.6
374.16354	1.4
375.16312	1.7
376.17334	1.8
377.17596	3.6
378.18317	1.8
379.19183	0.8
385.23523	0.6
386.15591	1.3
387.16406	1.5
388.17957	0.9
389.17795	1.6
390.18750	1.7
391.19327	5.3
392.20291	2.6
393.20667	3.7
399.16162	1.9
400.16864	2.0
401.17706	5.3
402.18375	1.5
403.19250	2.1
404.15759	0.7
404.20480	1.1
405.16968	2.2
405.21707	2.6
406.17383	0.9
406.21939	1.0
407.22543	3.6
408.23337	0.7
411.16794	0.8
413.17880	2.7
414.18924	2.8
415.19449	6.0
416.19855	2.4
417.21567	2.7
418.17459	1.2
419.18600	3.8
419.23428	0.9
420.19250	1.3
421.19901	3.7
427.19208	2.3
428.20551	3.3
429.16177	1.5
429.21817	3.4
430.21597	2.2
431.18500	1.1
433.16409	1.9
435.22198	3.1
441.16672	0.9
442.17633	1.1
443.17773	1.6
443.22403	3.2
444.18887	4.7
445.19824	2.8
447.17145	5.3
448.18686	3.4
449.19238	3.0
456.19467	1.7
457.20282	1.8
458.21619	2.8
459.17752	1.9
459.22821	0.9
461.19171	4.2
462.20193	2.7
463.21402	2.4
469.16422	1.2
471.22510	7.0
472.18869	1.8
472.23196	1.1
473.18402	3.1
473.24551	1.1
474.20270	2.7
475.16742	1.3
475.21243	3.0
476.17624	2.7
477.17935	1.0
477.23004	2.1
484.18542	1.3
485.19635	3.4
486.20352	4.2
487.20987	1.2
489.23819	7.2
490.18973	5.0
491.20273	4.3
493.22342	0.9
499.21326	16.3
500.18491	1.6
500.22101	1.6
501.23248	5.3
502.20059	1.0
503.20651	7.0
507.24402	3.5
508.24652	0.7
511.21143	1.3
513.19196	2.1
514.19800	1.6
516.21881	1.3
517.22351	12.6
518.22980	1.6
521.21832	0.9
525.35529	1.0
527.20966	2.9
529.22333	10.0
530.22168	1.0
531.20215	0.9
535.23547	6.6
536.23773	1.3
545.21765	49.9
546.22156	2.8
547.26886	2.4
549.24658	2.0
550.25763	3.6
555.20020	2.4
563.22571	8.7
564.23572	1.9
573.21246	17.5
577.24359	0.9
579.29620	1.5
591.25433	2.3
595.25159	1.8
605.23871	91.1
606.24390	5.3
623.24860	100.0
623.42706	5.2
624.25317	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
55.01842	1.1
57.03434	6.2
64.05116	0.9
67.05507	1.5
70.69786	2.3
70.70141	0.8
71.04606	1.7
71.04986	33.8
75.04436	1.1
79.05490	1.5
81.03397	1.8
81.07030	2.2
83.04967	1.9
85.02896	34.3
87.04488	1.3
91.05467	1.1
93.07032	1.1
97.06503	1.4
105.07008	1.5
107.04957	1.0
111.04426	0.9
112.92440	1.0
121.10200	0.8
122.36605	0.8
127.03893	1.6
128.70778	0.8
129.05447	6.2
141.01852	1.2
149.05983	1.9
151.03897	3.1
163.03851	1.7
165.01828	6.6
179.03392	1.3
181.01129	0.8
183.02817	4.3
195.02869	1.3
205.05003	1.0
223.65166	0.9
233.04347	1.0
243.02710	0.8
261.04092	1.0
264.83154	0.8
270.05237	2.2
282.05075	1.9
284.06778	1.6
286.04654	3.6
294.05319	1.5
296.03760	1.0
296.06729	4.8
297.07440	2.2
298.04660	18.9
300.06238	2.9
301.07025	13.7
309.07306	1.6
310.04651	7.3
310.08295	7.8
311.05923	1.1
311.09048	5.9
312.02890	1.8
312.06305	5.4
313.07034	100.0
314.04254	1.5
314.07693	6.4
320.06860	1.9
322.04724	3.4
324.06216	6.2
325.07095	12.3
325.10809	1.5
326.04333	1.1
327.04987	2.3
327.08456	10.8
328.05701	7.2
329.06561	12.0
337.06982	10.4
338.04187	1.9
338.07828	21.5
339.04877	1.8
339.08572	14.6
340.05646	1.3
341.06485	6.9
341.10104	1.6
342.07367	1.0
343.08069	36.8
348.06323	1.7
352.05551	1.4
353.06387	7.1
353.10190	48.8
354.10233	1.3
355.08023	2.7
359.07510	1.6
363.08411	4.0
365.06433	3.2
366.07245	4.5
367.08145	8.2
371.07501	1.9
381.09656	30.7
383.07538	3.8
391.08099	3.3
394.06940	5.4
399.10654	3.1
409.09146	73.1
410.09314	1.9
423.10648	1.8
427.10211	89.9
428.10699	1.2
441.11786	1.5
445.11243	87.2
446.11432	1.9
477.13968	6.5
491.49786	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.9
55.05486	0.9
57.03430	5.7
57.86016	0.7
63.04338	0.6
67.05476	0.7
68.99769	0.9
69.03410	2.4
71.04980	33.9
71.62568	0.9
75.04441	1.9
81.03378	1.1
85.02892	28.9
87.04430	1.0
95.04958	0.8
99.04414	0.8
127.03840	0.9
129.05464	3.8
141.01788	1.0
149.05910	3.4
151.03897	7.3
163.00380	0.8
165.01814	9.2
167.03371	0.8
175.03897	1.9
181.01303	2.6
183.02844	4.4
193.04948	0.8
195.02831	1.4
197.00734	1.1
200.59842	0.6
205.05016	0.8
207.02931	0.7
210.78868	0.6
217.04921	1.7
223.02348	0.8
231.06790	0.9
233.04332	2.5
239.69292	0.8
251.05531	1.8
258.05243	0.9
259.06021	0.9
270.05142	2.9
282.05112	3.3
284.06534	1.6
285.07596	1.1
286.04694	8.5
294.05115	1.4
296.03574	1.3
296.06573	5.4
297.07584	1.8
298.04675	24.1
298.08069	1.3
299.05438	1.1
300.06131	2.6
301.07040	13.0
309.07529	1.3
310.04651	9.1
310.08331	8.0
311.05389	2.6
311.09039	4.9
312.02533	2.7
312.06216	6.4
313.07013	100.0
314.04138	7.7
314.07614	6.6
320.06711	2.1
322.04507	2.2
324.02667	1.3
324.06213	7.0
325.07059	12.8
325.10629	1.4
326.04214	1.5
326.07736	1.2
327.04886	6.5
327.08588	9.8
328.05685	8.4
329.06509	69.9
330.06976	2.2
335.09045	1.5
337.07013	9.9
338.04095	4.0
338.07782	23.3
339.04785	4.2
339.08603	13.6
340.05649	1.2
341.06482	10.2
341.10101	0.8
342.07208	0.9
343.08078	28.7
343.12256	1.4
344.08444	0.8
348.06265	3.2
351.08832	0.8
352.09540	1.2
353.06369	10.2
353.10156	43.4
354.10599	1.2
355.07941	2.4
359.07520	2.3
363.08591	6.0
365.06512	2.0
366.07275	6.5
367.04169	6.2
367.08310	8.0
371.07352	1.2
376.05637	1.4
380.08902	2.0
381.09625	50.3
382.10049	1.8
383.07388	3.1
385.05432	2.0
391.08081	5.8
394.06723	4.7
395.11163	2.5
399.10562	3.1
407.07657	0.8
408.08594	1.3
409.09122	86.3
410.09479	3.8
423.10617	12.4
424.11053	0.9
427.10184	70.5
428.10501	2.7
441.11755	28.8
442.11978	0.8
445.11255	47.6
446.11295	1.5
459.12756	11.1
477.13907	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2701
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
63.80597	0.2
69.07034	0.2
69.43721	1.7
69.44141	0.8
79.05502	0.4
81.07047	0.3
91.05476	0.3
95.08615	0.2
97.48335	0.2
108.34547	0.3
109.10141	0.3
124.52718	0.2
170.41504	0.3
209.10757	0.5
221.10789	0.4
271.11890	0.3
298.13312	0.4
300.15128	0.3
310.13358	0.3
373.14719	0.6
374.15491	0.4
375.16168	0.9
386.16202	0.4
387.16214	0.6
388.16867	0.9
389.17529	2.7
390.18396	1.2
391.19308	0.7
401.17569	1.1
402.14069	0.3
402.18436	0.9
403.15347	0.7
403.19540	4.1
404.19870	2.1
405.20721	2.6
415.14713	0.4
415.19290	0.7
416.16183	1.0
416.20309	0.7
417.16061	3.4
417.21024	2.3
418.17410	0.5
418.22119	0.6
419.22369	6.5
419.27594	0.5
420.23187	0.6
429.16580	0.4
429.21423	0.3
430.17703	0.9
430.22015	0.7
431.18106	6.4
432.19186	2.4
433.19955	1.9
443.18845	0.4
444.19669	0.3
445.20026	5.5
446.20935	6.2
447.21774	10.3
448.22452	0.5
457.20316	0.5
459.17346	0.9
459.21912	2.2
460.18481	0.9
460.23486	0.6
461.19577	1.2
463.21466	0.4
473.18909	0.7
473.23621	1.4
474.20233	5.8
475.21204	8.0
476.22168	0.4
477.23184	0.4
478.24026	0.3
487.21341	3.6
488.22018	1.0
491.20297	1.7
501.22791	1.7
503.20645	0.4
505.25992	1.4
506.23627	0.4
517.21826	0.3
518.23364	0.5
519.20703	0.9
529.22400	0.7
533.25494	14.1
534.25702	0.8
546.22742	0.5
561.24933	21.3
562.25323	1.1
565.28510	0.3
589.24219	0.8
593.27618	3.8
602.90900	0.3
621.27020	100.0
622.27423	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2696
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.04745	0.5
54.45586	0.4
58.07312	0.4
62.31545	0.4
67.56961	0.5
69.51905	3.8
77.08978	0.4
77.74461	0.4
85.80502	0.4
105.03252	0.4
128.33533	0.4
146.62503	0.5
154.56468	0.4
230.20488	0.4
232.94930	0.4
251.45152	0.5
279.29901	0.5
298.13586	0.4
299.52267	0.5
303.51385	0.5
306.18973	0.5
313.81894	0.5
373.14557	0.6
374.15750	0.7
375.16238	0.7
387.16278	0.6
388.16711	1.8
389.17587	3.2
390.18326	1.1
391.18985	1.3
401.17838	1.2
402.18594	1.9
403.19418	4.6
404.20053	2.7
405.20844	1.8
415.19446	0.9
416.15948	1.2
416.20795	0.6
417.16104	4.5
417.21103	2.1
418.17242	1.1
418.22119	1.0
419.22382	9.8
420.22702	0.7
430.17477	1.1
431.18057	7.7
431.23486	0.9
432.18759	2.6
433.20038	2.7
443.18704	0.9
444.19617	1.2
445.20053	6.5
446.20963	7.9
447.21759	11.1
448.22647	0.6
457.20337	0.6
459.22556	2.6
460.18103	0.9
460.23685	0.7
461.19803	1.2
463.21078	0.7
473.18887	1.2
473.23969	1.3
474.20190	7.5
475.21307	9.0
476.21793	1.2
487.21225	4.0
488.22107	1.3
491.20602	0.8
501.23257	2.1
505.25696	1.6
518.22577	0.6
519.20178	1.1
529.21960	0.6
533.25409	16.6
534.25739	0.9
546.22882	0.7
561.24860	24.1
562.25354	1.5
565.28394	0.5
589.24194	1.0
593.27350	4.3
603.75629	0.5
621.27008	100.0
622.27301	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07021	0.6
60.25529	0.5
69.07035	0.6
69.42274	0.7
69.42681	5.9
90.93365	0.5
100.66282	0.5
102.72789	0.6
110.37180	0.7
187.01799	0.5
195.09047	0.9
197.10646	1.0
209.10782	0.6
211.08698	0.7
221.10527	0.8
225.13747	0.9
226.14445	0.6
237.13609	0.7
249.10152	1.0
275.15497	0.7
375.16229	1.2
387.16058	1.3
388.16806	1.5
389.17731	2.7
390.18118	1.6
401.17535	1.6
402.18347	2.1
403.19333	6.5
404.19812	2.2
405.20563	1.8
415.19571	1.3
416.15817	1.2
416.20511	1.1
417.15945	4.0
417.20877	3.0
418.17099	0.9
418.21902	1.0
419.22446	7.3
429.16846	1.7
430.17728	1.7
431.17984	8.0
431.23361	1.3
432.18933	3.2
433.20157	1.9
443.18997	1.4
444.19604	1.3
445.20074	8.5
446.20703	5.4
447.21729	11.9
459.17032	1.3
459.21823	3.3
460.22842	0.7
461.19897	0.9
473.18872	1.5
473.24130	1.0
474.20319	10.4
475.21252	17.7
476.21759	1.2
477.21964	0.8
487.21326	6.1
488.21906	2.4
491.20874	0.7
501.23041	2.9
502.23923	0.7
505.26193	1.2
517.22070	1.0
519.23596	1.2
529.22205	0.9
531.37280	0.8
533.25525	11.1
535.23346	1.1
546.22736	0.9
561.24908	96.3
562.24957	4.6
589.24622	3.9
593.27576	4.1
621.26990	100.0
622.27478	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2696
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.76996	0.7
70.32156	1.5
70.32516	3.1
71.72528	0.8
98.20975	1.6
200.86827	0.7
215.77820	0.9
293.72906	0.9
375.16202	1.4
389.17609	3.1
390.18756	1.0
402.18616	1.3
403.19418	1.7
404.19962	2.0
415.19321	1.5
417.16788	1.8
418.21579	1.6
419.22269	5.0
431.17877	1.3
431.22998	1.4
432.19339	1.1
445.20514	3.6
446.20877	2.4
447.21906	4.1
459.18112	2.9
461.19568	1.6
473.19318	1.2
474.20239	7.1
475.21332	11.9
487.21002	3.9
488.21948	1.4
501.22638	2.5
505.25696	2.1
533.25543	6.9
539.01306	0.8
546.22003	0.9
561.24908	29.6
562.25696	1.1
589.24609	1.3
621.26996	100.0
622.27295	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39566	0.5
52.04750	0.5
55.01857	1.0
55.05505	0.9
57.03422	2.9
59.04993	0.6
67.05496	1.5
69.03407	0.9
69.07047	0.8
70.06565	1.0
70.92940	1.4
70.93273	1.2
71.04603	0.9
71.04980	14.9
71.54588	0.7
77.06023	1.8
79.05470	1.5
81.03415	3.0
81.03809	0.6
81.07038	1.2
81.53716	0.6
83.08553	0.7
83.80434	0.7
84.08138	0.8
85.02897	16.3
87.04469	1.0
91.05469	2.4
92.52367	0.6
93.07020	1.7
95.04951	1.4
95.08559	1.1
97.02888	0.9
105.05512	1.3
105.06979	0.8
109.02839	0.7
109.10137	1.4
115.03942	0.9
119.08540	1.2
120.07133	0.6
129.05458	2.8
133.02901	0.7
133.10147	0.7
145.06410	0.9
147.11656	0.8
149.02338	1.1
149.06009	1.6
151.03860	2.9
161.70039	0.6
163.03868	1.1
165.01796	2.9
167.03368	2.3
168.83810	0.6
175.03864	1.2
175.11130	0.7
177.01813	1.5
183.02870	2.0
187.03908	0.9
193.12209	0.8
195.02917	2.7
199.03998	0.6
201.05309	0.7
203.03288	0.7
213.05418	0.9
223.02455	0.8
243.06615	0.7
249.03914	0.6
271.05960	1.7
282.05139	6.1
284.06644	1.0
286.04904	1.0
294.05191	1.3
297.07492	4.6
298.04697	8.3
299.05402	1.1
300.06290	7.7
301.07025	1.3
308.06683	0.9
309.07465	1.2
310.04727	10.3
312.02975	0.9
312.06265	5.0
313.07010	40.7
314.04117	2.1
314.07730	7.3
322.04568	1.2
324.06131	0.9
325.03232	1.4
325.07016	20.0
326.04199	1.1
326.07751	2.3
327.05023	1.7
327.08536	10.4
328.05707	22.9
329.06464	10.8
336.06238	2.1
336.47910	0.7
337.06900	4.4
337.14313	2.7
338.04175	2.1
339.04877	2.3
339.08591	0.7
340.05597	1.8
341.06500	7.5
341.10297	2.7
342.07175	1.0
343.08084	100.0
344.08429	2.5
351.08591	4.3
353.06528	14.8
354.07220	0.9
355.08078	7.8
355.15271	1.0
357.09558	6.2
364.05222	0.7
365.06372	1.2
365.95490	0.6
367.08072	1.3
369.05728	1.2
369.09647	2.5
371.07538	1.7
379.07953	4.0
383.07529	5.9
397.09204	4.9
399.07068	11.1
407.07513	2.6
413.08557	2.5
415.04758	0.7
415.10144	14.8
425.08667	16.5
429.19016	1.7
431.09671	0.8
439.10358	2.8
443.09683	62.7
444.09778	1.2
457.11304	9.9
475.12344	29.0
507.12903	1.0
621.31293	0.9
648.18817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88696	3.4
53.03950	7.4
53.80568	3.0
55.01854	13.1
55.05505	22.1
57.03437	16.9
57.07067	2.9
57.62566	3.3
65.03947	5.2
67.05498	50.5
69.03421	74.1
69.07044	14.3
70.49484	7.7
71.04986	8.1
73.02902	9.1
75.03634	3.5
78.18789	3.1
79.05479	45.8
81.03416	29.2
81.07044	56.5
83.04958	9.9
83.08592	9.6
84.04489	3.7
85.02895	100.0
85.06505	4.6
91.05470	40.5
93.07027	46.7
95.04951	13.2
95.08593	41.0
97.02872	26.1
97.06493	5.6
97.10161	4.6
98.20856	4.4
99.04443	16.9
101.02397	4.2
105.07014	32.8
107.08569	31.3
109.02864	10.5
109.06524	7.3
109.10152	23.7
111.04417	7.1
117.06995	18.0
119.08557	31.1
121.06516	3.8
121.10130	26.3
123.08066	4.3
123.11681	9.5
127.03905	63.7
129.07004	9.4
131.08536	26.1
133.06465	4.2
133.10103	19.2
135.08058	4.5
135.11667	14.5
137.09615	3.7
143.08545	12.1
145.04916	24.5
145.10085	20.0
147.11678	12.2
149.02351	19.2
149.09583	4.7
149.13237	6.0
155.08522	5.1
156.11617	3.5
157.10112	6.7
159.08023	5.4
159.11665	18.5
161.09567	4.1
161.13277	7.5
163.05980	4.9
169.10062	8.5
171.11679	9.6
173.13243	13.9
180.08688	8.9
181.10100	4.4
183.11717	4.9
185.13220	4.3
187.11311	4.8
187.14745	6.6
189.12914	3.7
193.05009	5.3
243.21036	3.7
259.20630	9.3
261.22165	10.7
277.21667	4.3
279.23184	4.0
289.21680	5.3
291.23056	6.9
303.23151	13.0
313.21289	3.4
315.22974	5.3
327.22873	3.9
330.84799	3.5
341.24503	8.7
343.65015	3.6
351.23157	11.5
369.24338	26.3
387.25156	36.4
405.26215	33.2
423.27420	7.6
463.02905	3.6
469.54175	3.4
520.02362	3.6
621.15814	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.9
53.03942	9.4
53.56392	0.8
55.01864	18.3
55.04575	0.9
55.05503	10.4
55.72218	0.8
57.03427	5.5
57.07063	1.0
61.02922	1.6
65.03923	2.3
66.00209	0.8
67.05495	49.6
69.03421	38.3
69.07063	9.3
69.55818	2.0
69.56236	6.2
71.01361	1.0
71.04984	12.1
71.08584	0.9
72.58850	0.9
73.02915	9.6
75.15537	0.8
79.05013	1.4
79.05482	33.0
81.03407	43.1
81.07046	54.0
83.04972	3.7
83.08604	5.2
85.02897	20.8
85.06502	1.2
91.05463	18.2
93.07034	39.1
95.04942	4.6
95.08594	43.1
97.02880	39.2
97.06525	2.1
97.10162	2.6
98.21388	1.8
99.04443	65.3
101.02367	4.4
105.04548	0.9
105.07015	14.3
107.08578	23.1
108.68002	0.8
109.02861	40.0
109.06493	2.1
109.10139	24.1
111.04430	11.2
111.08124	1.3
111.11694	1.2
113.16292	0.9
115.03869	0.9
117.06979	8.1
119.08573	12.9
121.10139	18.0
123.08026	1.5
123.11694	12.0
127.03897	100.0
129.05482	2.4
129.06995	1.6
131.04933	1.3
131.08560	10.2
133.10124	9.9
135.08011	1.9
135.11674	14.9
137.09586	1.3
137.13254	5.3
143.08574	1.9
145.04936	18.8
145.06139	1.5
145.06554	1.1
145.10103	7.5
147.11670	7.9
149.13231	8.3
151.11238	1.5
151.14853	1.1
157.10097	1.7
159.11674	7.9
161.13246	4.6
162.07700	0.9
163.11160	1.5
163.14793	3.4
171.11656	2.5
173.13248	5.7
175.14774	2.4
177.12823	1.1
177.16368	1.1
180.08627	1.6
185.09459	1.1
185.13248	2.1
187.14793	3.2
191.14240	1.7
195.11705	1.0
201.16377	1.2
233.22655	1.1
236.68701	1.2
241.19505	2.4
243.21101	6.7
259.20514	7.7
261.22128	23.2
277.21616	9.2
279.23236	4.8
315.23123	2.0
339.22946	1.4
341.24710	2.0
351.23248	1.2
357.24176	2.5
369.24136	5.9
387.25232	3.9
405.26230	9.0
419.98062	0.9
423.27371	35.5
424.27817	1.3
620.41382	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.9
55.01873	6.2
55.05505	23.2
57.03416	4.1
57.07059	15.2
59.04989	5.7
65.03922	7.4
67.05495	38.3
69.03395	20.4
69.07059	23.9
78.22228	4.0
79.05482	46.3
79.64590	4.0
81.03381	8.2
81.07048	68.4
83.04959	27.3
83.08591	13.1
85.02858	5.6
85.06530	10.8
91.05466	63.4
93.06496	6.6
93.07033	81.0
94.07344	3.8
95.04965	38.4
95.08592	43.4
97.06519	22.5
103.05472	5.1
105.07011	78.4
107.04932	7.9
107.08576	68.2
109.06499	31.0
109.10156	36.3
111.08057	3.5
111.11672	4.6
113.09649	4.6
115.05423	4.8
117.07005	26.6
119.08559	87.9
121.06469	12.8
121.09249	5.5
121.10125	100.0
122.10389	4.0
123.08051	29.2
123.11677	9.6
125.05997	25.4
125.09600	14.6
128.06189	12.5
128.68054	3.8
129.07016	21.3
130.07768	5.8
131.08551	53.1
133.06453	8.9
133.10098	50.2
135.08051	22.2
135.11668	17.1
137.09615	9.2
139.11150	7.5
140.48004	3.8
141.06979	11.8
142.07756	24.1
143.08553	48.0
144.09306	10.6
145.10109	54.6
147.08061	15.2
147.11664	24.3
149.06012	3.7
149.09566	21.5
149.13280	6.5
151.07510	11.7
154.07733	4.1
154.98270	3.8
155.08540	17.0
155.10670	5.6
156.09320	13.0
157.10101	49.6
158.10825	7.9
159.08084	20.8
159.11644	34.7
161.09625	21.5
161.13277	7.5
163.11153	34.2
163.56644	4.0
165.07021	8.9
165.09076	10.9
167.08522	9.2
167.10660	85.6
168.09299	7.0
168.10973	3.9
169.10071	26.3
170.10838	6.0
171.11661	30.8
172.12259	3.9
173.09599	7.7
173.13232	24.3
174.89627	3.4
175.11168	14.5
175.14799	10.2
179.08549	11.3
180.09285	6.2
181.10228	17.6
181.12163	30.6
182.10828	8.1
183.11629	29.6
185.09560	5.3
185.13223	16.5
187.11133	11.6
187.14790	7.5
189.12732	12.7
191.14342	9.4
193.10107	16.8
194.10983	9.2
195.11632	19.2
196.12372	6.4
197.13220	21.8
199.11353	4.4
199.14778	13.6
203.14314	9.1
206.10898	4.2
207.11667	10.6
207.13809	19.0
208.12411	5.6
209.13213	20.1
209.15334	4.2
211.14763	17.2
213.12747	7.5
213.16295	6.7
215.14250	10.4
217.10100	4.7
219.11589	5.0
221.13232	15.1
221.15331	21.8
223.11119	4.5
223.14754	14.0
225.12674	5.9
225.16309	8.9
231.13864	5.6
233.13274	7.2
233.15302	38.0
234.57848	3.9
235.14861	13.5
237.16429	11.2
239.14230	4.6
251.17908	5.9
253.15642	5.6
255.17569	6.3
259.14658	4.0
261.16382	7.3
263.17804	4.9
267.17621	4.7
269.18918	7.9
273.16113	6.0
281.19119	5.3
299.20023	12.3
301.21573	5.0
347.23477	4.2
361.24973	4.9
379.26569	4.7
389.25095	4.1
389.59451	4.0
391.26019	3.8
502.84665	4.5
511.14206	3.7
581.39465	9.6
599.40875	22.2
617.41846	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93866	4.1
53.03928	10.2
55.05509	24.4
56.96548	12.2
57.07064	10.8
65.03932	6.8
67.05499	45.5
69.03414	19.1
69.07070	26.7
71.04986	5.3
71.75237	5.5
74.97282	4.8
75.16138	3.9
79.05493	46.0
81.03411	7.2
81.07047	50.8
83.04964	24.6
83.08614	6.0
84.96060	5.0
85.06538	8.9
86.43100	4.0
91.05469	56.5
91.16283	4.6
93.07034	72.4
94.07342	4.9
95.04964	39.3
95.08598	58.2
97.06518	20.0
99.08086	4.9
105.07012	100.0
107.08584	60.5
107.14818	5.5
109.06519	29.7
109.07157	5.7
109.10146	30.2
111.08062	8.6
113.09602	7.1
113.46048	4.3
115.05438	4.6
117.06987	26.9
119.08572	85.4
121.06480	12.7
121.10122	76.9
123.08047	47.9
123.11742	8.8
125.05989	18.1
125.09624	10.5
128.06219	19.8
129.06981	18.1
130.07774	12.0
131.08553	48.9
133.06531	5.7
133.10118	52.3
135.08066	22.0
135.11656	20.3
137.09615	11.4
139.11157	7.0
141.06956	11.0
142.07756	21.2
143.00113	5.3
143.08571	41.2
144.09282	10.6
145.06499	5.7
145.10117	68.4
147.08054	25.2
147.11674	20.0
149.09589	19.8
151.07500	34.1
151.11174	6.7
155.08521	13.0
156.09305	17.2
157.10138	47.2
158.10846	6.1
159.08083	12.9
159.11716	33.5
161.01196	9.2
161.09590	14.8
161.13206	9.2
163.11168	36.5
165.06955	7.5
165.09065	38.2
167.08580	10.5
167.10664	46.1
169.10097	25.7
170.10838	5.2
171.11707	31.9
173.09474	10.3
173.13257	16.5
175.11180	9.9
175.14865	6.9
177.09081	4.6
179.08537	12.3
179.60365	4.3
180.09329	7.4
181.10097	12.3
181.12256	33.7
182.10841	6.5
183.11662	20.1
185.09593	6.9
185.13264	17.9
187.11163	10.8
187.14848	12.1
189.12723	16.2
191.14310	7.1
193.10161	8.5
194.10873	5.0
195.11694	19.9
196.12471	5.2
197.13252	15.4
199.11137	7.7
199.14839	9.2
201.12796	5.6
203.14267	17.3
207.11761	10.9
207.13753	21.2
209.13246	16.1
211.14760	12.2
215.14214	11.0
221.13203	12.1
221.15292	96.7
223.14749	12.8
225.16344	9.6
227.14377	7.4
233.13261	7.7
233.15367	16.0
237.12689	6.1
243.13852	4.9
245.13167	7.3
249.16467	6.4
257.18735	5.5
271.16870	6.0
282.97931	8.8
286.19247	9.6
299.20151	5.5
317.17789	14.3
392.52725	4.5
402.17960	4.7
515.72144	4.4
599.40753	23.3
617.23145	39.8
617.33362	6.3
617.42035	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77690	2.2
55.05506	24.3
57.03427	4.7
57.07064	7.9
61.72089	2.6
67.05499	62.7
69.07066	20.8
70.92712	4.6
70.93077	5.2
79.05483	29.3
81.07044	54.6
81.15774	2.7
83.08618	19.1
83.23618	2.4
86.55444	2.8
89.13143	2.3
91.05472	28.4
93.07040	38.6
95.08598	52.2
97.10152	7.0
105.07027	24.0
107.08582	24.8
109.10150	21.6
113.61186	2.4
117.07033	5.6
119.08571	24.3
121.10116	17.0
123.11714	10.9
131.08566	14.8
133.10104	13.1
135.11685	14.2
143.08493	2.9
145.09129	2.8
145.10062	15.2
147.11717	8.3
149.13264	8.8
157.10110	4.4
159.11694	10.3
161.13301	7.1
163.14877	4.8
173.13272	7.6
175.14871	4.9
185.13257	3.4
187.14616	3.6
211.14656	3.1
229.34544	2.6
259.20731	4.6
261.22171	8.5
295.63916	2.9
308.21130	2.7
311.84088	3.1
335.25696	6.9
337.27237	15.0
339.28903	4.3
436.02979	2.6
523.45056	5.5
597.48676	11.3
615.49799	100.0
616.49933	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
53.37114	1.2
55.01867	3.8
55.05499	9.4
57.03431	25.4
57.07055	4.8
65.03930	4.8
67.05499	59.6
69.03413	5.8
69.07053	12.0
71.04984	3.3
71.08610	2.4
71.75495	1.7
79.05071	2.2
79.05490	24.6
81.03403	3.0
81.07042	31.1
83.04972	4.1
83.08600	6.3
85.06535	24.1
89.06026	2.9
91.05468	24.5
93.07027	30.8
94.91737	1.5
95.04955	64.5
95.08594	27.3
97.06514	8.5
97.10183	1.8
99.08084	3.5
105.04448	1.5
105.07008	21.6
107.04926	5.5
107.08577	17.6
109.06522	16.2
109.10164	10.9
113.05987	100.0
117.07013	8.9
117.45107	1.6
119.08574	17.7
121.06463	3.1
121.10130	19.6
123.04417	2.5
123.08043	4.6
123.11656	3.0
125.05967	2.3
125.09606	2.7
128.06213	2.5
129.05421	1.7
129.06992	6.4
131.08557	11.7
133.06523	3.1
133.10100	15.2
135.08058	11.3
135.11653	4.8
137.09586	1.8
141.06938	1.5
143.08534	8.2
145.06389	1.9
145.10107	15.9
145.27167	1.4
147.08028	6.5
147.11658	4.8
149.09581	8.3
149.13260	1.7
151.07520	2.6
151.11157	4.2
154.11424	1.7
155.08493	2.3
157.10081	7.3
159.08066	3.6
159.11661	5.2
161.09621	4.9
161.13268	3.3
163.11185	4.2
165.09126	6.9
167.10620	5.3
169.08623	2.2
169.10080	4.2
171.08035	1.5
171.11655	6.0
173.09636	3.5
173.13258	5.2
175.11220	1.8
175.14824	3.6
181.10016	2.2
181.12215	2.7
183.10141	8.2
183.11696	3.9
185.13197	2.9
187.11182	2.8
187.14706	3.0
189.12686	5.0
191.10657	2.9
192.59416	1.5
195.11757	2.0
197.13208	2.5
199.11127	2.3
199.14842	4.0
201.16370	2.7
203.14375	2.8
207.11676	1.9
207.13712	2.7
209.13170	1.8
213.24120	1.6
215.14148	1.6
217.15758	3.2
221.13362	2.6
221.15253	8.6
227.14313	3.6
245.15370	19.3
247.14642	1.8
247.16953	2.4
263.16336	13.3
299.19785	1.8
309.24207	1.7
315.19543	2.0
335.25766	36.9
336.26126	1.7
337.20129	6.7
347.15454	1.8
357.06015	1.5
429.29694	2.4
443.31375	7.5
597.41364	11.6
615.41193	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.1
55.01870	14.9
55.05505	27.3
57.03156	2.0
57.03430	29.6
57.07066	18.5
59.04997	6.3
65.03920	7.3
67.05498	100.0
69.03406	7.4
69.07063	28.8
69.43917	21.7
71.04985	5.2
71.08630	16.7
73.01618	1.9
73.06541	4.5
79.05024	2.4
79.05486	75.7
81.03413	5.6
81.07043	76.9
82.17347	1.9
83.04977	13.8
83.08612	15.2
83.42434	1.9
85.02898	3.8
85.06540	16.4
85.10153	4.7
87.04444	4.3
89.06025	29.8
90.06363	4.3
91.05470	68.3
93.07034	80.5
95.04957	62.7
95.08591	58.0
97.06503	15.0
97.10165	5.7
99.04414	1.9
99.08078	15.5
103.05494	2.8
105.07015	51.6
107.04954	12.5
107.08582	46.1
107.09305	2.6
109.06501	60.7
109.10159	19.6
111.08062	8.1
113.05989	29.3
115.05448	5.0
117.07018	23.6
119.08572	42.1
121.06484	10.5
121.10128	41.0
123.08054	13.4
123.11680	8.5
125.05961	3.6
125.09620	4.9
127.07551	5.9
128.06206	4.7
129.06990	15.5
131.08537	36.0
131.09448	3.3
133.06461	5.5
133.08597	20.3
133.10118	26.9
134.08965	3.8
135.08041	50.3
135.11661	14.2
137.09593	7.8
141.07054	4.4
142.07780	5.7
143.08549	17.5
145.10097	37.4
147.08014	12.4
147.11655	13.7
149.09575	16.3
149.13208	8.8
151.07530	5.6
151.11217	3.5
155.08560	9.6
156.09270	4.0
157.10112	21.0
159.08078	6.0
159.11681	17.7
161.09576	14.6
161.13240	7.5
163.11153	10.0
165.09091	8.4
167.08569	3.6
167.10663	12.5
169.10115	9.2
171.11650	15.5
173.09570	5.8
173.13226	12.9
175.11180	7.0
175.14777	4.8
177.11201	5.5
177.12708	4.4
178.11607	2.9
181.10123	5.0
181.12143	2.9
183.11658	9.8
185.09605	4.1
185.13258	9.3
187.11145	3.7
187.14842	5.0
189.12724	5.3
189.16287	2.2
191.14267	3.2
195.11729	5.7
197.13240	8.0
199.14784	7.5
201.12758	3.4
201.16235	2.8
203.14284	5.1
207.11674	3.9
207.13751	2.5
209.13261	4.9
209.15273	2.4
211.11218	2.3
211.14891	3.8
213.12769	2.8
215.14375	2.5
217.15858	10.7
219.13774	2.7
221.13394	4.4
221.15376	10.8
222.84169	2.4
223.14796	3.8
227.14334	2.9
227.17833	2.4
231.13838	2.6
231.17429	2.9
232.09035	2.1
233.13168	3.1
233.15332	7.6
233.18785	2.0
237.16554	3.2
243.11543	2.6
245.15404	7.2
255.17278	3.1
259.20706	2.8
263.16290	3.1
273.18491	30.5
287.20169	3.0
291.19510	87.2
306.82819	2.3
307.22629	72.8
328.20535	2.2
335.25815	10.1
337.19891	2.6
343.18964	5.0
347.22079	5.8
365.23099	11.0
483.77954	2.0
505.36578	2.6
513.36121	2.2
579.40002	4.9
583.40594	2.7
597.41370	32.5
598.45831	2.5
615.41870	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.7
55.05492	8.5
57.03421	1.5
57.07071	59.3
59.04982	3.5
67.05512	9.5
68.05816	2.4
69.07063	12.5
70.17101	5.4
71.04962	1.9
71.08241	2.9
71.08624	51.5
73.06534	6.5
75.85464	1.5
79.05475	11.0
80.05804	1.4
81.03383	2.0
81.07050	12.4
82.07394	1.3
83.04952	2.6
83.08618	7.6
85.06540	2.2
85.09664	2.3
85.10171	31.8
87.04447	6.7
89.06019	100.0
91.05470	11.3
93.07040	10.0
93.07552	1.8
94.07390	2.2
95.04956	4.2
95.08573	8.6
97.06513	6.1
97.10156	4.7
99.08079	1.6
99.11723	7.4
105.06998	7.9
107.07060	3.9
107.08582	5.3
109.06464	3.4
109.10121	4.8
111.08068	1.5
111.11700	4.5
113.13261	5.7
117.06993	3.8
117.09120	5.2
119.08569	8.3
121.10113	5.7
123.08105	2.1
125.09595	1.7
127.14799	5.6
128.06248	2.2
129.06985	2.6
129.67058	1.5
130.08624	2.4
131.07040	2.3
131.08565	5.0
132.08897	2.0
133.08588	67.1
133.10136	6.6
135.08055	2.0
141.07051	1.9
143.08571	3.3
144.09041	1.3
145.10127	4.2
146.71558	1.4
147.08032	2.0
149.09590	2.3
151.07501	3.2
155.08554	2.1
157.10094	2.6
159.11691	3.7
161.09576	2.7
161.11690	2.9
167.10619	1.8
169.10080	2.0
173.13347	1.6
175.09746	1.7
177.11197	27.8
177.12726	1.5
181.10126	1.6
183.11681	1.6
218.48657	1.5
221.13622	6.8
239.14978	3.2
265.16489	1.8
271.26276	3.3
281.28680	1.3
283.17365	2.4
315.28915	4.4
327.20071	2.9
415.25354	6.1
597.46027	8.1
614.41675	6.3
615.40619	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30288	3.9
53.03951	4.0
55.01859	4.4
55.05505	15.3
57.03432	3.8
57.07063	13.4
65.03944	3.5
65.30489	3.5
67.05499	36.3
69.03408	5.7
69.07053	12.0
69.96672	4.0
70.88657	8.0
70.88995	5.4
71.04945	4.7
75.04489	5.5
79.05478	21.1
81.03413	17.3
81.07043	35.2
81.95685	3.6
83.04969	16.2
83.08612	14.3
89.06027	12.4
91.05465	31.8
93.07035	34.4
95.04391	5.3
95.04955	62.0
95.08594	24.5
97.06514	12.8
105.07025	54.1
107.04960	6.3
107.08572	38.3
109.06527	15.7
109.10140	23.5
111.08075	7.6
115.05471	7.2
117.07002	19.1
119.08572	47.9
121.06483	5.7
121.10131	30.8
123.08068	19.5
123.11681	8.1
125.05968	23.5
128.06216	15.4
129.06978	18.6
130.07785	6.0
131.08572	25.8
132.09390	5.4
133.06476	6.5
133.08571	9.2
133.10103	31.2
135.08051	23.6
135.11685	11.7
137.05959	12.6
137.09608	9.3
138.10416	5.8
141.06990	6.8
142.07777	13.7
143.08530	57.0
144.09268	5.7
145.06517	5.7
145.10100	52.6
147.08055	9.5
147.11641	8.6
149.09630	7.1
149.13229	4.8
151.11246	5.5
155.08530	16.2
156.09315	6.2
157.10109	39.4
158.10912	13.9
159.08084	13.4
159.11655	11.6
161.09616	15.2
163.07564	4.2
163.11171	21.6
165.06898	4.5
165.09105	7.1
167.08524	6.7
168.09274	4.9
169.10149	22.2
171.08012	5.4
171.11674	17.4
173.09595	11.0
173.13266	10.7
175.07394	4.4
175.11201	8.5
175.14767	5.0
179.08546	12.8
180.09337	7.5
181.10104	14.8
181.12192	14.5
182.10902	5.2
183.11700	18.9
185.09607	9.2
185.13257	9.8
187.11096	8.3
189.12653	6.6
191.14279	11.8
192.09341	6.0
193.10109	13.4
193.12152	7.2
195.11705	15.9
197.13194	13.1
198.14069	6.1
199.11142	12.3
199.14830	5.4
201.09094	7.3
203.14279	4.8
205.10211	4.8
206.10962	4.4
207.11688	12.8
209.13254	15.8
211.11089	7.0
211.14737	6.5
213.12764	9.2
216.11345	6.9
217.12215	5.6
220.12457	3.9
221.13254	17.1
221.15260	8.0
223.11163	6.7
223.14816	9.0
225.12720	8.6
227.14339	7.0
231.11716	5.4
232.12534	5.3
233.13184	10.0
235.14905	9.1
237.12700	4.3
245.13263	6.0
246.14026	4.8
247.11047	4.6
247.14894	7.3
248.15543	5.2
251.14227	6.8
253.15790	4.8
261.16476	7.4
263.14511	4.9
265.16055	4.8
267.15784	32.9
273.18478	31.7
275.14630	4.7
275.17706	5.0
279.17340	6.2
286.19174	5.0
291.17557	5.2
291.21313	4.1
305.17432	23.8
331.18936	24.5
337.21405	10.5
337.27368	39.6
338.27982	4.3
352.23938	95.8
356.05270	4.1
357.20773	5.5
367.22440	4.6
384.22888	69.7
397.23798	9.2
444.30316	10.8
459.28821	7.1
476.29221	38.3
486.57819	4.6
522.33325	11.8
529.38782	37.4
547.39630	6.5
614.30530	7.2
614.39551	100.0
614.48248	8.7
615.40222	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07736	0.4
54.63700	0.3
55.01859	0.7
55.05481	1.3
57.07071	6.7
57.45512	0.4
58.06588	2.3
60.16594	0.4
62.90234	0.4
65.03911	1.2
67.05476	1.7
68.05794	0.4
69.07035	1.6
69.85399	2.8
70.06584	18.6
71.08620	2.9
72.08134	0.5
79.05471	0.9
81.07032	1.8
83.04938	0.5
83.08575	0.5
84.08126	0.5
85.10173	0.7
88.07619	20.2
91.05441	1.6
93.07045	1.8
95.04937	0.7
95.08580	1.1
96.08911	0.4
97.06489	0.9
102.09170	15.7
105.03321	0.5
105.06999	1.5
106.07337	0.5
107.08583	1.2
109.06498	0.6
109.10172	0.6
116.68748	0.4
117.06974	0.5
119.08569	1.3
121.10104	1.4
123.08009	0.6
125.09547	0.4
131.04959	0.5
131.08553	0.8
133.10115	0.9
135.08058	0.5
139.03885	0.5
142.07785	0.6
143.08492	0.8
145.10132	0.9
147.04398	0.4
147.08025	0.5
149.02322	47.6
149.03357	1.8
149.09581	0.7
150.09929	0.4
155.08516	0.5
157.10109	0.7
159.11667	0.6
167.10654	0.9
169.10022	0.4
175.03896	0.9
175.11215	0.5
192.07860	0.4
193.04945	56.2
194.05351	0.6
204.57747	0.4
212.23682	0.8
219.06458	1.3
225.05341	0.8
256.26331	47.8
257.26807	0.7
269.04391	1.9
275.20047	0.4
276.20370	0.4
296.52103	0.4
297.03976	2.4
313.07071	3.0
341.06525	12.8
359.07516	5.9
385.09137	51.6
386.09369	0.8
417.26273	0.6
470.70288	0.5
596.40100	0.6
614.33130	100.0
615.33368	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4819
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02365	1.4
53.03938	2.9
55.01865	1.4
55.05507	18.2
57.03436	5.4
57.07063	3.0
65.03934	2.4
67.05497	52.5
69.07057	19.8
69.45314	7.4
71.04977	2.2
71.08627	2.7
79.05012	1.4
79.05483	29.6
81.07046	58.2
83.04970	1.8
83.08607	10.1
85.06553	1.7
87.84251	0.8
91.05468	23.6
93.07032	36.6
95.04961	4.4
95.08597	46.1
97.06506	2.9
97.10169	4.5
99.08072	1.4
105.04510	1.2
105.07014	25.0
105.07719	1.6
107.08578	22.4
109.06517	1.3
109.10146	20.9
111.08100	1.7
111.11742	1.3
117.06997	9.1
119.08572	20.6
121.10126	16.8
123.08071	1.1
123.11686	9.5
125.09611	1.4
128.06265	1.5
129.06995	3.5
130.07829	0.9
131.08549	18.8
133.10117	21.0
133.11119	1.1
135.11693	13.4
137.09636	0.8
137.13246	3.9
139.15923	0.7
141.06990	1.0
142.07753	1.0
143.08553	4.8
144.09465	0.7
145.10107	14.8
147.11656	14.4
149.09598	0.8
149.13220	8.3
151.11165	1.4
151.14793	1.7
155.08545	2.4
157.10149	5.0
159.11679	13.9
161.13240	10.0
163.11177	1.6
163.14796	5.4
169.10153	2.0
171.11670	6.9
173.13239	10.3
175.14766	4.9
177.12781	0.8
177.16444	2.1
179.14333	1.4
181.10097	1.0
183.11705	2.3
185.13243	5.9
187.11284	0.8
187.14816	5.6
189.16414	2.2
191.18015	1.3
195.11732	1.3
197.13229	2.0
199.14803	4.1
201.16374	3.9
203.17995	2.1
205.34862	0.9
213.16383	1.3
215.18002	1.8
217.19543	1.2
221.19153	0.7
225.16457	1.3
229.19460	1.1
231.17406	0.8
231.20982	1.2
241.19577	3.0
243.21132	2.6
253.17857	0.8
257.19153	0.7
259.20569	6.6
261.22125	11.7
263.23709	1.3
271.20618	1.0
273.22256	1.5
277.21643	4.0
287.23981	0.9
295.22861	1.0
299.23611	1.4
301.25134	1.1
309.24359	0.8
313.25323	1.6
315.23294	1.2
317.24893	1.5
333.24234	5.2
335.25803	12.1
337.27274	7.7
347.26028	1.4
475.34222	0.9
489.35831	2.1
503.36469	1.2
503.42978	1.1
515.37366	1.0
517.39166	1.4
521.43439	6.1
525.39227	0.9
529.38696	1.6
539.44470	4.0
543.40533	1.9
577.45911	1.0
595.47101	12.1
613.48193	100.0
614.48480	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4817
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03942	5.3
55.01850	1.2
55.05505	22.7
57.03433	5.2
57.07056	4.1
62.88898	1.1
65.03934	1.9
65.44781	1.1
67.05497	63.6
69.07064	21.8
70.95755	2.3
71.04989	1.7
71.08635	1.9
75.13310	1.2
79.05485	36.1
81.07047	62.7
83.04971	2.1
83.08603	12.5
85.06516	2.3
91.05470	29.4
93.07030	41.0
95.04949	3.4
95.08597	60.0
97.06528	3.0
97.10142	6.2
99.08080	1.5
105.07015	31.5
107.08575	28.7
107.09306	1.1
109.06522	2.9
109.09403	1.6
109.10147	26.4
111.08066	1.8
111.11700	1.9
113.07171	1.1
114.42245	1.2
117.06993	13.4
119.08574	26.5
121.10131	24.6
123.11678	9.6
125.09607	1.2
129.06915	5.4
131.08551	21.4
133.10124	24.6
135.11684	14.3
137.13223	5.4
143.08574	8.9
145.10117	22.7
147.11653	14.6
149.13258	10.2
151.14836	1.7
155.08582	1.9
157.10081	6.4
159.11679	17.6
161.13234	12.1
163.14819	4.7
169.10127	2.6
171.11707	6.9
173.13258	10.2
175.14847	7.9
177.16388	2.2
183.11705	2.3
185.13261	5.7
187.14755	7.3
189.16440	3.1
195.11639	1.7
197.13335	2.5
199.14870	5.1
201.16414	4.4
203.17935	2.8
205.19498	1.2
209.13359	1.6
213.16359	2.3
215.17935	2.6
217.19446	1.6
225.16267	1.2
227.18092	1.7
231.21080	1.8
241.19682	2.7
243.21147	2.8
247.20508	2.1
259.20694	7.5
261.22040	11.0
275.23682	1.3
279.23013	1.4
281.21204	1.3
299.23837	1.9
301.25250	2.1
315.26794	1.4
317.24640	3.5
333.24390	5.3
335.25735	13.8
337.27377	9.7
355.29990	1.1
489.35693	2.2
491.37576	1.3
503.37076	3.1
517.38770	1.5
521.43665	6.8
539.44647	3.7
543.40833	1.4
595.47314	11.7
613.48199	100.0
614.48163	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.2
55.01862	16.1
55.05503	33.6
57.03432	16.8
57.07077	17.9
59.04989	3.9
65.03935	5.8
67.05498	81.7
69.03416	7.2
69.07059	83.3
69.42187	4.6
69.42589	22.5
71.04993	5.1
71.08614	10.5
73.06545	7.1
77.03914	2.3
79.05482	100.0
80.42097	2.8
81.03399	9.7
81.07047	94.4
83.04966	7.9
83.08606	22.7
85.06515	9.4
85.10173	7.0
87.04463	2.5
89.06026	26.4
91.05469	88.0
93.07034	89.8
95.04952	21.0
95.08588	77.1
97.02868	4.5
97.06519	24.5
97.10159	6.8
99.04443	3.1
99.08092	6.8
105.07021	79.1
107.04936	16.8
107.08581	53.6
109.06525	13.4
109.10130	22.7
111.04432	3.1
111.08086	5.6
115.05452	7.8
117.07001	30.5
119.08570	80.4
121.06484	7.5
121.10126	54.0
123.08064	16.0
123.11687	7.5
125.05969	6.0
125.09612	9.3
128.06187	8.9
129.06979	31.5
130.07738	3.6
131.08549	61.9
133.06451	5.3
133.08583	8.6
133.10114	55.4
135.08014	14.8
135.11694	17.5
137.09596	10.9
139.11172	2.9
141.06978	9.8
142.07773	8.1
143.07013	26.1
143.08554	33.1
144.09279	3.4
145.06506	3.8
145.10107	43.3
147.08049	16.9
147.11678	29.9
149.09604	21.3
149.13234	8.1
150.76601	2.5
151.07552	6.2
151.11162	5.1
154.07777	4.8
155.08549	20.5
156.09319	7.1
157.06390	2.6
157.10117	34.6
158.10899	3.5
159.08041	8.7
159.11678	29.9
161.08159	5.6
161.09569	9.2
161.13249	19.7
163.11218	5.9
163.14874	3.1
165.07021	3.4
165.09084	11.4
167.08557	8.7
167.10678	4.3
168.09309	2.9
169.10097	21.5
171.11652	25.7
173.09680	5.8
173.13237	22.9
175.11180	6.5
175.14786	9.0
177.09131	3.7
177.11235	4.9
177.12744	4.0
179.07082	2.9
179.08501	5.8
180.09332	3.3
181.10126	12.3
181.12289	3.1
182.10872	5.4
183.07988	2.6
183.11649	18.7
184.12526	2.5
185.13246	19.5
187.11191	7.7
187.14804	13.7
189.12749	5.2
189.16336	8.8
191.14365	3.6
193.10001	6.1
195.11682	9.0
195.13318	2.4
197.13188	15.8
199.09631	17.6
199.11209	5.5
199.14821	19.5
201.12762	5.9
201.16373	7.6
203.14314	4.9
205.12328	3.3
207.11661	6.3
207.13629	4.3
209.13248	11.8
211.11208	4.2
211.14812	11.8
213.16374	9.6
215.14307	6.9
215.17831	6.0
217.10609	4.9
217.15814	13.5
219.11736	5.1
221.13264	7.8
221.15434	8.1
223.14886	7.1
225.16339	6.2
227.14352	8.2
231.17453	6.3
233.13162	5.0
233.15309	5.9
235.14766	7.2
237.16454	6.1
239.17856	5.3
241.15842	4.6
241.19557	13.7
243.13799	5.6
245.15343	12.5
251.17804	3.3
255.17653	2.8
257.19125	4.5
259.20480	25.2
263.16296	5.2
275.17825	3.1
285.22089	4.5
289.17883	3.7
295.89325	2.8
305.21100	3.1
333.24194	25.5
337.20105	17.9
363.26837	5.5
365.23853	2.7
379.30072	2.9
381.27844	6.7
454.84406	3.0
465.86670	2.8
467.20508	2.8
483.31012	4.6
485.33765	5.5
501.32285	7.5
503.34366	5.2
525.24438	2.9
553.24152	13.3
577.38782	15.7
581.40033	4.9
595.39886	68.7
596.40613	4.6
613.27216	14.8
613.41046	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48180	3.2
53.03928	8.1
53.45292	3.4
55.01864	19.3
55.05271	4.2
55.05509	67.4
57.03411	11.3
57.07055	8.8
59.04979	4.3
63.62269	3.1
64.38108	3.4
65.03923	9.1
66.37646	2.8
67.05499	94.4
67.66315	3.1
69.03409	15.2
69.06730	5.0
69.07063	55.3
71.04967	8.8
71.75808	4.1
78.12623	3.6
79.05486	95.7
81.03411	7.5
81.07051	96.7
83.04990	16.0
83.08617	41.3
84.97531	3.2
85.06525	12.4
91.05463	100.0
93.07035	92.0
95.04964	26.6
95.08591	60.0
97.02869	6.4
97.06511	21.4
97.10155	39.8
99.08071	5.4
103.05493	3.7
105.06319	5.7
105.07016	89.3
107.04928	10.2
107.07897	6.0
107.08581	73.7
108.50801	3.3
109.06493	15.5
109.10140	33.0
110.41190	3.0
111.08081	11.5
113.06047	3.6
113.09709	3.6
115.05466	6.6
117.06995	40.5
119.08562	84.2
121.06466	10.2
121.10140	55.7
123.08043	17.9
123.11692	9.1
125.06008	3.1
125.09621	32.2
128.06206	9.0
129.05447	3.9
129.06982	40.0
130.07777	6.1
131.08545	60.1
133.06467	12.3
133.10110	85.5
135.08043	24.3
135.11682	20.2
137.09564	19.5
139.11156	5.2
141.06975	11.9
142.07741	11.6
143.08546	44.9
144.09210	5.1
145.06459	5.1
145.10095	48.0
147.08064	17.4
147.11667	53.9
149.09639	19.3
149.13165	4.3
151.07542	10.2
151.11090	4.8
153.06992	4.0
153.09106	4.2
154.07765	3.4
155.08569	16.9
156.09293	10.1
157.10098	43.7
158.10797	4.5
159.08011	10.2
159.11693	38.4
161.09602	11.5
161.13205	13.1
163.11110	11.3
165.06944	4.2
165.09102	12.5
167.08566	9.4
167.10622	10.7
168.09404	5.9
169.10066	28.5
170.10887	5.3
171.08138	3.9
171.11661	40.1
173.09599	7.1
173.13226	23.3
175.11186	11.2
175.14804	9.1
177.12741	6.4
179.08519	7.8
180.09300	4.5
181.10120	14.5
182.10837	4.8
183.11699	21.1
185.09529	6.5
185.13194	19.7
187.11176	10.2
187.13266	3.6
187.14780	19.7
189.11188	21.8
189.12729	10.9
189.16328	10.8
191.14200	4.3
192.09224	4.0
193.10033	10.4
193.12054	5.0
195.11682	18.2
196.12366	3.7
197.09520	5.4
197.13255	19.3
199.11093	3.7
199.14830	8.7
201.12679	6.6
201.16389	7.8
203.14323	5.3
203.17937	12.4
206.10909	6.2
207.11636	11.0
207.13652	6.8
209.09529	3.6
209.13214	11.7
210.14035	3.5
211.14822	11.5
212.36108	3.7
213.12810	5.7
213.16345	47.5
215.14352	6.8
215.17990	7.7
217.15891	4.1
219.11664	4.7
219.17426	3.5
220.12555	3.6
221.13208	10.3
221.15392	14.2
223.13084	7.7
223.14989	6.7
225.12762	4.4
225.16335	5.9
227.12709	24.5
227.17857	3.9
229.15956	6.4
231.17404	69.6
233.15312	14.2
235.14774	8.0
237.12598	3.9
237.16354	5.1
239.17891	9.5
243.65508	4.1
245.13696	5.9
247.16934	8.0
249.16360	5.9
253.15935	3.5
255.17557	5.0
257.18918	5.5
259.20496	4.1
261.18643	5.6
265.19656	3.8
273.18530	8.7
275.20016	12.3
279.17462	4.6
289.17944	22.1
291.19571	53.2
303.19687	4.3
305.21112	21.3
335.23331	4.0
351.26794	9.2
353.24493	4.6
365.23331	26.2
409.27713	4.4
440.39688	3.6
462.86298	4.0
467.88574	3.4
483.31354	8.2
485.33823	6.2
487.30975	3.5
497.32605	5.7
501.31863	7.5
503.35056	10.4
521.36273	7.8
539.37433	5.2
577.38892	20.2
581.39703	10.2
595.39966	80.5
613.41180	82.8
614.41742	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48180	3.2
53.03928	8.1
53.45292	3.4
55.01864	19.3
55.05271	4.2
55.05509	67.4
57.03411	11.3
57.07055	8.8
59.04979	4.3
63.62269	3.1
64.38108	3.4
65.03923	9.1
66.37646	2.8
67.05499	94.4
67.66315	3.1
69.03409	15.2
69.06730	5.0
69.07063	55.3
71.04967	8.8
71.75808	4.1
78.12623	3.6
79.05486	95.7
81.03411	7.5
81.07051	96.7
83.04990	16.0
83.08617	41.3
84.97531	3.2
85.06525	12.4
91.05463	100.0
93.07035	92.0
95.04964	26.6
95.08591	60.0
97.02869	6.4
97.06511	21.4
97.10155	39.8
99.08071	5.4
103.05493	3.7
105.06319	5.7
105.07016	89.3
107.04928	10.2
107.07897	6.0
107.08581	73.7
108.50801	3.3
109.06493	15.5
109.10140	33.0
110.41190	3.0
111.08081	11.5
113.06047	3.6
113.09709	3.6
115.05466	6.6
117.06995	40.5
119.08562	84.2
121.06466	10.2
121.10140	55.7
123.08043	17.9
123.11692	9.1
125.06008	3.1
125.09621	32.2
128.06206	9.0
129.05447	3.9
129.06982	40.0
130.07777	6.1
131.08545	60.1
133.06467	12.3
133.10110	85.5
135.08043	24.3
135.11682	20.2
137.09564	19.5
139.11156	5.2
141.06975	11.9
142.07741	11.6
143.08546	44.9
144.09210	5.1
145.06459	5.1
145.10095	48.0
147.08064	17.4
147.11667	53.9
149.09639	19.3
149.13165	4.3
151.07542	10.2
151.11090	4.8
153.06992	4.0
153.09106	4.2
154.07765	3.4
155.08569	16.9
156.09293	10.1
157.10098	43.7
158.10797	4.5
159.08011	10.2
159.11693	38.4
161.09602	11.5
161.13205	13.1
163.11110	11.3
165.06944	4.2
165.09102	12.5
167.08566	9.4
167.10622	10.7
168.09404	5.9
169.10066	28.5
170.10887	5.3
171.08138	3.9
171.11661	40.1
173.09599	7.1
173.13226	23.3
175.11186	11.2
175.14804	9.1
177.12741	6.4
179.08519	7.8
180.09300	4.5
181.10120	14.5
182.10837	4.8
183.11699	21.1
185.09529	6.5
185.13194	19.7
187.11176	10.2
187.13266	3.6
187.14780	19.7
189.11188	21.8
189.12729	10.9
189.16328	10.8
191.14200	4.3
192.09224	4.0
193.10033	10.4
193.12054	5.0
195.11682	18.2
196.12366	3.7
197.09520	5.4
197.13255	19.3
199.11093	3.7
199.14830	8.7
201.12679	6.6
201.16389	7.8
203.14323	5.3
203.17937	12.4
206.10909	6.2
207.11636	11.0
207.13652	6.8
209.09529	3.6
209.13214	11.7
210.14035	3.5
211.14822	11.5
212.36108	3.7
213.12810	5.7
213.16345	47.5
215.14352	6.8
215.17990	7.7
217.15891	4.1
219.11664	4.7
219.17426	3.5
220.12555	3.6
221.13208	10.3
221.15392	14.2
223.13084	7.7
223.14989	6.7
225.12762	4.4
225.16335	5.9
227.12709	24.5
227.17857	3.9
229.15956	6.4
231.17404	69.6
233.15312	14.2
235.14774	8.0
237.12598	3.9
237.16354	5.1
239.17891	9.5
243.65508	4.1
245.13696	5.9
247.16934	8.0
249.16360	5.9
253.15935	3.5
255.17557	5.0
257.18918	5.5
259.20496	4.1
261.18643	5.6
265.19656	3.8
273.18530	8.7
275.20016	12.3
279.17462	4.6
289.17944	22.1
291.19571	53.2
303.19687	4.3
305.21112	21.3
335.23331	4.0
351.26794	9.2
353.24493	4.6
365.23331	26.2
409.27713	4.4
440.39688	3.6
462.86298	4.0
467.88574	3.4
483.31354	8.2
485.33823	6.2
487.30975	3.5
497.32605	5.7
501.31863	7.5
503.35056	10.4
521.36273	7.8
539.37433	5.2
577.38892	20.2
581.39703	10.2
595.39966	80.5
613.41180	82.8
614.41742	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.5
55.01863	0.5
55.05505	2.1
57.03404	0.3
65.03049	0.3
67.05499	2.8
68.83970	0.3
69.07055	1.4
70.03922	1.0
70.04332	0.7
76.10071	0.3
79.05485	4.3
81.03404	0.4
81.07047	3.5
83.08605	0.9
85.06516	0.4
91.05456	3.5
93.07030	3.9
95.04953	1.2
95.08586	2.0
97.06496	1.1
97.10151	0.7
105.06995	2.7
106.06564	0.3
107.04955	0.3
107.08578	2.3
109.06506	2.4
109.10138	1.1
117.07007	0.8
119.08540	2.3
121.06485	0.4
121.10133	2.9
123.08070	0.5
123.11694	0.5
125.09550	0.6
129.06982	0.5
131.08545	1.3
133.10060	1.6
135.08041	0.8
135.11690	0.9
137.09607	1.1
143.08560	1.0
144.08121	0.3
144.09312	0.3
145.07559	0.3
145.10094	1.2
147.11652	0.9
149.09613	0.7
151.07559	0.3
151.11198	0.4
155.08578	0.3
157.10147	1.5
159.07951	0.4
159.11659	0.7
161.09590	0.4
161.13268	0.6
163.11147	0.4
169.10049	0.6
171.11670	0.7
173.13190	0.5
183.11708	0.5
195.11755	0.4
201.16374	0.4
203.14088	0.4
207.11581	0.4
221.15329	0.7
233.15402	0.4
247.16977	0.4
249.10251	0.7
261.18503	0.5
263.12006	0.4
265.12909	0.3
271.17004	0.8
275.20184	0.9
289.17899	1.7
290.13452	0.3
307.19217	0.4
307.22610	0.4
337.14514	0.3
338.15543	0.5
339.16187	0.4
349.23676	0.4
352.17087	0.3
353.14017	0.4
353.17902	0.8
365.18042	0.3
366.14935	1.1
367.15244	0.6
367.19141	1.0
368.20071	0.4
379.15491	0.7
380.16299	1.2
381.16818	2.6
381.21274	0.5
382.17987	0.5
393.16989	0.7
394.18103	0.6
395.14633	0.4
395.18918	3.5
396.19534	3.0
397.20175	1.2
407.19193	0.4
408.15155	0.6
408.19827	0.7
409.15677	1.8
409.20453	1.2
410.21271	0.9
411.22018	2.1
421.20493	0.6
422.17575	0.4
423.17514	3.2
424.18716	3.1
425.19855	0.9
435.17896	1.0
436.14740	0.4
437.15793	1.7
437.20117	1.2
438.20764	2.8
439.21347	5.1
441.23264	0.4
449.19662	1.3
451.16910	4.3
452.17810	2.3
453.18954	0.8
465.19214	1.3
466.19821	3.5
467.20618	3.2
479.20801	3.1
480.21454	0.6
482.22952	1.0
483.24213	1.5
493.22202	1.0
495.20361	0.4
497.18353	0.5
497.25482	1.5
498.22336	0.5
510.22641	2.1
511.19473	0.8
512.23932	0.4
513.25177	0.4
521.21973	0.8
525.24988	8.8
535.23438	0.6
536.23163	0.4
538.22070	1.9
539.22595	0.7
553.24347	18.0
554.24652	1.1
581.24078	0.9
584.22156	0.5
585.26996	0.6
595.40002	0.8
598.24036	0.9
613.26465	100.0
613.42102	3.4
614.26678	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2647
Annotation	Karajinone B
Peak:m/z	Relative Intensity
53.03934	0.8
55.01857	2.4
55.05510	2.2
57.03437	1.1
63.75612	0.8
64.84996	0.7
67.05497	6.3
67.34576	0.6
69.03416	1.4
69.07056	5.5
70.75153	0.7
71.75243	1.3
76.17570	0.7
79.05489	4.8
81.03416	1.1
81.07039	7.2
83.08598	1.6
91.05460	7.0
93.07038	4.9
95.04964	3.3
95.08608	2.7
97.06530	2.6
105.07004	4.1
107.04945	2.1
107.08552	3.7
108.08111	0.9
109.06516	1.8
109.10164	2.1
117.07001	3.0
119.08577	4.5
120.04408	0.8
121.06477	1.4
121.10118	3.5
125.09638	1.7
129.06990	1.7
129.83862	0.7
130.07710	0.7
131.07307	1.6
131.08568	2.8
133.10115	4.6
135.08005	1.9
135.11700	1.4
136.07562	2.5
137.09584	1.1
140.62311	0.8
143.08528	1.8
145.06381	1.0
145.08916	0.9
145.10130	2.3
146.05981	0.9
147.07993	0.9
147.11676	2.2
149.09592	2.4
155.08517	0.9
155.10774	0.9
157.10170	2.1
159.08015	0.8
159.11690	1.2
161.09563	1.1
161.13164	0.8
163.11166	1.5
167.08681	0.9
167.10703	2.1
171.11716	0.9
173.13345	1.0
174.09134	7.4
180.81343	0.8
181.10156	0.7
183.11768	1.4
186.09230	0.9
187.08644	0.8
187.12279	2.7
188.10811	3.7
195.11815	0.8
197.10825	1.2
197.13211	0.9
198.11577	0.8
199.08708	1.4
199.12433	1.4
200.10806	1.1
201.10332	0.9
201.12633	1.0
201.16405	1.1
211.08630	3.0
212.09346	1.2
213.10231	1.1
215.11810	2.0
215.14133	0.7
221.15483	1.0
223.08829	0.9
223.14998	0.8
224.09509	1.2
225.10231	4.6
226.10936	1.4
227.11736	5.0
235.08736	2.3
236.09280	0.9
237.10181	1.7
238.11026	0.9
239.11734	3.6
241.13310	6.5
243.11288	21.4
243.13783	1.1
247.17166	1.1
249.10271	2.9
250.10896	0.8
251.11862	3.8
252.09055	0.8
253.09712	1.8
265.09766	1.7
267.11295	8.0
269.12927	6.9
271.10812	1.6
275.20093	2.6
277.09637	1.7
285.12448	0.9
287.13910	4.0
288.11435	0.8
291.10867	0.9
292.14658	0.9
293.12869	1.7
295.10764	6.7
297.12317	1.1
305.11493	0.8
306.12402	1.0
309.12616	0.9
311.14023	3.9
313.11908	2.3
314.12842	1.9
315.10019	1.0
315.13498	1.0
316.07379	0.7
316.10773	1.6
316.14465	1.1
317.11292	0.9
319.10538	1.4
320.13959	1.0
326.13129	1.4
327.13336	8.2
328.10754	1.7
328.14459	2.6
329.11481	1.6
329.15320	1.0
330.12183	2.0
330.16144	2.2
334.15558	1.0
342.12350	3.0
342.16086	1.6
343.13254	2.5
344.13861	3.5
344.17612	1.5
345.14801	1.7
346.15540	2.2
346.19577	0.9
348.13550	3.0
349.23819	1.5
354.12228	1.4
354.16049	2.0
356.13953	4.2
357.14926	2.4
358.15472	5.4
360.17676	1.1
362.14548	1.1
368.13962	1.0
370.15549	2.8
371.16354	1.6
372.17245	4.9
373.17926	1.6
374.18549	2.3
382.15543	1.2
384.13022	1.2
384.17331	1.5
385.18121	1.2
386.14850	2.2
386.18793	2.5
392.17105	1.0
398.14932	1.9
400.16589	3.4
403.15732	1.1
405.17188	1.1
405.25351	1.0
412.16275	1.1
417.16769	1.4
418.17648	4.4
419.18887	1.7
421.16586	1.3
432.18921	1.2
434.18555	1.8
435.13782	1.3
435.18857	1.2
436.19452	1.7
437.19788	1.6
444.15869	0.9
446.17114	1.2
447.17673	1.3
449.19937	1.3
450.16269	1.1
450.21634	1.1
458.17102	1.5
461.23810	1.7
462.24496	1.0
464.18082	1.3
465.18314	10.1
466.19800	1.7
476.19064	0.8
477.19305	3.0
478.19968	3.9
479.20648	4.0
480.21677	3.7
481.22223	2.5
489.23325	2.0
490.19556	6.5
491.20438	1.3
492.21841	2.6
493.23090	4.8
494.23026	2.1
507.24072	5.2
508.21268	1.8
509.25217	1.4
517.22357	2.9
520.21039	1.5
521.21912	1.2
535.23297	17.3
536.22742	1.3
539.23059	1.0
540.23883	0.9
541.24133	1.6
553.24420	87.0
554.24988	4.1
563.22821	4.6
581.23926	59.2
582.24292	2.3
595.25281	2.3
595.38977	1.8
613.26477	100.0
614.27045	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03937	2.2
54.40837	0.8
55.01850	1.9
55.05267	1.2
55.05506	15.7
57.03426	6.2
57.07056	3.4
65.03923	2.0
67.05497	45.6
69.03423	1.0
69.07059	18.1
71.04967	1.5
71.08599	1.6
71.66856	2.0
73.06500	1.0
77.03893	1.1
79.05484	29.6
81.07047	49.9
83.08607	11.1
85.06519	3.0
88.94815	0.9
89.06019	1.3
91.05470	29.5
93.07031	41.4
95.04952	3.1
95.08595	40.8
97.06507	2.4
97.10149	3.9
99.08079	1.1
105.04487	1.0
105.07018	34.1
107.04941	0.9
107.08580	24.9
109.06512	1.7
109.10152	19.3
111.08083	1.2
115.05389	1.2
117.07003	13.4
119.08568	30.1
120.08779	0.9
121.10139	17.8
123.11728	5.2
125.09585	0.9
128.06219	2.6
129.06979	11.0
130.07796	1.1
131.08543	23.5
133.10112	23.3
135.07986	0.9
135.11676	14.1
137.13283	1.5
141.06984	2.8
142.07750	2.1
143.08542	15.4
145.10109	23.5
145.11211	1.6
147.11659	18.4
149.09604	1.3
149.13226	6.3
155.08531	6.7
156.09256	1.5
157.10100	12.9
159.11682	19.3
161.13235	12.4
163.14838	3.6
167.08582	2.4
169.10095	6.8
171.11671	12.5
173.13237	12.7
175.14796	5.8
177.12776	0.9
181.10103	3.3
183.11693	8.4
185.13249	12.5
187.14778	6.3
189.16386	1.7
191.18071	1.0
195.11687	3.4
196.12402	0.9
197.13200	6.1
199.14786	7.3
201.16371	4.4
203.17964	2.3
207.11711	1.0
209.13300	3.1
211.14839	4.5
213.12781	1.0
213.16376	3.1
215.17990	2.5
217.19511	1.8
221.13237	1.1
223.14870	2.5
225.16377	3.4
227.17917	3.3
229.19482	2.1
231.17503	0.9
231.21016	1.3
237.16380	1.5
239.17903	3.2
241.19534	8.9
243.21019	2.4
251.17795	1.5
253.19450	1.1
255.21263	1.9
257.19000	3.5
259.20557	17.7
260.63477	1.1
261.22165	3.5
271.20560	1.2
277.21600	1.5
285.22101	1.1
295.20554	1.0
297.22040	1.0
301.25470	1.0
315.23004	1.6
315.82269	0.9
325.25198	2.0
333.24182	10.2
335.25723	17.3
339.26840	1.4
353.28250	2.1
367.29883	1.2
379.30240	1.5
463.36060	1.3
477.22723	1.2
487.24274	1.7
487.34164	1.0
501.41315	1.8
519.41980	8.1
527.36993	1.6
537.43164	5.0
541.39038	1.1
575.44586	1.1
593.26508	3.1
593.45581	8.4
611.28082	8.0
611.46613	100.0
612.46619	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	3.7
55.05501	24.9
55.88727	2.8
56.91510	2.4
65.49252	2.4
67.05495	50.2
69.07066	17.8
75.98750	2.6
79.05479	44.8
81.07043	49.7
83.08607	12.6
85.06545	3.9
88.43265	2.6
91.05455	33.3
93.07040	43.5
95.04957	5.5
95.08585	36.2
97.06533	3.6
98.20733	15.1
98.21442	10.5
99.08090	3.4
105.07003	32.0
105.07640	3.9
107.08572	19.4
109.10144	12.3
117.06998	14.4
119.08546	32.1
121.10138	17.3
123.11684	5.8
129.07007	7.1
131.08545	24.1
133.10115	20.5
135.11729	14.6
143.08546	13.5
145.10107	23.8
147.11671	16.6
149.13281	8.6
155.08533	5.9
155.65797	2.8
157.10081	13.9
157.49051	2.6
159.11708	13.9
161.13231	11.5
163.14815	3.5
169.10065	6.7
171.11697	12.6
173.13272	7.9
175.14801	3.9
179.14288	3.7
183.11674	6.9
185.13332	8.6
187.14882	5.5
197.13261	4.2
199.14787	5.1
213.16380	4.7
230.41519	4.4
241.19569	7.1
245.63007	3.3
251.49493	3.5
257.19061	4.7
259.20471	17.1
277.21658	5.4
333.24258	11.6
335.25848	12.0
519.41553	6.7
593.45447	5.7
611.46588	100.0
612.46649	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.1
53.03936	7.6
54.07910	0.8
55.01873	7.2
55.05503	12.4
57.03434	8.8
61.02911	1.3
65.03931	2.3
67.05498	27.8
69.03426	16.4
69.07070	6.2
69.44118	9.4
71.04997	6.5
79.05491	22.7
81.03411	100.0
81.07050	22.5
83.04972	16.8
83.08604	12.4
85.02899	22.0
91.05473	64.4
93.07037	29.0
95.04958	20.6
95.08599	19.6
97.02877	14.0
97.06527	5.9
97.10172	2.8
99.04449	4.3
99.08061	0.9
103.03930	1.3
103.05465	2.0
105.07014	15.6
107.04964	6.6
107.08588	8.5
109.02872	16.8
109.06490	4.9
109.10148	11.4
111.04433	11.8
111.08079	5.9
117.07006	7.8
119.04916	1.7
119.08572	64.3
121.06477	7.0
121.10139	9.6
122.50177	1.0
123.04420	2.8
123.08074	2.8
123.11715	1.6
125.05977	1.8
125.09637	5.8
127.03915	10.0
128.06268	1.2
129.05507	2.3
129.06990	8.7
131.04906	1.2
131.08600	6.8
133.06485	3.3
133.10126	6.8
135.08047	3.5
135.11700	1.3
137.09602	28.0
142.07747	1.7
143.07001	1.1
143.08588	2.2
145.06474	1.9
145.10127	3.3
147.04422	1.2
147.08047	8.3
147.11664	10.0
149.05992	2.0
149.09637	4.9
151.11201	1.2
153.09097	7.0
153.12740	1.7
157.10129	7.5
159.08014	1.0
161.06058	1.5
161.09596	1.4
163.03893	2.3
163.07578	1.4
163.11201	3.7
165.05531	1.0
165.09116	25.3
165.12773	3.3
173.02409	2.3
173.04471	1.1
173.05998	1.0
175.11188	5.7
177.09166	1.4
181.08585	2.1
181.12311	2.2
183.06599	1.2
183.10153	19.5
189.09096	2.1
191.10677	2.6
193.12224	26.4
199.09560	1.6
209.11729	2.1
211.13272	42.4
215.06976	2.1
227.12822	3.3
239.12752	12.7
257.13831	7.6
267.15906	9.4
273.11298	1.5
273.14886	1.6
277.14444	1.3
281.13943	1.0
285.16949	9.8
291.12415	1.6
301.14276	1.8
309.13412	1.4
319.15445	1.5
327.14352	3.6
337.16562	1.7
339.19489	2.1
347.14542	1.5
355.17487	3.5
357.20483	2.1
365.15982	2.2
383.17230	2.5
393.19025	1.1
401.17908	1.5
411.20294	4.3
419.11609	2.0
429.21362	2.7
431.24258	9.1
449.25363	13.2
465.55820	1.1
467.26385	15.2
473.25610	1.1
483.26215	1.1
491.26318	1.5
518.07159	1.0
537.24719	1.9
545.27118	1.4
557.27441	3.8
575.27979	3.2
593.29327	14.3
611.30518	47.7
612.30389	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1604
Annotation	Cyanin
Peak:m/z	Relative Intensity
51.47849	0.1
55.01857	0.2
56.21938	0.1
57.03415	0.4
61.02921	3.8
68.99788	0.3
69.03427	0.8
69.83064	0.3
69.83470	0.7
73.02916	1.0
79.05462	0.2
80.82479	0.1
81.03394	0.4
81.65475	0.1
85.02899	3.3
91.03949	1.8
91.05371	0.1
95.04951	0.2
96.68858	0.1
97.02882	2.0
99.04391	0.2
105.03380	0.2
107.04920	0.3
109.02857	0.3
111.00801	0.4
121.02859	2.1
127.03909	0.8
133.02846	0.5
135.04382	0.2
137.02357	0.6
145.04933	0.5
147.04411	0.4
153.01799	2.6
157.06467	0.3
165.01801	1.4
171.04465	0.2
177.05423	0.5
183.02887	0.7
185.05986	0.3
185.76764	0.1
203.03360	0.2
205.58485	0.1
207.06512	0.3
208.07263	0.5
213.05444	1.2
231.06494	0.6
241.04927	1.0
258.05322	0.7
259.06009	0.2
287.05466	100.0
288.05719	1.3
299.05383	0.3
345.06506	0.2
353.06137	0.2
360.94153	0.1
363.07321	0.4
419.11591	0.1
444.58826	0.1
449.10760	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1599
Annotation	Rutine
Peak:m/z	Relative Intensity
55.01862	0.6
55.21418	0.4
57.03421	2.0
58.45518	0.4
61.02902	0.4
63.07375	0.4
69.03400	0.9
69.68350	3.2
71.04987	10.4
81.03407	0.8
82.61528	0.4
83.04948	0.7
84.90116	0.4
85.02895	14.4
87.04439	0.5
88.12733	0.4
94.26812	0.4
95.57483	0.4
97.02893	1.4
97.06496	0.7
109.02871	0.6
111.00788	0.7
123.04493	0.5
127.03877	1.1
129.05479	3.1
134.33617	0.4
137.02296	2.2
145.04936	1.0
147.06519	1.0
153.01807	2.8
163.03876	0.6
165.01816	1.9
182.05299	0.4
183.02805	0.7
201.05424	1.1
214.75110	0.5
218.71167	0.6
229.04935	2.9
257.04391	2.1
274.04691	0.7
285.03955	0.7
287.05432	3.0
287.18466	1.2
299.05591	1.2
303.04956	100.0
304.05246	1.3
340.79233	0.5
395.07739	0.5
413.08624	0.6
449.10788	0.9
454.44452	0.6
465.10300	0.7
575.13855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13637	3.7
53.03936	9.7
55.01865	8.5
55.05508	25.1
57.03414	9.2
57.07061	10.5
65.03951	3.0
67.05495	54.4
69.03416	14.9
69.07056	49.2
69.91603	22.0
71.04995	8.8
71.08618	6.4
73.04753	5.1
79.05482	40.0
81.03410	72.1
81.07049	100.0
83.04960	6.9
83.08600	25.0
85.02876	17.5
87.00836	8.5
91.05404	38.8
92.05834	4.2
93.07033	71.6
95.04967	14.8
95.08597	99.2
97.02901	11.4
97.06525	15.9
97.10144	18.8
98.21420	6.0
99.04456	4.3
102.22837	3.4
105.01841	7.5
105.07024	37.4
107.04940	6.0
107.08581	45.6
109.02833	9.6
109.10132	66.6
110.63364	3.7
111.04449	3.8
111.08093	5.4
111.11702	10.8
115.05421	4.1
117.07044	8.8
118.07319	5.0
119.08556	35.7
121.06512	7.6
121.10120	42.6
123.08069	4.8
123.11703	27.3
125.09624	4.8
125.13248	6.0
127.03904	14.4
128.00471	3.0
129.07031	5.7
131.08542	4.3
133.10110	11.2
135.04420	5.1
135.07997	5.3
135.11693	28.3
137.09631	11.0
137.13231	24.1
139.11160	6.3
145.04958	4.9
147.04391	6.9
147.08025	5.5
147.11684	29.2
149.06038	3.7
149.13255	25.3
151.14775	5.1
161.13239	9.0
163.03854	22.3
163.11122	3.8
163.14766	18.1
165.09125	5.7
165.12759	12.6
165.16371	5.8
167.05492	8.1
173.02361	8.2
173.05963	4.1
175.14784	9.4
177.16380	11.1
183.13777	10.3
187.03894	7.6
189.16417	4.4
191.17902	8.2
193.12196	9.5
201.05525	4.4
211.13231	5.3
217.19450	9.7
231.05153	6.5
239.07039	3.7
239.12752	4.2
247.24295	5.0
273.25708	35.2
274.65143	3.6
285.00995	5.0
291.26810	31.0
302.38821	3.7
309.11084	3.9
309.27866	12.8
327.12137	4.3
335.62579	3.5
355.06894	9.6
355.15442	11.0
373.14948	3.8
399.28638	4.2
448.24048	6.0
519.23407	3.8
526.27277	3.9
537.24481	6.9
593.27130	13.4
610.28662	9.8
611.28094	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02411	1.5
53.03936	5.2
55.01869	5.2
55.05502	19.7
57.03440	11.1
57.07075	2.2
65.03928	6.5
67.05499	61.1
69.03420	2.0
69.07063	19.6
70.62466	1.5
70.70604	4.4
70.70953	2.5
71.05002	2.8
76.07303	1.5
77.66110	1.7
79.05486	63.3
81.03418	2.8
81.07048	63.8
83.04979	2.7
83.08611	6.8
85.06542	4.5
91.05470	60.4
93.07037	56.2
95.01337	3.6
95.04961	11.2
95.08597	38.9
95.09189	2.4
97.06528	6.5
97.10154	3.6
99.04449	4.5
99.08073	2.1
103.05441	2.2
105.07018	46.8
105.07719	3.0
107.04945	6.8
107.08582	25.4
109.06491	11.6
109.10139	12.5
111.08073	2.5
117.07006	18.0
119.08575	34.0
119.09398	2.3
121.06483	2.1
121.10130	19.4
123.08054	2.9
129.07005	5.4
131.08563	26.1
133.10115	25.8
135.08089	3.5
135.11693	11.8
137.09587	3.5
143.08569	4.6
145.10118	18.9
147.11681	12.2
149.09605	3.7
149.13249	7.3
153.12743	2.9
157.10155	5.1
159.11690	9.7
161.13271	4.5
163.11110	1.9
169.10040	2.5
171.11752	1.9
173.13281	7.0
175.14825	3.0
177.12799	2.4
179.14305	4.4
183.11755	1.8
185.13213	3.8
191.14246	2.2
197.13232	2.7
201.16412	4.9
203.14478	2.0
219.17424	100.0
239.17924	2.7
247.20682	2.2
257.19058	4.6
275.20053	43.2
293.21219	3.8
296.45370	1.7
335.25900	2.0
404.41821	1.7
491.22455	2.0
543.40271	2.3
549.24506	1.9
550.25598	2.7
550.49988	1.7
609.27368	18.2
609.45074	59.1
610.26208	2.1
610.45709	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
54.69799	0.9
55.01847	2.8
55.05503	18.4
57.03420	3.6
57.07055	2.2
59.95446	0.8
61.29134	0.8
65.03938	2.2
67.05495	32.9
69.03443	1.1
69.07059	16.8
71.04985	2.2
71.67193	0.9
79.05482	23.2
79.05921	1.8
81.03426	1.4
81.07045	33.9
83.04980	1.6
83.08610	9.1
85.06573	1.1
91.05465	20.0
93.07027	26.7
93.07570	1.8
93.98062	0.9
95.04942	3.2
95.08598	30.7
97.06521	3.3
97.10152	4.8
99.08041	1.3
99.55569	0.9
103.05434	1.6
104.66593	0.8
105.07016	21.9
107.04950	1.6
107.08576	15.1
109.06503	1.7
109.10145	10.8
111.08096	1.6
115.05440	2.2
116.06254	1.1
117.07017	12.6
119.08567	18.4
119.09396	1.3
121.10143	10.4
123.07993	1.1
123.11699	1.6
125.09618	1.0
128.06190	5.5
129.06993	12.5
130.07777	1.8
131.08542	18.1
133.10115	14.6
133.11031	1.6
135.11678	5.6
137.09605	1.4
137.13225	1.2
141.06949	5.0
142.07762	4.0
143.08543	18.1
144.09320	0.9
145.10120	20.1
147.11639	9.4
147.12514	0.8
149.09592	1.5
149.13249	4.0
153.06972	2.0
154.07771	1.3
155.08517	13.3
156.09398	2.5
157.10104	16.1
157.11334	0.8
159.11646	12.1
159.12772	1.3
161.13235	5.4
163.11137	1.3
165.06940	1.9
167.08537	6.7
168.09364	2.8
169.10107	17.4
170.10889	1.6
171.11662	16.1
173.13264	7.6
173.72623	0.9
174.80855	0.9
175.14819	2.6
179.08585	3.0
179.14455	1.1
180.09308	1.7
181.10098	10.0
182.10890	1.2
183.11668	18.7
185.13216	10.0
187.14833	4.2
189.16449	1.3
193.10136	3.8
195.11659	12.2
196.12531	1.4
197.13220	13.3
199.14812	7.4
201.16304	2.4
205.10048	1.3
206.10938	1.0
207.11707	3.7
208.12474	1.2
209.13219	9.8
211.14792	8.6
213.16440	4.6
215.18042	1.6
219.11681	1.3
221.13269	3.3
223.14774	8.5
225.16342	5.4
227.18011	3.2
233.13174	1.7
235.14870	1.9
237.16400	4.3
239.17854	4.6
241.19589	2.6
249.16452	1.6
251.17990	2.6
253.19563	1.1
257.18991	3.6
265.19553	2.2
267.21054	1.2
275.20050	3.9
297.21979	1.1
307.20273	1.0
323.23621	1.9
325.25485	1.3
331.22632	1.4
335.23361	1.2
341.24786	1.3
349.24860	1.1
351.23050	1.5
363.26727	1.2
365.28439	1.9
369.27789	1.0
379.26071	1.6
391.29907	2.0
405.31970	1.1
407.29321	1.9
419.33310	1.0
435.32855	1.3
447.32507	2.6
476.21115	1.1
499.39288	3.0
517.40277	15.3
535.41547	8.8
539.36865	1.3
555.42145	1.6
573.42999	2.0
591.43945	15.9
609.26227	5.1
609.45032	100.0
610.45483	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93400	0.7
53.03930	2.0
55.01863	1.6
55.05504	17.1
56.48192	0.7
57.03428	5.5
57.07053	2.4
65.03924	1.7
67.05495	25.4
69.07059	14.3
71.04982	1.4
71.08638	1.0
71.26598	0.7
79.05484	17.6
81.07045	27.6
83.04966	1.1
83.08606	7.2
85.06519	1.3
91.05457	14.9
93.07031	17.2
95.04965	2.5
95.08591	23.0
97.06512	2.6
97.10148	4.5
98.96275	0.6
99.08086	0.7
103.05474	1.0
105.04568	0.6
105.07011	17.1
107.08579	11.5
109.06522	1.1
109.10142	10.2
111.08048	2.0
115.05436	1.1
117.06995	9.9
119.08570	14.9
121.10117	7.8
123.08024	0.9
123.11711	2.2
125.09605	1.3
127.16170	0.6
128.06183	3.8
129.06981	13.8
130.07762	1.3
131.08553	15.2
131.09557	0.8
133.10101	11.3
135.11668	4.9
137.13234	1.4
141.06979	6.3
142.07782	3.5
143.08543	16.1
143.09612	1.2
144.09300	1.2
145.08986	0.8
145.10101	14.2
147.11646	7.4
149.13246	2.5
153.06966	1.5
154.07777	2.5
155.08536	15.5
156.09303	1.9
157.10106	16.5
158.10779	0.8
159.11671	11.3
161.13213	4.3
163.11188	0.9
163.14803	0.7
165.07059	1.9
166.07797	0.7
167.08508	6.9
168.09309	2.3
169.10100	18.5
170.10907	1.7
171.11673	14.3
173.13231	6.1
175.14844	2.7
177.16333	0.7
179.08578	2.9
180.09286	1.6
181.10074	10.1
182.10889	1.6
183.11662	17.4
183.13310	0.9
185.13226	11.4
187.14789	3.3
189.16403	1.8
191.17978	1.0
193.10062	4.1
194.10873	0.7
195.11687	12.6
196.12503	1.5
197.13240	14.8
197.14919	1.2
199.13107	1.1
199.14795	7.2
201.16382	2.6
203.17931	1.1
205.10086	1.0
206.10899	1.0
207.11674	4.1
209.13232	8.5
210.13997	0.7
211.14767	8.3
213.16365	4.7
219.11710	1.9
221.13202	3.8
223.14799	7.3
223.16681	1.0
225.12817	1.0
225.16360	6.2
227.17978	4.5
229.19569	0.8
233.13211	1.1
235.14847	2.9
237.16360	4.8
239.18044	4.8
241.19563	2.5
247.14742	0.9
249.16377	2.8
251.17828	3.3
253.19623	1.6
255.21153	1.1
257.18967	1.0
263.17996	1.6
265.19547	2.4
267.21082	1.4
277.19403	1.2
279.20975	2.4
283.20529	1.1
291.21246	1.0
293.19016	1.0
293.22672	0.6
297.21997	0.8
299.20175	1.1
307.20163	0.8
309.22061	1.1
323.23523	1.5
327.22986	1.3
335.23581	1.4
337.25369	1.7
339.23038	1.1
349.25174	1.5
351.26794	2.6
355.26193	1.0
363.26904	1.6
365.24713	0.8
365.28647	1.6
367.25995	0.7
369.27863	0.8
377.28400	1.2
379.26059	0.9
379.30093	1.5
391.30054	1.7
393.31708	1.6
395.29468	0.9
403.30127	0.8
405.27094	0.9
407.29117	0.8
409.30991	1.2
421.31342	0.8
423.32883	0.7
447.32248	1.4
497.36856	0.7
499.39319	2.8
511.37918	0.8
517.40399	17.5
521.36560	0.7
535.41510	8.7
539.37390	1.6
553.42456	2.0
555.41974	0.8
573.42853	2.8
581.41040	0.8
591.44086	16.5
609.45050	100.0
610.45306	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01848	4.7
55.05502	12.1
57.03431	22.9
58.44367	1.1
61.02920	65.9
67.05497	21.3
69.03423	26.7
69.07045	5.2
70.06571	1.7
70.41898	5.4
71.01322	3.1
71.04987	7.0
73.02905	22.5
79.05019	1.2
79.05486	22.0
81.03410	71.4
81.06595	1.7
81.07048	22.3
83.01310	1.3
83.04970	16.4
83.08610	20.1
85.02895	88.1
85.06511	1.4
86.09679	2.4
87.04441	3.4
91.03944	37.3
91.05469	33.0
93.07029	15.8
95.04955	20.9
95.08599	8.2
97.02880	61.7
97.06506	3.7
97.10159	2.5
99.04462	10.8
101.02370	6.5
103.03909	6.5
105.04541	1.6
105.07020	20.8
107.04943	7.6
107.08573	4.6
109.02866	13.3
109.06508	6.3
109.10147	2.4
109.64358	1.0
110.35276	1.2
111.04412	5.2
111.08080	9.6
112.14037	1.6
113.06020	1.7
115.03918	4.8
115.05376	1.7
119.08580	17.0
121.06468	1.5
121.10143	7.7
123.08025	2.6
125.09575	2.1
127.03918	27.5
127.07524	1.6
129.05487	3.1
129.06993	11.9
131.08556	10.6
133.06464	3.1
133.10123	14.8
135.04477	1.1
135.11670	1.7
137.05809	1.4
137.09583	2.1
142.07709	2.4
145.04939	14.5
147.04454	1.2
147.08052	2.9
147.11673	16.4
148.83038	1.2
149.09615	6.0
157.10109	17.0
159.06561	2.6
163.05997	3.9
165.05382	1.2
165.12776	4.0
171.06580	1.7
175.11171	17.7
183.06487	7.3
193.12222	73.4
194.12621	1.4
201.07590	4.3
211.13272	100.0
229.14246	2.1
235.13361	2.2
249.14783	1.8
267.15881	26.5
277.14420	2.1
285.16943	87.3
286.17328	2.5
299.05643	1.6
301.14368	2.3
309.16937	4.4
313.07175	2.5
313.16473	5.1
327.05063	2.4
327.17715	1.5
337.16711	1.4
339.05264	2.1
351.18008	1.8
355.17685	1.6
356.31009	1.4
375.17953	2.6
391.89832	1.7
393.19006	4.9
411.20074	7.5
429.21033	13.1
447.22040	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82703	0.6
55.05510	1.1
67.05505	1.6
69.07072	0.9
69.55331	5.5
73.70448	0.6
74.07039	0.6
74.60186	0.6
77.89500	0.5
79.05479	1.7
81.07056	2.8
81.07487	0.5
83.08636	0.7
91.05453	1.7
93.07046	1.8
95.08604	1.3
98.98466	0.9
105.07011	1.9
107.08579	0.9
117.07002	1.3
119.08571	0.7
119.91672	0.6
129.07053	0.5
131.08611	1.3
133.10187	0.8
135.11745	0.8
143.08583	0.7
145.10144	1.3
155.08551	0.8
157.10193	1.0
159.11627	0.8
171.11679	0.7
173.13225	0.9
183.11768	0.9
185.77521	0.6
197.13429	0.6
197.15697	0.6
239.15544	0.7
265.80380	0.6
273.55026	0.6
326.12402	0.6
376.17102	0.7
377.17697	1.7
378.18768	0.9
389.18665	1.1
390.18558	1.7
391.19043	2.9
392.20227	1.5
401.17871	1.8
403.19836	1.4
404.20822	1.2
405.20941	4.0
406.21558	2.5
407.22211	3.6
413.17596	0.9
415.19031	1.9
418.21844	0.8
419.17816	1.0
419.22498	2.0
421.24005	4.2
422.24506	0.8
427.19012	0.9
428.19946	0.9
429.20862	2.6
430.21713	1.7
431.18155	0.9
432.19418	1.8
433.20276	2.1
437.34457	0.9
442.21463	0.9
444.23102	1.4
447.17581	2.8
449.23801	0.9
457.24020	1.4
459.21747	1.4
460.22784	1.8
461.19031	6.3
462.20547	2.6
463.20847	1.5
471.17722	0.8
473.19400	1.4
474.20648	1.4
475.21155	9.4
476.22021	7.4
477.22559	5.5
479.24298	0.9
485.23743	5.0
486.20822	2.6
487.21051	0.9
488.22153	1.5
489.22803	5.5
492.64954	0.7
493.22604	1.2
494.26706	0.7
499.21133	4.3
500.22137	1.3
503.24561	7.2
504.21848	0.8
505.22601	1.7
511.37576	2.9
513.22736	1.1
515.24469	6.0
517.21967	2.8
521.25458	2.4
531.23846	8.9
532.24615	0.7
535.22748	0.9
549.25110	2.5
550.25824	4.3
559.23224	5.0
563.26550	1.1
577.24512	1.7
591.25989	15.0
591.34625	1.3
592.25812	1.0
609.27020	100.0
610.27246	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2699
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
70.33744	1.5
75.85430	0.3
87.76225	0.3
98.21346	0.6
110.00223	0.4
124.29173	0.4
139.00999	0.4
162.40475	0.3
177.47684	0.4
196.69807	0.4
208.87451	0.3
211.12170	0.4
223.12215	0.4
224.13145	0.6
237.13901	0.7
239.15324	0.6
375.16949	0.4
376.17029	0.6
377.17700	0.7
389.18298	0.8
390.18622	1.0
391.19247	3.0
392.20001	2.0
393.20874	0.5
393.45062	0.4
400.16870	0.8
401.17654	1.4
402.18582	0.5
403.19571	1.1
404.20239	1.6
405.20911	3.5
406.21445	2.5
407.22147	3.8
413.17831	1.1
414.18451	1.0
415.19165	2.8
416.20044	0.9
417.21240	0.7
419.17868	0.6
419.22427	1.2
420.23239	1.3
421.23941	4.7
422.24545	1.0
427.19370	0.6
428.19955	0.6
429.20889	3.1
430.21918	1.9
431.18674	1.2
432.19724	1.1
433.15256	0.5
433.19882	2.1
433.24689	1.1
442.21652	0.9
443.22339	1.2
444.22949	1.6
445.20624	0.7
446.20795	1.1
447.17484	2.0
448.18207	0.6
449.23593	1.1
451.20844	0.5
452.22153	0.8
454.21899	0.4
457.24414	2.7
458.25208	0.5
459.21808	2.6
460.23361	1.9
461.19110	5.7
462.19943	2.3
463.20999	1.8
470.21210	0.7
471.22104	0.4
472.22702	1.8
473.19095	0.8
473.24472	0.5
474.20798	1.1
475.20840	8.0
476.21753	7.6
477.22327	5.1
478.23657	1.6
479.24460	0.9
485.23529	10.0
486.20087	3.9
487.20160	0.7
487.25772	1.0
487.92230	0.4
488.22092	1.2
489.22815	5.6
490.23233	0.7
493.22626	1.5
494.26855	1.1
497.23428	0.9
499.21140	2.5
500.22113	2.3
502.23618	1.1
503.24417	6.2
504.24704	1.5
505.22644	0.6
507.23901	0.8
513.22583	2.0
515.24542	8.1
517.22327	1.2
518.23169	0.9
521.25958	3.3
531.23871	16.1
532.24548	0.9
533.25061	0.7
535.23376	1.0
541.22394	1.1
548.24054	0.5
549.25073	2.6
550.25562	4.8
559.23322	7.9
560.23694	0.7
577.24408	1.1
591.25983	34.2
592.26563	2.5
609.27020	100.0
610.27209	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1804
Annotation	Swertiajaponin 4'-O-rhamnoside
Peak:m/z	Relative Intensity
53.03925	0.5
55.01814	0.5
55.05492	0.5
56.96562	0.4
57.03425	2.7
57.28220	0.4
67.79507	0.4
69.03415	0.9
70.06573	0.9
70.99057	0.6
70.99384	0.9
71.04980	12.0
72.92622	0.4
75.04462	2.0
79.05479	1.1
81.03394	1.3
81.07037	0.9
84.08125	0.5
85.02377	0.6
85.02893	12.1
86.09690	0.8
91.05488	0.5
91.23800	0.4
92.44650	0.4
93.03373	0.5
93.07006	0.7
95.04936	0.7
95.08591	0.5
97.06503	0.6
105.06997	0.5
107.04974	0.5
107.08549	0.5
109.02859	0.8
109.10140	0.6
111.04479	0.5
121.10145	0.6
125.02381	0.5
127.03861	0.6
129.05460	1.6
137.09517	0.5
149.02348	0.4
149.05936	0.7
151.03873	1.9
161.05838	0.5
165.01814	1.6
167.03407	1.4
173.32393	0.4
175.03842	1.0
175.60442	0.4
179.03383	0.6
183.02907	1.0
195.02814	2.0
243.06677	1.0
254.05615	0.6
258.05005	0.5
269.08014	0.5
271.05957	1.8
282.05209	3.5
284.06644	0.8
285.07489	1.3
286.04651	0.5
294.05118	0.7
297.07446	3.6
298.04733	4.8
299.05392	1.4
300.06244	5.8
301.06976	1.3
309.07553	1.0
310.04678	4.2
310.08044	0.8
312.03000	0.7
312.06183	3.6
313.07013	26.9
314.04349	0.7
314.07736	6.4
317.24649	0.5
322.04480	0.5
325.07013	4.5
327.04898	1.1
327.08493	6.3
328.05725	19.5
328.09625	1.0
329.06354	5.2
337.07016	4.8
338.07800	0.9
339.04929	0.5
339.08517	1.3
340.05780	0.9
341.06363	1.5
343.08066	100.0
344.08328	2.6
350.07895	0.5
353.06351	0.7
353.10114	2.5
355.08029	3.8
365.06506	1.5
367.08118	2.3
381.09509	2.3
383.07547	15.6
393.09570	1.6
399.10724	1.0
401.08606	2.5
409.09323	1.9
411.10309	1.2
427.10193	24.6
428.10553	1.2
429.11612	1.0
445.11258	18.2
446.11319	0.4
463.12347	17.3
468.69366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1806
Annotation	Cytisoside 7-O-glucoside
Peak:m/z	Relative Intensity
53.51375	0.4
57.03405	0.7
57.30897	0.5
61.02875	0.7
67.05464	0.6
68.99767	0.8
69.03422	13.4
69.03773	0.6
70.06547	0.6
71.06641	1.1
74.37419	0.5
81.03366	1.6
84.08114	0.5
85.02885	3.3
86.09676	0.6
89.05972	1.7
91.03890	0.7
93.06974	0.6
97.02820	1.3
107.04859	0.6
109.02832	1.0
111.04372	0.9
121.06570	0.6
125.05910	0.6
125.81557	0.5
127.03882	0.7
131.04886	0.5
133.08519	1.2
135.04391	1.1
137.02325	0.7
141.01768	0.7
145.04883	0.8
149.05904	1.8
151.03886	9.3
151.05040	1.1
161.05847	0.6
163.03874	0.9
165.01843	5.1
167.03299	1.5
175.03873	1.5
177.01816	0.6
183.02841	2.1
183.04326	0.6
191.03362	0.8
193.04909	1.1
195.02847	1.3
196.81618	0.5
199.03879	0.7
201.05400	1.1
217.04912	1.6
227.03366	0.6
243.06406	0.8
245.04425	1.2
257.04358	0.5
268.07327	0.6
270.05148	1.2
271.05884	1.4
272.06516	0.6
282.05151	2.1
284.06754	0.6
285.16779	0.8
286.04620	1.3
296.06763	8.4
297.07501	2.9
298.04709	9.5
299.05273	2.6
300.06311	4.1
301.07040	5.4
303.04855	1.3
306.09082	0.6
308.06799	0.9
309.07480	1.1
310.04785	3.6
311.05774	0.9
311.09061	5.6
312.06229	1.8
313.07019	41.9
314.07669	5.3
315.07809	0.8
322.08255	4.3
324.06265	15.6
325.07001	8.2
326.07776	1.5
327.04855	3.1
327.08621	4.9
328.05734	12.5
332.06824	0.8
334.08273	0.8
336.06268	3.1
336.09622	0.5
337.06992	1.3
337.10699	1.2
338.07660	1.2
339.05057	1.0
339.08585	18.0
340.09000	0.6
341.10123	3.1
343.08072	63.2
344.08472	0.8
349.10684	1.9
350.07819	12.7
351.08606	6.0
352.05865	1.4
353.06476	1.1
355.07996	1.2
355.12000	0.8
360.06244	1.2
365.10178	12.4
367.08084	55.8
368.08569	1.4
369.09711	2.6
375.08548	1.7
378.07358	10.8
379.08124	1.0
383.11539	1.2
393.09637	43.5
394.09781	0.6
411.10690	100.0
412.11108	2.6
429.11746	32.6
430.12006	0.7
447.12814	16.7
448.12939	0.6
505.13419	2.7
514.84393	0.5
529.13495	1.2
573.15839	6.0
591.16846	3.6
609.18103	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1807
Annotation	Swertiajaponin 4'-O-rhamnoside
Peak:m/z	Relative Intensity
53.03924	1.1
55.01879	1.3
55.05497	1.5
57.03423	7.2
61.02920	1.3
62.68236	0.9
69.03421	1.8
69.07030	1.0
69.60018	7.5
69.87341	0.8
70.06557	1.3
71.04983	34.1
71.05374	2.0
73.02904	2.0
75.04474	1.7
76.17451	0.7
81.03400	9.2
81.07037	1.4
83.04945	1.0
83.08602	2.0
84.08141	0.9
85.02892	38.8
86.09703	1.1
87.04474	1.1
91.03945	1.6
91.05466	1.9
93.07053	1.2
95.04959	2.7
97.02883	3.1
98.20644	0.8
103.03938	1.1
109.02857	2.0
111.04470	1.6
121.06532	1.0
127.03889	2.9
129.05458	5.5
131.08566	1.0
147.07983	0.8
149.02257	0.8
149.05992	1.1
151.03854	4.3
157.10184	1.1
163.05974	1.0
165.01828	5.3
167.03410	1.7
170.07043	0.7
175.03973	1.6
175.11186	1.1
182.58774	0.9
183.02901	3.3
193.12183	6.1
195.02841	1.4
198.82973	0.9
211.13339	1.4
243.06413	0.8
267.15820	4.1
270.05438	1.5
271.06021	1.5
282.05261	3.7
285.16937	4.4
286.04715	2.2
288.93665	0.8
296.06735	6.3
297.07690	4.6
298.04709	14.8
298.08017	1.4
299.05457	1.7
300.06302	5.8
301.07108	7.2
303.04999	1.7
309.16870	3.5
310.04691	5.5
310.08386	3.4
311.08966	4.0
312.06165	1.6
313.07025	94.6
314.07700	6.7
320.06592	1.0
324.06219	11.0
325.07007	7.8
325.10516	1.7
327.05197	1.8
327.08539	1.8
328.05740	18.2
335.09286	1.1
336.06195	2.6
337.06860	1.4
338.07849	7.0
339.04767	1.4
339.08554	17.9
341.06567	0.9
343.08075	100.0
344.08456	2.7
348.06290	1.7
351.08652	2.6
353.06268	1.7
353.10138	14.6
363.08643	2.4
364.05649	1.6
365.05853	1.1
366.07187	1.3
367.08105	50.9
368.08633	1.4
376.05777	1.3
379.08063	12.5
379.12573	1.4
381.09467	2.2
391.08072	8.4
393.09799	1.2
394.06985	1.3
397.09149	34.6
409.09085	22.5
410.09424	1.0
411.10797	2.6
411.19614	1.0
427.10162	28.9
429.20981	0.9
445.11243	51.9
446.11075	1.8
463.12323	46.3
529.13928	1.0
591.17023	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1801
Annotation	Swertiajaponin 4'-O-rhamnoside
Peak:m/z	Relative Intensity
57.03423	6.4
70.09174	7.4
70.09554	2.6
71.04980	32.0
73.02895	2.6
83.04973	2.4
85.02892	36.7
118.39466	1.4
129.05499	7.7
137.02299	1.5
141.01703	1.3
151.03877	5.9
165.01799	12.7
183.02847	4.7
270.05185	2.7
271.05878	2.3
282.05090	3.1
284.06836	1.7
286.04709	4.5
294.05225	5.0
295.05920	1.3
296.06815	7.0
297.07510	3.0
298.04669	22.5
299.05563	11.7
300.06284	3.8
301.07031	13.7
305.08914	1.3
309.07349	1.5
310.04617	6.7
310.08087	3.4
311.05630	2.3
311.08948	6.9
312.06195	10.3
313.06989	100.0
314.07666	5.9
315.04996	6.4
322.04666	4.0
323.05328	1.9
324.06335	10.7
325.06985	16.4
326.04050	1.4
327.04987	2.0
327.08508	17.6
328.05701	7.1
329.06546	2.8
337.06964	14.9
338.04089	2.9
338.07764	12.8
339.04889	2.4
339.08566	25.7
341.06525	7.4
341.10022	2.5
342.07114	1.4
343.08063	27.3
348.06131	2.6
351.08389	2.1
352.05847	1.5
353.06375	4.9
353.10181	17.0
355.08041	3.2
363.08569	5.4
365.06494	5.6
366.07333	3.9
367.08139	13.4
379.08160	3.5
381.09619	24.8
383.07428	7.5
391.08017	4.5
394.06845	3.6
395.07648	9.0
399.10565	4.8
409.09140	50.8
413.08511	4.8
427.10168	99.9
428.10312	1.6
431.09381	1.9
445.11230	89.4
446.11520	2.3
463.12354	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1805
Annotation	Swertiajaponin 4'-O-rhamnoside
Peak:m/z	Relative Intensity
57.03439	4.2
63.89823	0.8
67.15705	0.8
68.11529	0.9
69.34681	0.8
69.64718	7.6
71.04983	30.0
85.02896	31.5
94.70522	0.9
105.07005	0.9
109.17371	0.8
111.04315	0.9
128.45848	1.0
129.05455	4.3
149.05936	1.5
151.03888	3.4
152.59164	1.0
165.01816	9.3
167.03383	1.0
183.02942	2.5
191.03267	1.0
259.05887	1.0
261.03583	0.9
270.05176	2.2
282.05215	2.4
284.06696	1.8
284.29190	1.0
286.04715	3.8
294.05441	1.0
295.05917	1.0
296.06781	3.9
297.07581	1.5
298.04688	16.9
299.05493	1.1
300.06223	2.3
301.07016	14.2
309.07458	2.1
310.04639	5.1
310.08310	5.5
311.09097	4.9
312.02966	1.4
312.06058	5.4
313.07031	100.0
314.07663	4.7
320.06775	1.8
322.04794	1.8
324.06314	5.6
325.06992	9.7
326.04160	1.1
327.04901	1.9
327.08517	12.4
328.05719	6.4
329.06464	4.1
335.09277	1.2
337.06924	8.1
338.04123	1.5
338.07745	10.4
339.04861	1.1
339.08603	13.6
341.06448	7.6
341.10193	1.7
343.08078	30.2
348.06281	2.0
352.05753	1.6
353.06345	7.8
353.10156	28.6
355.08102	4.0
363.08530	3.5
365.06189	1.7
366.07407	3.5
367.08008	9.7
373.85410	0.9
381.09665	25.8
383.07645	4.5
391.07971	3.4
394.06787	4.0
399.10712	3.7
409.09128	66.4
427.10193	98.3
428.10406	2.0
445.11240	64.7
463.05783	1.9
463.12268	27.6
544.29944	0.9
555.58215	0.9
616.58063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.8
51.89351	0.8
53.03933	3.5
55.01855	3.0
55.05500	12.7
57.03432	3.3
57.07074	6.2
59.04990	3.5
64.74738	1.0
67.05495	20.8
69.03432	5.4
69.07059	42.6
69.92226	5.6
70.06596	1.1
71.04986	5.1
71.08620	3.5
79.05476	14.4
79.25162	1.0
81.03403	8.6
81.07045	50.0
83.04977	2.8
83.08608	19.8
85.02903	5.1
85.06535	3.2
85.10176	1.1
87.00814	1.3
87.04441	1.9
91.05472	17.4
91.91191	0.9
93.07032	100.0
94.07362	1.1
95.01274	1.2
95.04385	2.0
95.04960	24.5
95.08594	43.7
97.02884	4.3
97.06517	27.8
97.10158	7.5
99.04413	1.9
99.08076	1.4
105.01858	1.7
105.07008	15.8
107.04959	2.1
107.08572	22.8
109.02844	2.8
109.06490	5.4
109.10145	30.8
111.08060	12.6
111.11723	3.4
113.06071	1.0
113.09645	1.1
115.03912	1.3
115.07570	1.3
117.07000	2.3
119.08575	16.4
121.06506	2.5
121.10128	27.7
123.00761	1.7
123.08054	3.9
123.11694	18.4
125.02354	1.5
125.09616	4.4
127.03900	4.0
127.07541	1.4
129.06993	1.4
129.09068	1.1
131.08533	5.0
133.10114	7.0
135.08023	2.3
135.11676	12.4
137.09628	2.7
137.13240	6.0
139.11151	4.4
143.08566	1.8
145.10074	6.8
147.08000	1.3
147.11684	7.5
149.09595	2.8
149.13246	18.3
151.11122	2.9
153.12730	1.2
155.10562	0.8
159.11665	6.8
161.13211	6.3
163.11185	3.9
163.14810	4.6
165.09119	2.4
165.12758	1.5
167.10641	2.1
167.14362	4.5
167.53288	0.9
169.01323	1.1
173.13263	2.3
175.14832	2.4
177.05527	1.6
177.12785	1.0
177.16364	4.0
185.15331	5.2
187.14836	3.1
189.09158	1.6
189.16388	2.8
191.17908	1.3
195.13777	1.8
195.17432	1.7
197.19051	1.8
199.07436	1.7
201.11217	1.3
201.16309	2.3
203.18089	1.0
205.19586	1.3
209.18968	3.7
213.09183	1.0
215.07082	1.3
215.17955	3.1
217.19553	1.2
219.21028	1.5
229.14317	1.9
231.21121	3.6
241.08524	2.6
241.12437	1.1
245.22641	2.4
261.25601	2.2
271.24152	13.4
277.25174	1.7
285.14691	1.0
289.25223	25.6
295.26291	10.3
307.26273	73.4
308.26666	3.3
311.12811	2.7
313.14496	1.1
325.27332	36.7
326.27863	1.3
337.14194	2.3
341.92923	1.2
355.15298	6.0
387.18140	1.3
411.23758	5.2
415.28296	1.5
437.49170	1.3
447.23416	1.9
467.20523	1.0
546.62012	1.1
609.28839	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
54.69211	1.1
55.01857	2.7
55.05278	1.0
55.05508	12.1
57.03423	2.8
57.07067	7.5
59.04984	2.8
67.05496	17.0
69.03407	5.8
69.07060	45.8
70.06547	1.1
71.04967	3.3
71.08609	3.6
71.74030	0.9
73.06506	1.1
79.05485	13.7
81.03412	5.2
81.07044	45.2
83.04971	3.6
83.08611	25.9
83.50591	1.1
85.02890	5.4
85.06519	4.0
87.00816	2.2
87.04468	2.5
91.05465	16.1
93.07032	100.0
94.07352	1.8
95.01308	1.4
95.04389	1.7
95.04955	21.8
95.08596	44.0
97.02871	5.1
97.06522	33.3
97.10164	7.3
99.04442	1.7
99.08079	2.4
105.01862	2.9
105.07002	13.2
107.04971	1.3
107.08574	23.8
109.02853	2.7
109.06545	5.3
109.07166	1.2
109.10143	24.9
110.54551	1.3
111.08072	13.9
111.11700	4.2
117.06988	3.1
119.08578	12.0
121.06499	2.4
121.10129	32.2
123.00781	2.5
123.08011	3.3
123.11693	17.1
125.02345	1.4
125.09601	4.0
127.03893	3.8
129.06998	1.4
131.08553	4.1
133.10109	7.9
135.08035	2.5
135.11659	10.6
137.09587	1.9
137.13261	6.1
139.07526	1.4
139.11124	5.1
145.10146	6.3
146.10904	1.3
147.11668	7.3
149.09605	3.4
149.13240	15.8
151.11185	2.9
151.14793	2.6
157.10103	1.1
159.02847	1.1
159.11674	7.8
161.05998	1.4
161.13217	7.4
163.03917	1.2
163.11139	4.1
163.14778	3.2
165.12808	1.8
167.10669	2.9
167.14276	5.4
169.01338	1.8
173.13261	2.0
175.14812	4.5
177.05493	1.4
177.12672	1.4
177.16374	2.3
179.17877	1.6
185.15393	6.0
187.07524	2.1
187.14818	2.1
189.05569	1.3
189.09038	1.8
189.16374	1.9
191.07069	1.2
191.17943	2.3
195.17513	1.8
197.18990	1.2
199.07487	3.0
201.16351	1.6
205.19492	1.2
209.18933	2.8
213.25656	1.0
215.17987	3.0
229.19437	1.2
231.21129	2.3
241.08514	4.3
241.12202	1.9
245.22659	2.1
259.09711	1.8
261.25613	2.1
271.24185	14.0
277.25296	2.4
285.14713	1.8
289.22247	1.7
289.25256	21.7
295.26273	12.6
296.09949	1.2
304.50760	1.1
307.26285	75.6
309.14893	1.3
311.12827	3.0
311.16302	2.4
325.27335	35.5
337.14194	3.5
355.15314	5.6
357.16821	1.6
387.18018	2.2
421.54874	1.0
519.29199	1.5
609.27844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2903
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
71.23801	0.8
73.95934	0.4
116.93723	0.4
373.14331	0.4
387.15927	0.7
388.16843	0.6
389.17508	1.3
401.17615	1.0
402.18411	1.3
403.19174	4.4
404.19788	1.3
405.20697	1.6
415.19250	1.0
416.19931	1.3
417.16504	1.3
417.21536	3.3
418.21701	3.5
419.22491	3.8
430.17798	1.3
431.18149	10.0
432.18631	2.9
433.18970	0.7
433.23987	12.8
434.24640	2.2
444.18735	0.9
445.19745	10.8
446.20618	5.1
447.21582	3.8
459.21405	5.9
460.22449	19.2
461.23276	21.0
462.24014	1.1
473.23477	5.2
474.23923	1.4
477.22791	0.9
487.24838	2.5
488.25403	1.1
491.24860	0.9
492.25214	1.0
504.25635	0.7
505.21484	3.0
506.26715	0.9
515.24561	1.0
519.27490	2.5
532.24481	1.5
547.26978	61.7
548.27142	3.3
575.26831	1.0
579.29669	1.2
607.29059	100.0
608.29321	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2907
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
52.17342	0.1
60.15336	0.1
66.81238	0.1
71.07140	0.1
71.70994	0.2
104.89503	0.1
126.01044	0.1
164.18088	0.1
202.71729	0.1
207.09198	0.1
209.10716	0.1
211.12126	0.1
221.10591	0.1
223.12360	0.2
235.12421	0.2
253.33858	0.1
254.08369	0.1
286.13260	0.2
308.11975	0.1
311.13974	0.1
373.14429	0.2
374.15784	0.2
375.16418	0.2
376.17493	0.2
377.18024	0.1
387.16104	0.4
388.16956	0.4
389.17642	1.2
390.18820	0.3
391.19431	0.2
399.16641	0.1
401.17953	0.7
402.18344	1.2
403.19162	2.9
404.19855	1.2
405.20761	1.6
406.21277	0.1
415.19772	0.7
416.15796	0.4
416.20654	1.1
417.21335	3.7
418.21692	2.1
419.22354	3.5
420.23303	0.1
429.20901	0.5
430.17786	1.0
430.22095	0.6
431.18005	6.4
431.23218	0.9
432.18527	1.7
432.23950	0.5
433.23996	4.7
434.24704	0.7
443.18509	0.3
444.18512	0.8
445.19757	8.0
446.20605	3.5
447.21671	2.4
449.23349	0.2
457.20190	0.2
458.20889	0.2
459.21457	2.7
460.22479	4.3
461.23257	3.6
461.29221	0.2
462.20425	0.4
463.21051	0.2
472.22775	0.2
473.23727	1.3
474.23972	0.4
475.21323	0.3
476.22192	0.2
477.22784	0.3
487.24927	0.4
489.22818	0.4
491.24628	0.4
492.24857	0.2
505.22662	0.6
517.22314	0.2
519.22668	0.6
532.24554	0.3
533.25476	0.2
547.26941	7.5
548.27484	0.7
575.26727	0.3
607.29047	100.0
608.29413	5.1
608.39526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.254
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
55.01860	1.2
55.05497	2.0
57.07055	2.1
57.73471	0.7
67.05472	3.6
69.07053	1.7
69.69311	4.8
71.08618	1.4
79.05472	2.4
81.07043	4.5
85.10152	1.3
91.05462	3.0
93.07019	3.2
95.08586	2.5
97.06446	0.7
105.07023	3.3
109.10125	1.3
116.50655	0.8
119.08553	1.1
131.08624	1.5
133.06458	0.7
133.10048	1.4
151.11148	1.0
207.09256	0.9
207.11201	0.7
275.19983	1.3
276.20273	0.7
277.21518	1.2
311.73529	0.7
313.27335	1.5
351.25293	0.9
375.15878	1.6
389.17535	4.3
390.18463	2.1
391.19666	1.0
401.18015	1.6
402.14285	1.2
402.18808	1.4
403.14890	1.3
403.19293	7.2
404.20013	3.3
405.20779	3.2
415.19556	0.9
416.16187	2.0
417.16165	6.9
417.21060	3.6
418.17096	1.4
418.21738	2.1
419.22275	9.0
429.20947	0.9
430.17401	1.2
431.18115	9.9
432.19107	3.8
433.20074	3.6
444.19708	1.0
445.20102	9.2
446.21188	7.5
447.21625	12.7
459.17953	3.0
459.22675	2.1
460.18893	1.0
461.19724	1.8
463.25076	1.5
473.19785	2.3
474.20395	10.9
475.21234	12.5
487.21072	2.1
488.21786	1.2
490.23914	1.5
491.25183	1.2
501.22641	2.0
519.23950	13.7
529.22272	1.0
532.20990	1.0
547.23315	70.8
548.23676	2.9
561.25378	1.0
579.26056	3.7
589.23938	0.8
589.47870	0.9
607.25421	100.0
608.25244	3.1
624.70703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2541
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
53.02604	0.2
67.05489	0.3
69.07071	0.2
69.41955	2.1
75.28959	0.2
78.60608	0.2
81.07047	0.2
93.07024	0.2
95.08528	0.2
120.08042	0.2
194.08186	0.3
195.09064	0.3
196.09915	0.2
204.06554	0.2
207.09225	0.3
209.10849	0.3
215.46475	0.2
219.08900	0.2
221.10692	0.4
223.12309	0.3
235.12346	0.2
237.10234	0.2
237.13701	0.2
286.13593	0.2
310.13394	0.4
312.15195	0.3
324.14899	0.2
340.14377	0.2
352.14618	0.2
354.16003	0.2
372.15695	0.2
373.14136	0.2
374.15732	0.5
375.16171	0.8
376.17178	0.3
377.17453	0.2
387.16125	0.5
388.16965	0.8
389.17657	2.3
390.18564	1.1
391.19217	1.0
401.17731	0.7
402.14005	0.4
402.18890	1.1
403.15271	0.8
403.19537	4.0
404.16150	0.2
404.20038	2.1
405.20810	3.4
407.22275	0.3
415.14981	0.4
416.15424	1.0
416.20776	0.4
417.16089	3.6
417.21088	1.9
418.17609	0.9
418.22638	1.1
419.22452	6.3
420.23068	1.1
429.16165	0.2
429.21265	0.4
430.17068	1.2
431.18204	7.9
432.19104	3.2
433.19989	3.5
434.20630	0.4
435.21884	0.3
444.19769	0.3
445.20105	5.0
446.20917	8.9
447.21631	8.2
447.27252	0.2
448.22272	0.8
457.20316	0.3
459.17059	0.6
459.21805	1.8
460.18893	0.8
461.19568	2.0
462.24185	0.8
463.25119	0.7
473.19168	0.8
473.23752	0.8
474.20389	5.6
475.21030	4.8
476.21866	0.8
477.22818	0.8
478.23242	1.0
487.21072	1.5
488.22266	0.4
490.23611	0.4
491.20059	2.9
492.21387	0.3
501.22986	1.3
503.24527	0.4
504.21375	0.4
505.22430	0.8
506.22870	0.3
518.23297	0.3
519.23962	17.9
520.24115	0.9
529.22223	0.4
532.21118	0.3
533.22540	0.2
547.23334	12.9
548.23822	0.7
551.26691	0.4
561.25146	0.4
579.25916	5.7
589.24225	0.3
607.25421	100.0
608.25824	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61775	0.5
59.37876	0.5
67.05481	0.7
70.34912	1.8
71.08590	0.9
81.07068	0.6
92.26628	0.4
105.07021	0.5
107.08561	0.6
112.03471	0.6
287.36069	0.5
321.93246	0.6
399.16269	0.7
400.16852	0.7
401.17773	1.8
402.18570	0.5
403.19000	0.6
405.61649	0.6
413.17612	1.0
414.18488	2.0
415.19318	6.0
416.19775	2.5
417.20981	0.8
426.19873	0.6
427.19525	1.2
428.19705	1.6
429.20825	10.8
430.21436	5.6
431.22318	1.4
442.21631	0.7
443.22601	6.1
444.23447	8.3
445.24316	4.2
457.20117	2.3
457.25232	0.8
458.25467	3.1
459.21390	2.9
459.25836	3.3
470.20987	1.2
471.21799	1.2
472.22540	4.5
473.23691	5.8
474.24420	2.8
485.23343	4.6
486.24060	2.2
487.24948	25.1
488.25421	2.0
489.22809	0.8
503.24170	2.5
513.22614	0.8
517.26489	2.8
518.23279	1.0
529.24902	0.7
531.24121	1.3
545.25403	17.8
546.26233	3.9
573.24396	1.3
577.28369	0.7
605.27502	100.0
606.28168	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65700	0.3
55.01875	0.6
57.03428	1.8
69.03407	0.5
69.53177	3.4
70.06570	0.5
71.04605	0.6
71.04986	11.6
73.02911	0.5
81.03393	0.8
81.07044	0.6
83.04970	0.6
85.02896	12.0
87.04450	0.4
88.77602	0.4
89.03912	0.4
91.05479	0.3
93.06992	0.5
95.08612	0.5
97.06496	0.6
98.21393	0.6
102.51620	0.3
105.98085	0.3
111.04408	0.4
119.08537	0.5
121.10210	0.5
123.00819	0.5
123.04428	0.7
126.03892	0.4
129.05487	2.3
137.02306	0.4
141.01820	1.3
149.05937	2.0
151.03928	2.8
155.11758	0.5
157.10147	0.4
163.00272	0.5
165.01814	9.3
166.20137	0.4
175.03815	0.4
183.02888	7.3
190.99535	0.4
193.01350	0.6
203.03423	0.4
209.00760	0.8
215.06924	0.4
254.67490	0.4
270.05197	4.0
282.05231	0.7
284.06888	0.9
285.07681	0.4
286.04797	0.5
296.03546	0.7
296.06778	1.3
298.04691	27.9
299.04977	0.5
301.06943	0.8
308.06720	0.6
310.04657	1.5
311.05496	2.1
312.03064	0.5
312.06216	2.1
313.07034	100.0
314.07355	2.2
324.02710	0.7
324.06161	2.7
325.07016	1.6
326.04190	11.2
326.07791	1.4
327.04855	1.8
327.08591	5.2
328.05722	1.2
329.06494	0.6
336.06183	1.2
338.04218	0.5
339.04883	2.6
339.08643	3.7
340.05679	1.1
341.06528	65.0
341.09949	2.2
342.06985	0.9
343.08130	2.1
344.76202	0.4
351.08578	2.8
353.06500	1.0
355.08066	1.0
367.04382	4.3
367.08163	3.1
369.06064	0.6
369.09665	2.8
379.07986	1.1
385.05359	0.9
387.07062	18.4
395.07700	2.5
397.09045	2.0
413.08640	1.6
415.05719	0.7
415.10278	1.4
423.07062	1.4
441.08124	35.4
442.08078	0.5
459.09213	10.1
487.12186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.0
57.07015	0.2
60.04519	0.2
61.98195	0.2
62.06085	0.3
63.55495	0.2
67.05504	1.6
69.03410	0.9
69.07047	1.1
70.06579	0.3
70.99530	0.5
71.04970	0.3
71.08632	4.9
72.08139	1.1
79.05479	0.9
81.03414	0.6
81.07044	3.7
83.04950	0.3
83.08622	0.5
84.08128	1.0
85.02884	1.0
85.06531	0.4
86.05542	0.2
86.06059	4.0
89.45870	0.2
91.05457	1.1
93.07036	0.9
95.04955	0.5
95.08604	1.6
96.08131	2.6
97.02876	0.6
97.06497	0.8
98.06031	0.8
98.09689	2.7
99.08084	2.4
105.07004	0.9
107.08573	1.0
108.08120	1.3
109.02843	0.3
109.08933	0.3
109.10141	0.9
110.09702	0.5
111.08038	0.3
113.08352	0.3
114.09161	0.5
116.10718	16.8
117.06953	0.3
119.08567	0.9
121.10116	0.8
121.91289	0.3
122.09669	1.5
123.11678	0.5
124.07573	0.7
126.09126	0.5
129.19936	0.2
131.08586	0.4
133.10106	0.4
135.10445	0.3
135.11684	0.4
136.11212	0.5
140.10658	0.8
143.10634	2.2
147.11690	1.7
149.13284	0.2
150.12680	0.3
152.14264	0.4
154.15872	2.2
157.10060	0.4
160.77776	0.2
161.13301	0.3
164.14326	0.6
165.12764	0.5
166.15909	2.1
168.17467	0.8
170.15382	0.4
175.11179	0.4
178.15869	0.9
180.36400	0.3
190.95868	0.3
193.12183	0.3
196.16965	7.0
214.17996	100.0
215.16573	0.2
215.18239	1.5
229.14281	0.8
255.15804	0.4
273.17065	0.3
282.24292	0.6
284.22113	0.3
285.21997	0.2
303.23163	1.1
308.21948	0.4
321.24142	0.4
326.23239	0.7
344.24280	7.7
376.23218	1.4
409.19223	0.3
424.30597	0.4
442.31622	10.1
506.29672	1.8
604.37134	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	5.5
58.06593	2.1
64.49721	0.6
65.03962	1.2
67.05473	0.6
69.07047	1.2
70.06581	21.7
70.53137	1.4
70.53532	1.1
71.08614	3.5
72.83595	0.6
79.05473	1.0
81.07080	1.2
88.07619	23.8
88.08173	1.1
91.05460	1.1
93.07033	1.0
97.06554	0.7
102.09171	14.0
105.03429	0.9
108.86278	0.6
109.10155	0.8
119.08543	0.7
134.02983	0.6
137.07343	0.5
147.04361	1.0
149.02322	40.6
174.61533	0.7
177.05533	1.2
186.18959	0.6
191.07033	0.7
193.04945	52.9
194.05261	0.6
200.20076	57.1
201.20389	0.7
210.18533	0.9
212.16516	1.8
212.18375	0.7
219.06442	1.4
225.05505	1.1
236.16487	0.8
237.07559	13.9
244.22699	1.1
254.17593	1.1
269.04382	1.4
272.18524	4.2
297.03842	3.0
313.07138	3.3
341.06470	12.2
343.08167	0.8
359.07498	6.0
385.09146	20.7
385.13843	1.3
429.11768	32.7
430.12277	0.8
434.24066	0.7
469.44492	0.7
584.28741	1.5
602.29529	100.0
603.30017	1.9
620.75397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35404	2.3
51.59077	2.4
52.86119	2.5
53.03928	5.5
53.31953	2.6
55.01874	3.5
55.05507	29.7
57.03418	4.0
57.07074	21.3
59.04996	5.2
65.03942	5.0
67.05495	44.7
69.03418	18.0
69.07059	28.7
70.42212	2.7
70.42555	11.5
71.04971	4.1
71.08624	6.2
79.05482	41.3
81.03423	25.4
81.07045	49.6
83.04974	19.8
83.08609	19.7
85.06532	6.1
85.10162	4.6
87.04459	6.5
89.06026	16.4
91.05470	62.9
93.07030	77.0
94.07381	3.4
95.04971	29.0
95.08598	46.4
97.06527	14.7
97.10179	2.8
99.08053	5.6
103.05466	5.2
105.07021	97.3
106.07348	3.5
107.04970	4.3
107.08578	80.1
109.06527	20.1
109.10145	35.5
111.08103	5.4
113.09597	6.8
115.05456	11.9
116.06237	2.8
117.06989	21.1
119.05993	2.7
119.08569	100.0
121.06490	8.4
121.10133	85.4
123.08044	21.3
123.11704	11.6
124.08471	3.6
125.05914	4.1
125.09618	16.0
128.06203	12.0
129.06982	23.8
130.07834	6.2
131.04884	2.8
131.08542	42.0
133.06491	4.9
133.08580	7.2
133.09068	2.9
133.10121	63.8
135.08054	21.8
135.11673	21.5
137.09637	9.6
139.11189	8.5
141.07004	8.6
142.07765	24.4
143.08553	42.1
144.09280	11.9
145.06451	6.8
145.10109	67.9
147.04597	2.5
147.08057	14.3
147.11681	23.8
149.09615	20.9
149.13307	3.2
151.07506	6.6
151.11147	5.7
153.07001	6.0
154.07693	3.2
155.08571	19.6
155.10620	4.7
156.09335	15.9
157.10132	61.4
158.10826	8.5
159.08047	20.6
159.11690	40.7
160.05165	5.4
161.05969	7.1
161.09578	14.4
161.13229	8.3
163.11171	10.8
165.06981	8.4
165.09096	10.2
166.07835	3.4
167.08556	7.4
167.10681	61.5
168.09358	6.2
169.10123	27.2
170.10863	5.6
171.11696	31.2
172.12360	3.6
173.05917	4.9
173.09634	10.6
173.13228	23.4
175.11214	12.7
175.14810	19.2
177.11301	3.1
177.12712	3.8
179.08545	12.5
180.09323	2.9
181.10130	17.1
181.12244	4.4
182.10849	13.9
183.11690	27.5
184.12419	4.4
185.09569	4.1
185.13226	18.6
187.11147	4.9
187.14830	12.5
189.12744	7.1
191.14299	4.8
192.09259	4.3
193.10135	17.7
193.11723	3.0
194.10887	9.1
195.11641	21.3
196.12445	11.3
197.13257	21.5
198.13860	4.3
199.11148	5.2
199.14806	16.0
201.12646	5.3
201.16359	7.2
202.55603	3.0
203.08633	3.1
203.10715	3.8
203.14310	8.4
205.10222	4.1
206.10876	4.6
207.11676	15.9
207.13617	5.2
208.12444	9.9
209.13231	23.7
210.13760	6.8
210.89612	2.7
211.11183	6.7
211.14790	12.1
212.15570	3.1
213.16341	3.4
215.14247	7.3
217.15871	4.0
219.11668	8.0
220.12370	6.4
221.13315	9.8
221.15405	23.1
222.13889	5.7
223.14786	13.7
225.12775	6.9
225.16412	8.7
227.14325	6.4
233.13174	6.5
233.15387	28.5
234.16008	2.9
235.14798	11.5
237.16338	6.4
239.14650	3.1
239.17924	5.8
243.11688	3.8
243.13930	3.4
245.13275	7.4
246.13902	3.6
247.14732	6.7
249.16415	7.2
251.17932	7.2
253.15865	5.1
255.17429	4.8
257.18814	3.7
259.20050	2.9
260.15518	4.4
261.16385	7.8
263.17877	6.7
265.19397	7.8
267.17215	2.9
269.19052	7.6
271.13156	3.8
273.18832	3.4
275.17752	5.4
281.18820	5.3
285.18533	5.9
287.20361	3.9
291.21014	2.9
295.20438	3.2
299.20041	6.0
313.27350	10.9
327.33871	2.7
345.16690	4.7
349.25262	3.9
361.25095	4.0
367.25946	3.9
433.31451	2.9
444.63467	2.8
565.40314	6.5
583.41583	15.8
601.41534	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
53.28731	0.8
55.05488	3.0
57.03442	0.9
57.07079	5.0
59.04991	1.7
67.05508	6.2
69.03411	3.1
69.07048	3.7
70.70839	2.6
71.08649	1.0
72.67379	0.9
77.03922	0.8
77.76343	0.8
79.05466	7.7
81.03374	1.2
81.07048	11.6
83.04953	1.8
83.08591	1.2
85.06514	1.7
91.05470	12.4
93.06491	1.6
93.07034	19.3
94.07390	1.0
95.04982	4.6
95.08591	11.2
97.06513	2.0
98.21460	0.9
103.05421	1.4
104.06297	1.1
105.07013	19.4
106.07301	1.0
107.04917	1.0
107.08577	12.1
109.06510	4.4
109.10141	4.0
111.08028	1.8
115.05444	1.4
115.70907	1.0
117.07016	5.6
119.08569	20.7
120.08896	2.4
120.40163	0.9
121.06487	2.8
121.10129	12.3
122.10420	1.0
123.08049	9.6
123.11668	1.7
124.08406	0.8
125.05939	1.1
128.06212	1.4
129.07001	4.7
130.07759	2.2
131.08554	8.0
133.06435	1.3
133.10104	10.8
135.08003	6.4
135.11708	5.4
137.09621	6.9
139.11252	1.0
141.06996	1.9
142.07782	2.6
143.08585	8.6
144.09328	1.5
145.10118	16.6
146.10446	1.4
147.08023	9.7
147.11659	3.8
149.09607	2.4
151.07555	7.0
155.08505	2.8
156.09320	2.8
157.10103	10.8
158.10591	1.7
159.08061	2.0
159.11687	9.2
160.12096	1.3
161.09590	2.8
161.13226	3.2
163.11168	5.2
164.11598	1.2
165.06998	1.0
165.09096	24.2
166.09436	1.9
167.08498	1.3
168.09267	1.6
169.10114	4.9
170.10876	1.9
171.11600	5.5
173.09665	1.7
173.13213	5.5
175.11206	2.5
175.14822	3.2
176.11487	1.1
177.09058	1.1
177.12769	1.2
179.08559	1.6
179.10716	1.1
181.10152	3.8
181.12202	10.4
182.10953	1.4
182.12550	1.4
183.11642	6.7
185.09621	1.1
185.13206	4.0
187.14839	4.0
189.12744	2.5
190.13507	1.1
191.14259	2.2
192.09425	1.3
193.10185	1.7
195.11703	4.1
195.13748	1.4
196.12367	1.2
197.13255	4.7
199.11116	1.3
199.14777	1.8
199.98596	0.9
201.12679	1.3
201.16397	1.6
203.14287	9.8
204.14784	1.1
206.10919	1.2
207.11818	1.7
207.13806	4.8
208.14493	2.1
209.13214	3.9
209.15244	3.4
211.14822	3.6
213.12677	1.0
213.16167	1.2
215.14308	1.1
219.13766	1.2
221.15329	100.0
222.15665	12.8
223.14700	2.3
225.12776	1.2
227.14323	1.2
233.13203	1.2
233.15434	1.3
234.16180	4.1
235.14482	1.1
235.16570	2.9
237.16423	1.8
245.13170	1.0
247.16940	7.0
248.17409	5.2
251.18027	1.0
265.19748	1.2
274.19171	2.3
275.19858	2.0
277.19528	1.1
283.20557	1.5
285.18411	1.7
286.19073	2.2
287.20163	6.0
288.20349	2.1
297.22046	1.3
299.20059	6.5
300.20575	5.5
301.21570	6.6
311.19974	1.9
312.20743	2.4
313.21332	2.8
314.21738	1.2
325.21661	2.8
326.21997	1.9
327.22815	1.1
340.23660	4.5
341.24326	3.5
352.23978	4.9
353.24323	6.1
354.25269	1.0
365.24817	1.1
366.25336	1.2
367.26233	7.2
375.26810	1.2
378.25125	1.1
379.26489	1.1
380.26837	1.3
387.25214	1.1
388.25647	1.6
392.26660	1.3
393.27847	4.6
414.27139	1.5
419.29358	1.8
420.29724	3.6
421.30466	1.5
426.27792	1.0
427.28339	3.8
428.28888	4.8
440.29248	5.7
441.29504	14.0
443.31021	1.0
491.35153	11.3
494.33182	1.1
509.35901	5.2
520.35602	1.8
521.36017	10.4
565.40161	1.1
583.41296	11.0
586.39630	1.5
601.42316	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63142	2.6
53.03928	7.9
55.01864	2.9
55.05513	21.7
56.81944	3.2
57.07057	10.9
58.19796	2.8
65.03915	6.9
67.05498	37.3
69.03416	19.9
69.07058	27.5
71.04964	3.8
71.66570	3.6
71.66932	4.7
78.69073	2.9
79.05485	31.3
81.07045	45.5
83.04977	26.5
83.08615	18.3
85.06519	6.5
88.27975	2.5
91.05463	54.9
93.07030	88.0
95.04957	29.5
95.08591	53.8
97.06503	15.6
97.10177	3.5
103.05465	4.0
105.07021	100.0
106.07298	3.3
107.04908	4.1
107.08582	90.7
109.06496	19.3
109.10130	36.0
111.08064	7.0
113.09652	3.9
115.05471	6.5
117.07014	19.2
119.08569	98.4
121.06483	12.0
121.10130	99.2
123.08052	21.6
123.11684	10.8
125.06009	3.8
125.09599	17.1
128.06212	11.3
129.06996	20.2
130.07767	12.0
131.08559	43.1
133.10118	70.9
135.08044	23.3
135.11670	22.7
137.09622	7.3
139.11172	6.1
141.06940	6.1
142.07796	22.7
143.08548	43.8
144.09276	10.0
145.06462	4.1
145.08963	4.1
145.10109	82.6
146.07167	4.8
147.08054	13.8
147.11673	28.7
149.09595	19.6
149.13283	4.4
151.07484	6.6
151.11102	4.9
154.07680	6.5
155.08507	16.5
155.10643	9.4
156.09302	18.9
157.10115	64.4
158.10851	7.4
159.08037	22.1
159.11688	48.6
161.09619	15.3
161.13252	7.4
163.11188	11.1
165.06929	5.8
165.09082	8.8
167.08492	11.5
167.10655	72.9
168.09337	11.5
169.10120	30.0
170.10878	13.5
171.07964	3.8
171.11668	40.1
172.12241	5.2
173.09589	9.2
173.13252	27.6
175.11169	18.7
175.14795	16.5
177.12778	4.5
179.08516	12.0
179.14174	3.0
180.09280	6.8
180.20103	2.9
181.10126	16.2
181.12209	7.3
182.10876	8.3
183.11664	27.3
185.09653	5.0
185.13232	25.8
187.11182	7.8
187.14777	12.2
189.12706	6.8
191.14311	8.8
193.10052	10.0
194.10870	11.8
195.11658	24.5
196.12433	7.0
197.13219	30.1
198.13673	3.7
199.11186	5.6
199.14816	12.6
201.12709	4.6
201.16377	10.8
203.14337	9.2
205.10222	4.3
206.10847	5.2
207.11670	16.4
207.13625	4.7
208.12401	6.6
209.13280	30.3
209.15120	4.7
210.13950	5.6
211.11279	4.2
211.14780	21.7
213.12703	8.4
213.16316	7.0
215.14276	8.8
217.15843	5.4
219.17305	3.2
220.12450	6.1
221.13188	17.4
221.15350	22.8
223.14806	18.1
225.12749	4.4
225.16377	8.7
227.14203	7.4
227.17932	3.8
231.11743	8.4
233.13206	4.1
233.15346	37.4
235.14754	8.7
237.16315	6.5
239.17889	4.4
245.13228	8.3
246.14107	3.8
247.14847	10.1
249.16354	5.5
251.14214	3.7
251.17897	8.6
253.19543	3.8
257.13181	4.0
259.14691	4.5
261.16245	7.3
263.17905	8.4
265.15875	2.9
265.19446	7.9
268.17853	3.4
269.18988	10.3
273.16071	3.6
275.17966	7.1
277.19519	4.8
279.17340	3.4
281.18887	4.6
283.20493	4.7
291.21048	4.4
295.20508	6.4
299.20169	4.8
361.25165	4.2
565.39954	5.3
583.41254	9.6
601.42096	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01857	4.5
55.05508	27.8
57.03434	2.9
57.07066	14.6
59.04988	7.0
59.98294	3.3
65.03929	4.5
67.05500	50.3
69.03440	18.7
69.07071	29.2
70.57178	7.3
70.57586	7.3
71.08645	6.2
75.68188	2.8
79.05482	48.0
81.07049	56.3
83.04975	18.8
83.08606	19.1
85.06535	5.8
87.04452	4.6
91.05477	67.4
92.05787	5.2
93.07039	94.9
94.07349	4.8
95.04955	29.7
95.08601	51.1
97.06533	12.8
97.10165	3.9
99.08075	4.3
105.07021	100.0
106.07367	5.2
107.04931	7.5
107.08585	75.7
108.08938	4.3
109.06525	20.1
109.10164	33.5
111.08073	5.3
111.11706	3.2
115.05423	4.6
117.07003	25.5
119.08572	90.4
121.06506	12.3
121.10147	75.4
121.10902	2.7
122.10458	3.4
123.08045	26.7
123.11705	7.4
125.06005	6.0
125.09635	13.1
128.06219	11.2
129.07008	22.0
130.07796	5.6
131.08563	39.0
133.06531	6.8
133.10120	54.0
135.08054	23.1
135.11685	23.0
137.09647	18.0
139.07526	4.2
139.11208	5.4
141.07002	9.1
142.07738	26.2
143.08569	36.1
144.09306	12.6
145.06439	6.5
145.10127	73.5
146.10475	5.8
147.08046	31.5
147.11665	21.9
149.09619	14.6
151.07512	14.5
151.11191	6.3
154.07755	3.3
155.08548	16.9
156.09325	17.5
157.10114	61.3
158.10786	10.3
159.08055	17.0
159.11700	39.3
161.09595	19.4
161.13240	10.3
163.11174	15.8
165.07043	5.6
165.09120	43.5
166.07581	3.8
167.08507	8.6
167.10666	38.8
168.09274	6.0
169.10078	29.1
170.10829	10.0
171.11710	30.8
172.12411	4.5
173.09622	8.8
173.13281	16.9
175.11217	12.6
175.14867	9.2
178.07732	3.1
179.08548	11.2
179.14314	4.3
180.09218	5.9
181.10133	13.0
181.12254	13.2
182.10863	11.0
183.11729	26.7
184.12367	4.1
185.13286	22.1
187.11261	3.7
187.14882	9.4
189.12749	10.3
190.13127	3.3
191.14299	5.4
192.09288	4.6
193.10117	16.2
193.12074	5.0
194.10883	8.7
195.11670	18.8
196.12390	6.5
197.13258	20.9
199.11237	6.1
199.14845	15.2
200.11618	4.2
200.15485	3.1
201.12776	7.4
201.16348	7.0
203.14336	22.1
206.10941	5.6
207.11673	9.3
207.13805	9.5
209.13268	18.3
209.15379	8.0
210.13789	7.3
211.11172	4.5
211.14813	12.5
213.12727	5.0
213.16249	7.8
215.17979	3.7
217.16017	3.4
219.11816	6.9
219.13725	3.2
221.13303	9.4
221.15309	82.4
222.15735	6.6
223.14807	10.5
225.16437	9.7
227.14359	7.8
233.13152	8.6
233.15410	22.9
233.19026	5.7
234.13976	4.3
235.14795	10.9
236.15439	5.7
237.12726	5.3
237.14731	4.8
239.17976	5.6
245.13278	5.5
247.14702	5.9
247.16949	6.0
249.16475	6.4
253.15919	4.9
255.17401	6.6
257.13126	3.7
257.19211	3.5
260.15417	3.0
263.17993	6.2
265.19473	6.8
279.20798	3.7
280.39188	3.9
281.18738	3.6
283.20685	8.0
285.18689	3.8
286.19293	5.1
287.20114	5.5
295.20609	5.6
300.20667	7.7
301.21646	7.3
303.19540	5.3
307.22656	4.6
313.21713	5.2
326.22256	3.6
331.24185	3.7
333.22406	3.4
338.22003	3.9
352.23941	10.5
353.24329	15.2
365.24652	3.4
366.25290	5.4
367.26212	4.1
375.27045	3.6
379.26346	4.6
379.77719	3.6
503.34982	6.3
511.73199	3.8
521.35858	10.9
565.40369	7.0
583.41846	15.3
601.42633	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.6
55.01846	4.5
55.05505	26.0
57.07070	15.6
59.05005	2.8
65.03921	6.8
67.05495	41.2
69.03424	18.2
69.07063	21.8
71.05007	3.7
71.22178	5.4
79.05488	36.1
80.05792	2.3
81.03410	3.9
81.07050	54.4
82.07384	3.2
83.04974	20.3
83.08615	13.5
85.06528	5.9
87.04433	2.8
91.05475	60.6
91.18581	2.4
92.05799	3.9
93.07037	90.8
94.07349	5.3
95.04964	32.7
95.08593	45.1
97.06541	12.8
97.10136	3.3
103.05458	5.1
105.07019	100.0
106.07320	4.2
107.04925	7.3
107.08585	78.7
108.08881	5.3
109.06507	17.9
109.10153	31.9
111.08060	4.4
115.05433	7.9
117.07022	21.0
119.04925	3.5
119.08573	91.1
120.08907	5.4
121.06472	9.6
121.10131	69.2
122.10449	4.8
123.08077	18.7
123.11691	9.4
124.08402	4.2
125.09623	7.2
128.06158	13.6
129.07010	15.2
130.07771	6.0
131.08559	40.6
132.09001	3.4
133.06508	4.7
133.07538	2.9
133.10126	55.2
134.10417	5.1
135.08034	20.7
135.11668	19.2
137.09587	15.8
139.11148	3.3
141.06966	9.6
142.07814	19.0
143.08557	41.0
144.09299	10.6
145.06409	3.2
145.10124	74.8
146.07172	2.5
146.10486	7.6
147.08029	22.8
147.11696	23.2
147.97688	2.5
149.09572	20.8
149.13271	3.4
151.07529	11.2
151.11140	3.3
153.06973	3.5
154.07802	3.6
155.07703	2.0
155.08578	21.8
155.10622	4.4
156.09357	19.0
157.10115	55.7
158.10663	5.9
159.08067	14.7
159.11665	33.7
161.09616	18.3
161.13257	9.0
163.11197	14.8
163.14787	3.0
165.07039	5.4
165.09099	35.4
166.09450	3.3
167.08615	12.4
167.10675	44.6
168.09302	7.1
169.10103	27.2
170.10876	13.1
171.11667	34.6
172.08826	2.6
172.12399	4.5
173.09647	6.4
173.13251	21.4
175.11163	10.9
175.14819	11.2
177.12695	3.7
178.07794	2.8
179.08519	12.1
180.09271	6.7
181.08751	2.5
181.10135	14.9
181.12218	11.3
182.10870	8.5
183.07973	2.2
183.11668	24.6
184.12303	4.4
185.13248	22.6
186.13826	3.7
187.11215	7.2
187.14813	6.5
189.12714	13.5
191.14235	5.8
192.09277	4.7
193.10100	12.6
193.11961	2.2
194.10843	10.7
195.11667	20.0
196.12416	12.1
197.09579	3.1
197.13232	20.9
199.11246	5.4
199.14806	8.5
201.12637	4.8
201.16258	2.6
203.14297	17.3
205.10170	3.4
206.10913	4.9
207.11662	13.9
207.13783	9.3
208.12399	5.7
209.13226	16.2
209.15366	6.3
210.13748	5.6
211.14810	15.4
213.12804	3.6
213.16281	2.9
215.14275	6.0
217.15816	2.6
219.11674	5.8
220.12489	6.1
221.13229	10.9
221.15297	62.5
222.13759	4.3
222.15752	5.3
223.14806	11.1
225.16273	7.7
227.14334	4.0
231.11777	4.1
231.17429	2.8
233.13162	7.6
233.15364	19.2
234.15887	5.9
235.14763	8.1
237.16635	4.3
239.14349	2.7
239.17912	7.1
243.17509	2.4
245.13322	3.2
246.13882	5.5
247.14850	4.7
247.17007	5.5
249.16283	4.3
251.17841	6.1
253.15817	3.4
255.17497	4.0
261.16318	6.3
263.17807	3.5
265.19452	5.5
269.18881	6.6
275.17801	4.5
281.18936	3.5
283.20377	5.0
286.19232	3.2
287.19995	6.7
293.19077	3.5
295.20490	4.3
300.20776	3.3
301.21729	8.0
303.19696	2.8
304.19797	4.8
311.20346	2.8
312.20877	4.8
313.21527	4.6
331.24246	2.6
349.25125	3.8
352.23752	9.3
353.24277	10.6
365.24423	3.4
367.26114	3.5
478.69250	2.5
503.34683	3.7
521.35742	9.5
535.31757	2.5
565.40271	6.1
583.41882	14.7
601.42499	48.6
602.43024	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.6
57.07051	6.2
57.51308	2.1
59.04985	3.8
66.91442	2.2
67.05500	12.6
69.03402	7.6
69.07039	3.4
71.52864	3.7
79.05470	7.9
80.58569	2.3
81.07050	14.9
83.04963	5.5
85.06532	3.6
89.05988	3.3
91.05476	20.0
93.07039	26.2
95.04942	8.9
95.08584	20.3
97.06512	3.2
100.20111	2.2
105.07021	32.1
107.08569	17.9
109.06484	7.7
109.10122	6.7
111.08072	2.8
117.06980	10.5
119.08564	37.1
121.06509	6.3
121.10136	22.2
123.08057	11.0
125.05974	9.2
128.06213	3.4
129.06955	6.7
129.27312	2.4
131.08563	16.1
133.06447	3.0
133.08592	7.3
133.10109	14.4
135.08029	9.9
135.11658	6.6
137.09569	8.2
139.07584	2.7
142.07727	7.9
143.08533	16.8
144.09294	3.4
145.06519	2.7
145.10129	30.2
146.10526	2.2
147.08040	22.0
147.11646	5.3
149.09592	9.5
151.07550	8.5
155.08546	7.7
156.09323	6.8
157.10120	25.1
158.10858	6.1
159.08043	3.8
159.11661	13.6
161.09563	10.9
161.13216	5.8
163.11172	14.1
165.09094	39.1
166.09401	4.7
167.08511	4.5
169.10106	8.3
170.10889	4.4
171.11662	14.5
172.12143	2.6
173.09547	6.9
173.13179	6.8
175.11169	14.7
175.14801	3.7
177.09055	3.2
178.83794	2.6
179.08537	5.0
180.11478	2.5
181.10085	5.3
181.12224	15.4
183.11668	12.3
184.12292	3.5
185.09590	2.7
185.13252	8.3
187.11183	3.5
187.14784	5.1
189.12708	7.1
190.13455	6.6
191.10651	6.1
191.14301	2.9
191.18185	2.3
193.12195	10.2
195.11652	8.8
197.13234	7.9
199.11119	4.7
199.14766	3.9
201.12721	7.4
203.14302	16.9
204.14667	4.3
207.11891	3.6
207.13832	6.9
208.14557	8.1
209.13228	7.7
209.15106	2.6
210.13838	2.5
211.11015	3.1
211.14816	8.3
213.12637	3.9
213.16228	2.9
219.13696	4.7
221.13388	5.1
221.15338	100.0
222.15671	13.4
223.14755	4.5
229.15860	3.1
233.13191	3.5
233.15341	3.1
234.16125	14.9
235.14766	3.7
241.15990	2.4
247.16905	29.0
248.17560	3.4
253.16037	3.1
259.17029	3.0
271.16815	4.0
274.19342	13.7
281.18909	4.2
285.18484	2.5
286.19342	5.3
287.20105	11.2
289.19614	2.7
298.19028	2.7
299.20099	10.7
300.20471	3.9
312.20831	8.2
313.21512	6.1
325.21622	10.8
327.23087	3.7
339.23154	6.5
340.23758	12.4
351.23212	2.7
352.23914	25.1
365.24579	6.2
366.25226	4.8
377.24701	4.0
379.26083	3.9
387.25110	4.4
391.26169	5.1
392.26917	5.9
413.27054	3.3
419.29538	10.7
420.30136	3.9
425.26639	6.2
426.27325	5.1
427.28229	10.0
440.29230	38.4
442.30569	4.7
489.44958	2.3
507.34259	3.5
508.35300	9.8
520.35370	27.0
585.38647	4.0
600.41528	46.6
600.50043	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71503	0.5
53.03939	0.9
55.01862	1.0
55.05505	3.8
56.05003	0.7
57.03437	0.7
57.98795	1.0
58.99580	15.3
66.25446	0.5
67.05500	7.8
69.03428	1.1
69.07063	5.4
71.04992	0.6
71.48306	0.9
72.63589	0.6
76.02223	77.5
76.03998	3.1
77.03863	0.5
77.75794	0.5
79.05482	6.3
80.05014	0.6
81.03381	0.5
81.07047	11.7
83.04987	2.5
83.06104	2.2
83.08601	1.7
84.04500	12.9
85.06527	0.8
86.99046	2.5
88.02208	1.6
91.05472	7.6
93.07037	9.4
95.04971	2.6
95.08598	6.6
97.06522	1.9
99.05553	0.7
102.05529	0.9
105.07024	7.9
107.04955	2.0
107.08592	5.4
109.06525	4.0
109.10151	3.3
111.08072	0.7
116.01669	21.2
117.07015	2.0
119.08575	5.9
121.06506	3.7
121.10120	3.9
123.08063	2.3
123.11658	0.6
129.06644	2.0
130.04994	6.1
131.08582	7.4
133.06456	1.3
133.10127	6.9
135.08061	1.8
135.11670	2.2
137.09628	1.4
138.09172	0.8
141.04846	0.7
141.06972	0.7
142.03210	5.8
143.08546	1.1
144.01129	11.8
145.06216	0.8
145.10114	5.0
147.08026	1.7
147.11670	4.6
149.09619	2.3
149.13260	0.8
151.11163	1.4
155.08559	0.8
157.10094	1.6
159.08029	1.0
159.11705	3.0
161.09622	1.2
161.13280	1.4
162.02191	40.8
163.11186	2.3
170.02704	2.8
171.11647	1.1
173.09637	0.8
173.13231	2.0
175.11191	1.4
179.04843	100.0
185.13306	0.9
187.05389	2.4
187.11143	0.8
191.14296	1.7
199.14851	0.5
201.12833	1.0
207.13747	2.7
215.04845	1.8
215.17943	0.7
219.13667	0.6
229.19469	0.7
231.17365	0.6
233.05907	13.2
239.17894	1.0
245.05898	3.1
255.17552	0.7
257.18988	3.5
270.58353	0.6
273.18539	3.6
275.20047	29.0
276.20471	0.8
287.12885	0.6
290.08011	1.1
291.06400	2.3
291.19485	3.0
293.21103	17.5
308.09094	25.6
312.22623	0.5
323.02817	0.5
333.18698	0.6
350.21411	0.6
351.19559	1.2
362.86691	0.6
368.22513	7.5
378.20721	0.8
380.82550	0.6
436.90341	0.5
453.24194	6.1
471.25021	1.0
479.25659	0.7
509.04306	0.5
517.27667	0.6
525.26160	2.6
537.26154	0.7
582.27991	1.3
600.29596	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
53.87865	1.7
55.01875	11.4
55.05502	31.4
57.03409	6.9
57.07068	8.5
59.04976	2.4
65.03917	6.0
67.05495	84.9
68.50829	1.8
69.03417	8.4
69.07056	42.4
69.40479	4.1
69.40890	19.8
70.16020	2.0
70.37582	2.2
71.04974	3.9
71.08635	4.1
73.63672	2.2
79.05482	74.5
81.03424	3.1
81.07045	100.0
83.04961	9.7
83.08606	17.1
84.04471	2.2
85.06540	5.9
91.05470	72.1
93.07031	94.8
94.95861	2.0
95.04956	21.3
95.07992	4.1
95.08593	74.3
97.06525	17.1
97.10155	6.0
98.20728	4.1
99.08141	2.9
103.05461	4.1
105.07014	61.8
107.04943	11.3
107.08578	56.4
109.06516	26.6
109.10147	30.8
111.08070	6.3
115.05434	5.2
117.07008	26.7
119.08571	56.8
119.92666	1.8
121.06491	7.1
121.10130	60.3
123.08042	18.9
123.11704	9.8
125.05979	4.4
125.09651	5.5
127.07486	1.9
128.06219	5.7
129.06966	15.8
130.07788	3.7
131.08545	41.5
131.09444	3.8
133.06505	5.2
133.10104	44.4
135.08052	18.1
135.11665	22.3
137.06004	2.2
137.09599	14.3
137.13313	2.2
139.07457	1.9
139.11188	5.8
141.06992	7.1
142.07796	8.9
143.06967	4.3
143.08551	19.0
144.09392	2.8
145.06516	4.4
145.10092	45.7
147.07973	11.8
147.11679	17.4
149.09604	24.1
149.13220	7.2
151.07536	10.2
151.11197	4.4
153.09105	2.7
154.07794	3.1
155.08540	11.7
156.09352	6.2
157.10089	25.8
158.10883	3.2
159.08073	9.0
159.11667	28.0
161.09633	8.4
161.13245	12.1
163.11159	8.9
163.14792	3.7
165.06990	3.0
165.09109	15.1
167.08585	4.9
167.10664	47.1
167.11995	3.4
168.09389	4.2
169.10123	17.1
171.11653	19.6
173.02086	1.9
173.09637	6.8
173.13232	20.8
175.11191	4.9
175.14832	5.7
177.09137	3.4
177.12692	2.4
179.08562	4.2
179.14206	2.2
181.10133	7.3
181.12207	4.4
182.10855	4.2
183.11674	15.7
184.12288	2.3
185.09662	3.0
185.13179	12.0
187.11215	4.7
187.14821	11.4
189.12825	7.0
189.16391	2.8
191.14195	2.2
193.10181	5.7
195.11589	11.4
197.13251	12.7
199.09642	5.3
199.11349	3.5
199.14838	5.7
201.16403	14.0
203.14326	5.9
205.15935	3.8
207.11740	4.8
207.13737	4.7
209.13252	12.4
209.15097	2.3
211.14804	10.6
213.16368	7.0
219.11514	2.4
219.17511	4.9
221.13303	4.6
221.15407	20.8
223.14874	6.8
225.16371	3.6
227.18005	3.6
229.15910	8.2
231.17529	2.6
233.13251	3.0
233.15382	17.3
235.14813	4.7
237.16397	4.4
239.18031	2.9
243.21051	2.8
247.16925	27.5
251.14323	2.3
255.17407	3.2
257.19196	3.1
259.20578	2.3
261.22162	4.2
265.18066	3.5
273.18594	4.0
275.20041	3.8
287.20291	3.5
299.20236	4.8
307.22769	4.1
321.20584	14.2
335.25732	17.8
365.24982	2.6
367.29898	3.5
373.15436	2.5
391.26459	2.9
489.36957	4.3
507.39017	3.2
563.39807	3.6
581.41547	36.4
599.42010	72.2
603.50702	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05288	2.8
53.03933	9.4
54.61921	3.2
55.01850	13.1
55.05514	29.4
57.03431	16.2
65.03924	5.2
67.05498	74.3
67.66677	3.0
69.03410	7.1
69.07057	29.8
70.96227	4.3
70.96558	6.7
72.92561	3.8
79.05025	3.3
79.05487	84.2
81.07046	88.5
83.04956	4.1
83.08587	10.6
85.06516	10.6
91.05470	76.5
93.07034	93.0
95.04953	14.4
95.08596	58.5
97.06516	25.5
97.10163	5.2
99.08051	3.6
105.07021	69.8
107.04922	12.0
107.08583	38.6
109.06486	12.6
109.10162	25.1
111.08066	6.6
117.06993	21.9
119.08578	51.5
121.10139	37.6
123.08052	8.0
123.11703	6.0
126.42242	3.1
129.06972	6.1
131.08551	31.9
133.10117	31.1
135.08009	7.2
135.11685	12.3
137.09633	6.5
143.08527	12.1
145.10110	27.3
147.11665	17.2
149.09601	11.7
149.13223	7.0
151.11127	5.1
157.10103	9.0
159.11662	17.1
161.09729	3.5
163.11226	7.8
169.10106	7.9
171.11725	4.0
173.13248	9.3
175.11151	3.4
177.63315	3.8
179.14284	6.3
183.11653	5.1
185.13196	3.9
191.14146	3.8
197.13181	6.6
201.16338	3.5
203.14384	5.0
211.14629	4.6
219.17430	84.3
221.13150	3.2
221.15372	5.7
264.60220	3.4
275.20111	47.4
291.19495	14.4
307.19293	6.3
307.22641	100.0
349.23795	15.6
371.96973	3.3
447.75168	3.5
544.43890	4.3
581.41785	43.4
599.42261	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77875	1.8
53.03931	2.4
53.68301	1.6
55.01860	2.5
55.05506	15.0
57.03442	2.3
57.07063	9.4
59.05017	2.3
65.03918	2.1
67.05499	29.0
69.03423	8.1
69.07060	25.5
71.04971	3.7
71.08621	2.2
71.67030	3.5
75.01615	1.8
79.05482	24.2
81.03392	3.0
81.07046	39.2
81.54552	1.7
83.04972	6.1
83.08607	7.5
84.04529	3.0
85.06517	3.1
87.04473	1.8
91.05470	34.0
92.05815	1.9
93.07036	59.0
95.04968	16.5
95.08595	32.1
97.06535	7.6
97.10159	4.5
99.08097	2.6
101.86427	1.8
103.05457	2.7
105.07009	49.9
107.04931	3.4
107.08585	30.2
109.06497	8.9
109.10137	19.2
111.08099	3.9
111.11703	3.8
113.09644	2.4
115.05408	2.3
117.07004	10.6
119.04925	2.7
119.08576	39.7
121.06532	6.9
121.10134	59.0
122.10452	2.5
123.08059	15.2
123.11707	5.4
125.06010	1.9
125.09621	3.6
128.06264	4.6
129.06990	8.8
130.07784	3.8
131.08546	17.9
133.06450	3.3
133.10101	25.5
135.08087	9.2
135.11681	10.0
137.09605	8.5
139.11189	4.1
141.07004	3.7
142.07745	10.4
143.08568	18.8
144.09361	2.9
145.06511	2.0
145.10109	35.2
147.08090	13.2
147.11699	12.8
149.09604	17.0
149.13234	2.8
151.07491	14.3
151.52869	2.0
155.08574	6.9
155.10603	1.8
156.09381	7.4
157.10118	23.9
157.11246	2.6
158.10916	3.6
159.08017	8.5
159.11671	18.3
161.09654	7.4
161.13338	5.5
163.11221	4.8
165.07025	3.9
165.09103	16.9
166.07802	2.7
167.08516	4.5
167.10664	100.0
168.09256	2.9
168.10991	1.9
169.10115	13.5
170.10899	2.6
171.08093	2.1
171.11688	17.8
172.12485	2.2
172.25378	2.1
173.09662	7.2
173.13245	9.4
175.11255	5.1
175.14861	5.7
179.08620	5.6
180.09372	2.5
181.10187	7.5
181.12222	5.7
182.10924	2.6
183.08060	2.3
183.11725	11.3
184.12404	2.3
185.09689	2.4
185.13266	8.8
187.14793	4.0
189.12767	8.7
190.93782	1.8
191.14317	4.1
192.09438	3.6
193.10213	6.8
194.10904	5.4
195.11652	11.1
196.12415	3.0
197.13277	13.4
199.11247	4.5
199.14862	5.2
201.12840	2.9
201.16345	2.1
203.14386	7.7
205.15796	2.3
206.10966	4.1
207.11667	7.9
207.13857	8.3
208.12442	3.5
209.13306	12.2
209.15315	3.5
211.11263	2.5
211.14828	6.6
213.12865	3.1
213.16446	2.9
215.14352	6.1
219.11760	3.7
219.13716	2.1
219.17578	2.2
220.12520	3.2
221.13312	7.0
221.15269	32.5
223.14880	7.3
225.12769	4.1
225.16634	2.3
227.14406	3.3
231.11835	2.7
233.13206	3.0
233.15312	35.3
235.14751	2.0
237.12669	2.1
237.16455	4.1
239.14427	2.8
239.18036	3.4
241.16002	2.7
244.12521	2.2
245.13286	2.9
247.14850	2.4
247.17001	3.3
249.16322	2.6
251.14297	3.2
251.17792	4.5
253.15834	2.5
259.14838	2.6
261.16318	2.5
263.17944	4.1
269.19095	2.4
273.18759	3.0
281.19061	1.9
285.18546	2.3
287.20331	2.0
289.19754	2.1
299.20123	5.7
311.20139	6.2
365.24939	5.7
373.25504	2.3
377.24667	3.8
391.26367	6.0
393.24112	3.0
419.29788	2.9
481.86581	2.2
507.34644	6.3
563.39136	3.0
581.40253	16.0
599.41144	75.6
599.50507	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4088
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
52.79696	1.6
53.03946	1.9
55.01860	4.3
55.05502	12.7
57.07069	7.2
59.05002	3.0
65.03931	2.3
67.05499	24.8
69.03425	8.9
69.07057	17.7
70.94030	5.0
71.08641	2.6
71.11919	1.5
73.62684	1.4
79.05486	24.2
81.03412	1.8
81.07049	34.0
83.04982	7.4
83.08616	6.2
85.06548	4.5
85.57256	1.6
91.05471	29.1
93.07036	49.6
95.04948	12.7
95.08594	31.0
97.06528	10.5
97.10196	1.6
99.08163	1.8
103.05454	3.0
105.07022	41.0
105.07713	2.6
106.07756	2.1
107.08588	34.9
109.06527	10.4
109.10146	14.6
111.08073	3.9
111.11674	2.1
113.09635	2.4
115.05434	2.6
116.06370	1.6
117.06999	11.4
119.04925	2.5
119.08562	37.0
121.05722	1.6
121.06480	8.1
121.10130	64.8
123.08059	19.9
123.11715	6.9
125.06031	1.8
125.09640	6.1
128.06227	6.4
129.06979	8.7
130.07771	3.9
130.68449	1.8
131.08545	20.7
133.06482	4.0
133.10114	27.0
135.08057	10.5
135.11690	9.0
137.09612	8.0
139.11177	3.0
141.07028	5.0
142.07764	9.7
143.08566	19.1
144.09372	4.7
145.06474	3.1
145.10114	26.3
147.08020	13.1
147.11687	10.7
149.09595	19.5
149.13303	2.5
151.07535	16.2
151.11234	2.6
153.07027	3.6
154.07822	2.0
155.08533	8.7
156.09335	9.1
157.10117	22.9
158.10944	3.0
159.08090	9.5
159.11694	18.5
161.09654	6.8
161.13231	7.5
163.11197	5.9
165.07028	3.2
165.09090	12.4
167.08516	5.8
167.10667	98.5
168.09424	3.2
169.10109	12.6
170.10916	3.4
171.08099	2.6
171.11687	17.0
173.09671	6.2
173.13264	12.0
175.11255	5.9
175.14757	8.7
177.48691	1.9
179.08627	5.1
179.10590	1.6
180.09325	1.7
181.10220	7.5
181.12169	7.4
182.10941	5.9
183.11671	13.3
184.12578	2.3
185.09700	4.4
185.13321	8.1
187.11259	6.2
187.14832	9.5
189.12733	8.8
191.14290	4.5
192.09290	1.8
193.10165	7.0
194.10985	5.6
195.08154	1.6
195.11664	10.2
196.12535	4.9
197.13220	14.2
199.11232	4.7
199.14880	5.1
201.12784	2.9
201.16367	1.8
203.14249	9.4
205.15887	3.0
207.11763	6.0
207.13873	8.6
208.12512	2.9
209.13313	12.4
209.15437	4.3
211.11212	2.7
211.14883	6.1
213.12880	3.5
213.16422	2.9
215.14363	6.6
217.10246	1.6
217.15935	4.3
218.10832	1.8
219.11746	2.9
220.12447	3.8
221.13269	6.7
221.15414	31.9
223.14841	9.2
225.12712	3.3
225.16422	3.4
229.15875	2.2
231.11758	3.8
231.17461	2.4
233.13214	3.6
233.15326	43.2
234.14026	2.2
235.14856	5.4
237.16461	3.0
239.14319	3.2
239.18015	2.3
241.19638	3.2
243.11812	2.2
245.13356	3.6
247.14786	4.2
247.17070	3.9
249.16470	4.3
251.14236	2.0
255.17508	2.8
257.19034	2.1
259.14655	3.9
261.16440	1.9
263.17917	2.4
265.19644	2.3
273.16177	3.0
273.18744	3.7
275.17798	2.3
275.20438	2.0
281.19128	3.1
283.20721	3.4
286.19208	2.5
287.20282	3.8
289.19449	2.6
293.18988	2.6
299.20392	7.9
311.20056	3.9
351.23126	3.1
361.25781	2.1
365.24951	3.6
373.25262	2.3
377.24872	3.8
391.26343	4.8
393.24329	2.6
419.29614	2.4
443.29431	1.8
563.39105	3.4
571.41254	2.4
581.39966	27.4
599.40997	100.0
600.41248	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2494
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
53.03923	1.8
53.16882	1.2
55.05501	3.6
55.23168	1.3
58.37468	1.3
63.42549	1.3
67.05484	5.7
69.07062	3.6
73.51484	1.5
73.65652	1.4
79.05476	7.8
81.07033	7.9
83.04948	2.5
83.08587	1.9
85.06501	1.4
89.06015	4.5
91.05464	8.0
93.07023	8.3
95.04962	2.7
95.08588	8.5
105.07027	5.6
107.08608	4.1
109.10147	3.2
111.07150	1.2
117.06991	2.5
119.08588	5.8
121.10114	7.9
123.08035	2.0
129.06982	2.2
131.08553	2.2
133.08618	3.0
133.10143	5.9
135.08044	2.5
135.11697	2.1
143.08507	1.6
145.10147	6.6
147.03833	1.6
147.08014	2.3
147.11691	2.5
149.09648	2.2
157.10066	3.3
159.11752	1.9
165.09109	2.2
169.10130	2.5
171.11705	2.4
173.09654	1.3
195.08920	1.4
209.24731	1.3
221.15392	4.4
223.12244	2.4
235.12401	1.3
237.13890	3.4
238.14542	1.4
249.13992	1.7
251.11769	2.6
262.05472	1.4
264.12482	1.8
275.20023	2.0
330.19739	2.2
337.15860	1.6
339.16068	3.8
342.19687	1.3
344.35617	1.4
351.16077	1.7
352.17932	2.6
353.17767	4.2
354.18231	6.8
364.17096	2.6
365.17850	1.9
367.19116	2.2
369.20691	16.2
379.19370	11.1
380.19882	2.1
389.17334	2.0
391.19638	2.5
397.20059	6.8
409.20337	1.9
419.18744	1.6
423.21930	2.8
425.19589	23.0
436.18414	1.7
437.19891	2.7
439.21323	2.1
444.22589	1.5
447.18527	2.0
451.21487	11.8
452.21835	2.7
453.19031	2.9
455.24597	1.9
456.25360	3.4
461.19708	2.0
462.20483	3.2
467.24475	3.2
469.22528	2.2
483.24054	3.0
484.24869	5.3
487.71494	1.6
495.23816	1.4
497.21732	2.6
511.23444	4.6
512.24182	53.5
518.33551	2.0
519.34351	3.3
521.21954	4.9
539.22809	43.9
571.24841	2.3
581.23547	2.2
581.41595	3.0
582.22351	1.6
599.24927	100.0
599.41443	7.6
600.25635	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.4
57.07071	34.1
67.05499	3.5
68.33247	1.7
69.07047	6.3
69.43182	1.9
69.43512	19.2
71.08632	31.7
73.06559	8.2
79.05484	2.2
81.07010	3.1
83.08607	6.4
85.06525	2.2
85.10178	20.0
87.04464	8.1
88.23512	1.6
89.06023	100.0
91.05466	6.2
93.07043	4.1
95.04945	2.8
95.08582	2.9
97.10157	6.3
99.11726	3.4
105.07002	5.0
107.07066	5.1
107.08566	2.2
113.77294	1.6
114.70536	1.8
117.09106	5.1
119.08559	3.2
121.10130	2.6
124.45652	1.9
130.08650	4.1
131.08549	3.5
133.08600	44.1
133.09616	2.6
133.10106	4.2
145.10144	2.0
147.11720	2.2
157.10091	2.0
159.11687	2.5
174.30133	1.8
177.11234	15.5
221.13638	3.0
255.60579	1.8
255.81583	1.7
275.19675	1.9
299.29486	5.3
327.20230	3.1
343.31665	2.5
371.22650	3.1
441.89728	1.7
512.01563	2.0
581.45996	5.5
599.40826	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.5
55.05508	33.3
57.03424	6.7
57.07067	4.0
59.04994	3.1
61.41840	1.7
65.03930	2.6
67.05499	55.5
69.03432	5.5
69.07058	25.7
71.04992	6.3
71.08622	2.2
71.75981	3.5
79.05489	41.1
81.03411	6.9
81.07050	59.4
83.04976	8.2
83.08611	16.6
85.06548	4.1
91.05467	36.1
93.07036	43.2
95.04964	11.6
95.08603	35.7
95.95506	1.8
97.06528	10.5
97.10167	19.7
98.98461	6.6
99.08096	2.3
105.07018	34.7
107.04991	2.4
107.08575	28.5
109.02898	2.6
109.06527	7.7
109.10142	22.2
111.08070	3.7
113.09694	2.8
115.05457	3.9
117.06980	15.5
119.08575	30.2
121.06475	2.6
121.10138	25.0
123.08067	5.4
123.11674	12.7
125.09640	9.8
128.06224	5.9
129.07002	17.9
131.08540	24.7
133.06451	2.4
133.10115	24.6
135.08054	5.4
135.11713	8.2
137.09650	4.0
141.06978	8.4
142.07791	4.4
143.08559	19.2
144.09308	2.8
145.06430	2.7
145.10110	28.4
147.08047	4.6
147.11667	15.3
149.09653	7.0
149.13272	3.0
151.11212	3.8
153.07080	1.9
154.07744	2.5
155.08530	16.7
156.09372	7.5
157.10104	27.2
157.11226	2.3
159.08086	4.8
159.11668	17.4
161.09692	2.7
161.13246	7.3
163.11203	5.1
165.07016	3.5
165.09154	2.5
166.07834	2.1
167.08586	8.4
167.10728	8.4
168.09351	2.3
169.10115	16.3
170.10927	3.4
171.11682	17.5
173.09665	1.8
173.13182	12.0
175.11240	2.6
175.14844	5.1
179.08630	5.0
181.10097	10.8
182.10912	2.5
183.11674	17.9
184.12411	3.0
185.09660	3.9
185.13264	15.1
187.11278	3.3
187.13321	4.1
187.14851	5.4
189.11264	6.3
189.12868	2.1
189.16376	2.4
193.10190	5.7
194.10927	2.9
195.11740	12.9
196.12500	2.9
197.09856	2.5
197.13257	14.9
199.14838	11.7
201.16370	3.9
203.14256	2.8
205.10184	2.8
206.10936	2.0
207.11761	6.7
208.12483	2.6
209.13249	13.2
211.14795	12.0
213.12759	2.1
213.14697	2.1
213.16370	10.9
219.11703	2.5
221.13266	6.8
221.15392	5.1
223.14839	7.2
225.16348	9.1
227.12761	7.4
227.18004	4.8
229.15895	2.4
231.17419	3.8
233.13286	4.5
233.15430	2.6
235.14917	6.0
237.16400	5.6
239.17921	5.4
241.19513	4.6
243.15813	2.3
247.14868	3.1
251.18016	6.6
253.19484	5.6
257.18927	3.4
261.03802	2.6
261.16290	2.2
262.22571	2.4
265.19440	4.3
269.19128	2.5
273.18597	3.9
275.20450	2.1
277.19504	2.8
299.20044	2.8
319.23856	2.2
337.21750	2.4
337.24850	1.9
337.27902	20.1
349.25449	2.1
353.28540	5.6
355.26425	4.2
387.94485	2.0
393.28165	3.6
411.29141	5.1
471.13577	1.9
485.32629	6.8
487.35861	10.8
505.37039	11.8
523.38043	2.8
525.36292	2.8
561.38495	3.9
579.40283	34.4
597.41248	100.0
598.41309	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.01867	38.0
55.05506	22.8
57.03429	13.2
57.07066	6.3
65.03934	4.3
67.05496	50.8
69.03430	3.3
69.07059	100.0
69.59165	19.2
71.04974	6.6
79.05483	54.8
81.03399	5.2
81.07042	59.8
83.04975	7.4
83.08603	11.5
85.06531	4.1
91.05468	57.1
93.07031	50.0
95.04961	17.0
95.08592	31.9
97.06520	47.3
97.10152	3.5
99.08081	3.5
103.05476	2.8
105.07021	54.7
107.04948	25.2
107.08581	24.9
109.06515	15.5
109.10122	14.7
111.08038	3.4
115.05456	4.2
117.07014	22.8
119.08562	41.2
121.06482	4.4
121.10139	26.9
123.08070	6.4
123.11749	3.3
125.09631	4.3
128.06213	6.0
129.05537	2.9
129.06989	17.4
131.08562	46.6
133.06526	5.8
133.10115	40.7
135.08015	19.6
135.11655	10.5
137.09625	5.2
139.11217	3.0
141.06998	8.7
142.07739	4.2
143.08569	24.7
145.06444	2.9
145.10115	34.8
146.10844	2.1
147.08023	5.5
147.11671	20.3
149.09602	28.1
149.13269	6.3
151.11212	8.8
153.06955	4.4
154.07834	3.4
155.08531	12.0
156.09288	2.6
157.10127	23.6
159.08072	4.6
159.11691	24.0
161.09610	7.1
161.13222	19.2
163.11200	7.2
163.14789	3.1
165.09129	3.4
167.08543	7.3
168.09343	3.1
169.10103	20.1
171.10182	7.5
171.11717	20.4
173.09653	5.9
173.13239	15.0
175.11270	3.2
175.14801	12.2
177.09131	4.3
179.08577	4.5
181.10135	7.9
181.99008	2.0
183.10196	6.9
183.11714	15.7
184.12329	2.7
185.09659	4.8
185.13249	14.9
187.11183	7.4
187.14861	8.0
187.47997	2.1
189.12790	4.4
189.16463	2.5
193.10127	6.0
195.11674	10.5
197.13258	7.8
199.11195	2.8
199.14838	10.0
201.16412	5.0
202.67319	2.1
205.10143	3.1
205.15779	2.2
207.11792	4.5
209.13258	13.5
211.11057	2.8
211.14824	7.7
213.12805	2.9
213.16364	7.5
215.17909	3.1
217.15892	4.3
219.11731	3.4
219.17494	2.6
221.13326	6.2
221.15440	3.9
223.14801	5.0
225.16354	5.8
227.17960	3.7
229.15915	4.3
231.17529	4.4
231.21037	3.4
237.16306	5.2
239.17923	2.7
241.19490	16.1
247.16982	9.0
251.17966	3.9
255.17436	3.8
257.19031	7.5
259.20633	25.6
261.16037	2.4
265.17944	2.9
273.18524	5.0
281.18930	2.0
297.22144	2.5
299.20139	3.1
307.22913	2.5
312.10620	2.2
313.21478	2.7
321.20526	26.6
333.24185	18.4
375.26956	2.3
389.28183	2.6
391.29956	3.5
393.28021	2.8
407.29599	9.3
409.31140	13.5
441.30261	2.8
473.32809	2.7
481.32755	3.3
483.34799	8.5
485.32477	10.1
487.35776	8.3
499.34393	4.9
501.35535	6.2
505.36856	7.6
523.37897	5.8
525.35840	2.9
569.41150	3.4
579.40393	37.9
597.41333	71.1
599.62891	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51465	1.3
53.03931	4.0
55.01866	8.5
55.05505	33.1
57.03435	8.3
57.07056	3.3
59.04985	1.6
63.56284	1.5
64.19085	1.3
65.03944	3.6
67.05498	54.0
69.03408	3.0
69.07060	29.8
70.36120	4.3
70.36507	3.3
71.05001	4.1
79.05486	48.7
81.03411	3.4
81.07049	59.9
81.07533	3.0
83.04974	6.6
83.08609	14.7
85.02913	1.9
85.06535	4.9
91.05476	48.1
93.07034	52.4
95.04961	10.5
95.08599	42.8
97.06531	9.6
97.10154	12.2
99.08060	2.6
103.05464	1.7
105.07020	45.0
107.04943	6.2
107.08582	28.1
107.55627	1.4
109.06503	8.2
109.10149	19.8
111.08077	5.1
115.05437	3.9
117.07012	19.9
119.08575	34.4
121.06499	3.7
121.10123	25.4
123.08093	6.0
123.11703	9.8
125.09581	9.1
128.06238	5.7
129.05530	2.2
129.06993	23.2
130.07782	2.2
131.08559	30.2
133.06485	2.9
133.10109	31.7
135.08054	7.9
135.11685	12.2
137.09604	5.2
139.36295	1.2
139.37527	1.4
141.06989	10.5
142.07784	6.6
143.07346	2.2
143.08522	28.6
144.09348	1.8
145.06485	3.5
145.10107	29.7
147.08064	5.2
147.11674	18.4
149.09618	12.9
149.13280	3.5
151.07477	2.3
151.11226	2.6
153.07021	2.5
154.07800	3.9
155.08542	16.6
156.09357	5.3
157.10118	26.8
159.08058	5.3
159.11693	19.4
161.09656	4.1
161.13219	7.0
163.11108	3.6
165.06990	3.3
165.09091	3.2
166.07794	3.2
167.08487	8.6
167.10728	5.1
168.09334	3.6
169.10118	21.3
170.10921	3.3
171.10214	1.6
171.11656	20.3
173.09637	1.9
173.11940	2.6
173.13225	12.0
175.11240	3.5
175.14838	4.6
179.08513	4.6
181.10141	8.7
182.10886	3.2
183.11670	24.3
185.09612	2.0
185.13237	15.7
187.11339	3.0
187.13348	2.7
187.14896	4.8
189.11177	3.3
189.12758	4.0
189.16537	1.7
192.09421	2.1
193.10152	4.8
194.10973	1.9
195.11684	11.9
196.12431	2.3
197.13251	15.9
199.11214	2.5
199.14771	7.2
201.12843	2.4
201.16376	4.2
203.17972	3.4
205.10098	1.9
207.11638	8.4
209.13231	10.9
211.11324	1.9
211.14816	12.4
213.16376	11.8
215.18022	3.0
217.15866	2.4
219.11700	4.5
219.17491	1.7
221.13272	6.6
221.15303	3.4
223.11205	2.2
223.14796	7.0
225.12759	1.9
225.16330	7.3
227.12779	4.9
227.18016	4.8
229.15999	4.2
229.19548	1.6
231.17500	5.7
233.13257	3.7
233.15431	2.6
235.14914	4.2
237.16496	5.4
239.18004	6.1
241.19626	3.7
243.15880	2.5
247.14799	2.6
249.16426	4.1
251.18018	4.5
253.19606	4.3
255.17320	3.2
257.19037	3.2
259.20767	2.1
261.16425	1.6
263.17819	2.2
265.19574	3.2
267.17404	1.8
269.19077	2.6
273.18524	5.0
275.20248	4.7
277.19400	2.5
279.20984	2.3
287.20383	1.6
291.19672	2.5
299.20078	2.4
305.21573	2.8
309.22150	2.4
337.25381	4.6
347.23566	1.6
349.24677	2.0
353.28522	3.8
355.26437	2.9
363.26807	1.8
365.23926	1.7
375.26929	2.1
393.28024	3.8
411.29193	2.4
435.65039	1.6
455.31528	1.8
467.21072	1.7
467.31641	2.1
485.32697	13.9
487.35590	10.7
490.52814	1.5
505.36841	11.1
523.38055	3.5
561.39246	2.4
579.40405	41.7
597.41364	100.0
598.41925	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13457	1.7
53.03938	5.2
55.01857	7.6
55.05494	23.2
55.95951	1.8
57.03421	8.6
57.07050	3.5
65.03927	4.6
67.05495	46.9
69.07057	35.4
69.70434	16.4
71.04967	3.4
71.08604	2.4
78.83916	1.8
79.05479	44.0
81.03392	4.3
81.07044	51.7
83.04968	5.7
83.08598	14.1
85.06544	3.8
91.05463	41.5
93.07019	40.2
95.04967	8.7
95.08585	54.8
97.06512	16.5
97.10172	5.6
98.20700	4.2
99.08109	3.6
104.10736	7.4
105.07011	39.1
107.04957	7.3
107.08578	30.6
107.09242	3.3
109.00338	2.3
109.06503	11.5
109.10160	15.4
111.04463	2.3
111.08081	4.8
115.05437	2.2
116.10384	1.9
117.07002	22.5
119.08576	33.3
121.06480	4.4
121.10123	25.2
123.08089	3.9
123.11700	6.4
125.06038	2.1
125.09595	3.8
128.06224	6.0
129.07008	20.6
131.08545	27.8
133.06503	3.1
133.10103	28.0
135.08072	8.2
135.11693	10.0
137.09653	7.1
137.13383	2.2
141.06996	6.1
142.07787	5.0
143.07031	2.3
143.07474	2.7
143.08531	22.6
145.10092	31.4
147.08037	5.4
147.11661	14.6
149.09615	9.7
149.13281	3.9
151.07481	2.7
151.11180	2.8
153.06931	3.2
155.08530	13.0
156.09355	4.1
157.10091	28.1
159.08090	3.7
159.11656	17.3
161.09589	4.5
161.13272	9.1
163.11191	3.0
165.06964	3.4
167.08598	6.4
167.10692	5.0
167.65411	2.1
169.10097	19.6
171.11652	23.4
173.09592	3.3
173.13203	11.6
175.11230	5.6
175.14900	5.9
179.08597	2.9
180.09322	3.8
181.10141	8.6
182.10939	3.5
183.08220	2.2
183.11650	20.0
185.13246	13.2
187.11238	6.6
187.14900	7.4
189.12744	3.6
189.16373	3.1
192.09334	2.8
193.10088	4.1
195.11725	9.6
196.12422	2.1
197.13225	14.7
199.11299	5.1
199.14828	7.9
201.16400	5.7
207.11710	4.9
209.13208	10.1
211.14836	8.4
213.12758	3.2
213.16409	6.7
215.18001	3.2
217.15765	2.1
219.11668	2.7
221.13239	7.0
221.15286	4.1
223.14853	8.4
225.16386	5.4
227.17935	3.2
229.15936	3.0
231.17697	4.0
233.13255	3.2
235.14822	3.9
237.16486	2.1
239.14508	2.6
239.17989	4.9
241.19568	3.2
247.16925	4.4
249.16389	3.0
251.17981	3.4
253.19586	2.9
257.19025	3.6
259.20541	5.1
273.18622	5.2
275.20010	2.6
279.21362	2.1
281.19067	3.3
283.20624	2.7
313.21512	2.4
321.20966	3.0
347.22223	2.1
349.24081	2.9
365.28329	5.8
375.26962	2.8
393.27759	3.5
407.29434	4.9
409.31088	2.8
467.31967	2.3
483.34262	2.2
485.32581	14.6
487.35544	9.5
499.34158	2.5
505.36819	8.6
523.37958	5.0
561.39453	2.8
579.40240	37.5
597.41333	100.0
598.42230	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04350	1.3
53.03935	4.0
55.01860	7.4
55.05502	23.0
57.03417	6.8
57.07058	4.7
59.04981	2.0
64.16068	1.3
65.03941	2.3
67.05495	45.9
69.03419	4.1
69.07063	31.9
71.04997	3.8
71.08614	1.5
71.48808	2.0
71.58735	1.2
73.06548	2.3
75.00722	1.3
75.30177	1.2
79.05481	43.0
79.10751	1.3
81.03424	3.8
81.07043	48.6
83.04985	5.0
83.08611	9.5
84.83818	1.2
85.06524	1.8
91.05467	33.8
92.10708	1.5
93.07025	38.3
93.07573	2.5
95.04960	11.6
95.08591	64.1
97.06527	12.5
97.10150	7.0
97.71242	1.6
99.08072	3.9
103.05459	1.9
105.07012	30.9
107.04974	2.8
107.08578	26.8
109.06510	5.6
109.10140	11.4
111.08038	2.7
115.05446	3.6
117.06998	16.5
119.08560	32.3
121.06541	2.5
121.10129	21.2
121.10963	2.0
123.08079	6.1
123.11708	5.4
125.05970	1.7
125.09618	5.2
126.48732	1.3
128.06247	5.9
129.05464	1.5
129.06992	19.2
130.07758	2.7
131.08539	27.3
131.09430	1.9
133.06500	1.5
133.10107	28.9
135.08047	6.9
135.11681	10.6
137.09636	3.1
139.11124	2.1
140.90248	1.6
141.06958	7.6
141.09039	1.2
142.07764	5.8
143.06949	7.0
143.08543	26.5
145.06441	2.6
145.10110	24.6
147.08043	3.0
147.11681	12.2
149.09598	6.9
149.13268	4.2
151.11140	2.6
153.06989	2.0
154.07779	3.3
155.08527	17.1
156.09357	4.9
157.10109	22.0
159.08105	2.9
159.11696	16.4
161.09651	3.6
161.13239	10.3
163.11136	3.4
163.14787	1.6
165.07051	1.8
165.09113	3.1
167.08514	7.1
167.10674	5.6
168.09373	4.0
169.10103	22.3
170.10878	2.7
171.08055	1.9
171.10249	1.4
171.11633	22.0
173.09576	2.6
173.13257	12.1
175.11200	2.6
175.14864	3.9
179.08575	3.7
180.09390	1.9
181.10130	10.3
182.10997	4.2
183.10081	2.6
183.11664	20.5
185.09641	2.8
185.13232	12.6
187.11102	1.5
187.14856	6.2
189.16348	2.5
193.10168	5.9
194.10942	2.3
195.11665	10.6
196.12463	2.7
197.13222	14.0
199.09625	3.1
199.14830	10.9
201.16423	5.5
203.14310	2.9
203.17963	2.6
205.10162	2.1
207.11670	6.8
209.13251	9.6
211.11214	2.8
211.14806	11.9
213.12839	2.7
213.16414	8.8
215.12799	3.7
215.17998	1.8
219.11748	3.7
221.13258	6.2
221.15286	3.3
223.11018	2.1
223.14885	6.2
225.12782	2.8
225.16400	5.2
227.14449	2.1
227.17941	4.2
229.15919	2.5
231.17397	4.1
233.13208	3.4
233.15433	3.1
235.14938	2.6
237.12749	2.2
237.16457	5.3
239.18011	5.2
241.15921	1.7
241.19556	3.2
243.17809	1.4
245.19225	2.0
247.14769	3.0
247.17029	1.9
249.16405	2.8
251.17943	4.2
253.15698	1.8
253.19458	3.3
257.18988	3.1
259.20471	2.2
263.17944	2.7
265.19629	3.4
267.17520	2.3
269.18784	1.4
273.18539	2.2
275.17599	1.9
275.20181	3.6
281.19141	2.2
299.20114	2.2
319.24265	1.5
321.20453	1.7
323.23645	2.1
332.64224	1.5
337.25186	3.3
347.27060	1.4
353.28708	1.9
365.24500	2.1
365.28378	9.8
383.29416	2.6
393.27869	3.5
407.29727	2.7
409.31046	1.8
421.30600	1.6
439.31915	2.8
459.35739	1.5
467.31586	2.0
469.34357	3.2
485.32474	16.0
487.35696	7.7
499.34589	2.2
505.36954	8.6
523.38068	4.5
561.39319	4.0
579.40320	35.7
597.41315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.6
53.03938	6.1
55.01871	7.5
55.05508	21.3
57.03431	21.1
57.07063	6.7
59.04988	1.4
65.03944	6.4
67.05498	71.1
68.16270	1.1
69.03414	3.9
69.07059	17.7
71.04985	3.6
71.08620	2.5
71.75665	1.2
79.05485	77.8
81.03419	4.2
81.07047	57.5
83.04958	5.4
83.08607	8.8
85.06532	17.5
85.10154	1.5
89.06017	7.0
91.05470	54.6
93.07032	73.5
95.04954	47.1
95.08592	32.3
97.02869	2.6
97.06516	6.6
97.10173	4.5
99.08079	3.6
103.05463	2.7
105.04520	1.8
105.07010	35.8
105.07711	2.0
107.04955	9.4
107.08577	26.1
109.06506	61.3
109.10142	12.8
111.08079	2.9
113.05991	38.0
115.05457	4.6
117.07006	18.9
117.09171	1.4
119.08559	25.6
121.06506	7.5
121.10133	30.4
121.10961	1.9
123.08053	7.7
123.11706	3.8
125.09627	5.0
126.14214	1.3
128.06213	3.2
129.06999	14.0
130.07787	1.8
131.08549	24.9
133.06485	4.6
133.08601	3.0
133.10120	16.4
135.08028	36.0
135.11678	11.0
137.09615	3.4
141.06985	3.3
142.07777	3.7
143.08551	13.5
145.06512	1.8
145.10115	17.8
147.08054	10.9
147.11693	7.7
149.09578	7.9
149.13263	3.9
151.11147	2.1
153.07095	1.3
155.08559	5.0
157.10103	11.3
159.08055	4.5
159.11642	10.7
161.09621	10.5
161.13272	3.3
163.07500	1.2
163.11171	4.1
165.09050	2.7
167.08556	2.4
167.10667	1.5
169.10159	4.2
171.08011	1.2
171.11670	10.1
173.09644	3.8
173.13255	7.2
175.11221	4.4
175.14735	2.3
177.09090	1.3
177.12746	4.2
179.08670	1.2
181.10144	4.1
181.11937	1.2
183.11732	3.5
185.09630	2.6
185.13232	4.9
187.11195	3.2
187.14844	2.4
189.12762	3.5
189.16493	2.1
195.11720	4.2
195.13678	2.0
197.13309	2.9
199.11276	1.8
199.14792	5.6
201.12784	3.2
207.11783	1.7
209.13309	2.7
211.14722	1.4
213.16425	1.4
215.17903	2.1
217.15894	16.5
219.13918	1.3
221.15480	2.1
223.13312	3.2
225.16307	1.9
227.14334	1.8
231.17499	2.1
233.15414	2.7
233.18990	1.5
237.16417	3.4
245.15358	4.6
245.18970	2.7
255.17372	4.4
271.17014	1.6
273.18475	32.7
275.20123	2.0
291.19513	100.0
307.22684	9.7
309.20627	2.3
319.18875	1.4
324.84814	1.3
335.25916	3.7
347.22314	5.4
362.22583	1.4
365.23395	2.4
391.01944	1.2
505.36978	2.2
579.40277	8.6
597.41437	52.4
598.41486	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01869	8.8
55.05265	3.1
55.05508	35.3
57.03432	7.6
57.07069	6.0
58.19238	2.3
59.05008	2.7
62.17483	1.7
65.03944	4.6
65.97316	1.7
67.05499	69.5
67.24362	1.7
69.03424	5.6
69.07063	31.1
70.37520	7.4
71.04993	4.4
71.92120	1.8
76.43039	1.6
78.20825	1.8
79.05020	2.8
79.05482	51.3
79.05923	3.5
81.03398	5.6
81.07048	61.4
83.04980	6.7
83.08601	18.3
85.06536	3.3
91.05467	48.8
93.07032	51.1
93.37702	1.9
95.04963	13.9
95.08598	39.5
96.33176	1.9
97.06543	14.0
97.09644	1.7
97.10159	11.5
99.08083	2.1
105.07017	48.2
107.04948	5.8
107.07497	2.2
107.08582	35.2
109.02893	1.9
109.06519	10.5
109.10142	22.4
111.08086	4.8
115.05485	5.2
117.07008	19.1
119.08572	40.7
121.06503	5.3
121.10132	37.3
123.08085	8.6
123.11700	9.0
125.06013	3.1
125.09599	10.5
128.06216	5.2
129.06992	19.1
129.12694	1.9
130.07813	4.4
131.08563	32.6
133.06557	4.2
133.10115	32.7
135.08055	8.6
135.11676	11.2
137.09637	6.0
139.07669	2.1
139.11197	4.5
141.07005	10.0
142.07848	8.7
143.08534	28.2
144.09396	2.7
145.06473	2.7
145.10118	32.3
147.08055	7.4
147.11681	17.8
149.09615	11.1
149.13271	3.4
151.07565	4.7
151.11182	3.0
153.07042	2.5
154.07774	4.1
155.08560	15.4
156.09398	4.8
157.10117	33.7
159.08069	6.7
159.11681	21.2
161.09621	5.7
161.13300	4.4
163.07504	1.9
163.11186	7.2
165.06995	3.4
165.09186	4.5
167.08617	9.9
167.10660	21.3
168.09373	4.4
169.10126	23.4
171.08060	2.7
171.11658	22.4
173.09627	4.8
173.11800	3.8
173.13297	13.8
175.11179	2.7
175.14830	4.0
177.12758	2.1
179.08585	6.9
180.09329	2.1
181.10159	14.1
181.12123	2.1
182.10986	3.8
183.11687	19.2
185.09683	4.1
185.13235	17.7
187.11194	5.2
187.13315	3.2
187.14867	8.6
189.11246	5.0
189.12810	4.3
189.16370	4.3
193.10175	6.6
194.10973	3.4
195.11694	16.0
196.12610	3.6
197.09753	2.3
197.13232	11.9
199.11255	5.4
199.14868	8.0
201.12714	4.7
201.16492	6.1
207.11771	8.4
209.13283	10.7
211.11267	2.9
211.13138	2.2
211.14751	9.8
213.12892	3.2
213.16360	12.8
215.14372	5.8
219.11514	2.1
221.13258	8.3
221.15483	5.5
223.14870	8.9
225.12912	3.3
225.16365	9.4
227.14551	2.3
227.18094	3.4
229.16045	4.3
230.11119	2.2
231.13914	2.9
231.17534	8.0
233.13287	3.4
233.15289	12.5
235.14868	4.7
237.12785	2.9
237.16435	4.9
239.14325	3.2
239.17992	8.0
241.19495	3.1
245.13219	2.0
247.14778	2.6
249.16449	3.8
251.17963	4.3
253.19481	5.4
257.19028	2.6
263.18109	2.9
265.16025	2.2
273.18680	3.9
275.20197	6.7
281.19012	4.0
299.20279	3.5
305.21274	3.0
311.20157	2.3
319.23825	2.2
321.21973	2.2
325.21744	2.9
337.25327	7.4
339.22934	2.4
349.24414	2.8
351.26859	3.4
353.28632	4.2
355.26419	2.8
363.23196	3.1
393.28168	3.0
411.29108	3.3
417.17776	2.1
417.27747	2.7
435.28058	2.2
469.33981	2.8
485.32751	10.2
487.35794	8.2
505.36743	13.5
523.37939	4.7
541.26465	2.3
561.39160	3.4
579.40393	40.0
597.41144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.1
53.03933	4.6
55.01865	4.6
55.05507	25.7
56.54753	0.8
57.03424	1.9
57.07055	1.9
59.04983	1.2
62.67404	0.8
63.28510	0.9
65.03929	2.5
67.05499	41.2
67.47965	0.7
69.03423	9.6
69.07060	28.1
69.41172	2.1
69.41582	6.4
70.12692	0.8
71.04976	2.5
77.03931	0.8
79.05485	57.9
81.03406	3.1
81.07045	31.3
83.04979	4.6
83.08616	9.4
85.06541	1.4
91.05466	33.8
93.07033	53.8
95.04959	15.9
95.08598	20.9
97.02874	9.3
97.06522	3.8
97.10143	8.2
99.08098	2.4
102.74298	0.8
103.05441	1.3
105.04494	0.8
105.07015	23.1
105.07707	1.2
107.04938	5.4
107.08580	21.0
109.06493	4.6
109.10144	13.9
111.08090	1.5
115.05431	1.9
116.06210	1.4
117.07019	11.5
118.08651	1.0
119.08566	20.9
119.09396	1.5
121.06525	3.0
121.10133	27.2
123.08057	5.0
123.11736	2.7
125.09608	7.8
128.06204	1.5
129.06949	6.5
130.07800	1.9
131.08542	15.8
133.06491	2.5
133.10106	10.1
135.08070	4.0
135.11678	7.9
137.09627	3.0
139.11189	1.0
141.06966	1.7
142.07799	1.3
143.08525	4.4
144.09344	1.0
145.06514	1.3
145.10101	13.6
147.08017	6.1
147.11679	6.0
149.09581	4.4
149.13249	3.9
151.11153	2.2
153.09131	1.8
155.08533	3.0
156.09357	1.4
157.10109	8.1
159.07991	1.3
159.11691	6.3
161.09534	3.7
161.13307	2.4
162.10434	1.0
163.11150	2.8
165.06960	1.3
165.09126	2.3
167.08638	1.0
167.10632	1.5
169.10161	3.5
171.10359	1.0
171.11636	4.2
173.09679	1.5
173.11838	1.3
173.13287	3.2
175.11169	1.9
177.12715	1.9
179.08577	1.2
179.10725	1.0
181.10132	3.0
182.10999	1.1
183.07990	0.8
183.11746	2.1
185.13281	3.5
187.11217	1.6
187.14890	1.8
189.11217	2.7
189.12720	1.4
194.10992	0.9
195.11722	2.0
195.13699	1.7
196.12570	1.1
197.13326	2.2
199.11249	1.4
199.14816	1.6
203.14238	1.1
205.10236	1.2
205.12265	2.1
209.13242	1.8
211.14850	2.2
213.12874	1.2
215.17995	3.3
219.11676	1.5
221.13316	1.6
221.15352	1.3
223.11174	0.8
223.13232	20.1
227.12770	1.7
233.15373	1.3
233.19044	2.0
235.14984	1.3
239.14339	0.9
245.19077	2.0
247.14989	1.2
255.17456	1.2
273.18515	12.6
279.17496	1.0
289.21613	1.1
291.19507	100.0
307.22809	2.5
345.21985	1.2
347.22440	1.1
348.80798	1.1
363.23230	3.1
365.23300	3.2
444.30402	0.8
452.41852	0.9
579.39557	3.7
597.41284	81.3
598.41663	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.8
54.60470	2.3
55.01859	4.1
55.05508	19.6
57.03432	2.3
57.07061	4.4
65.01659	2.0
65.03938	4.4
67.05494	59.4
67.39544	2.1
69.03408	6.7
69.07057	53.4
71.04981	2.3
71.75696	3.1
79.05480	74.5
81.03406	5.0
81.07043	63.3
83.04964	9.6
83.08614	7.0
85.06532	2.3
91.05469	56.6
93.07032	64.5
95.04946	12.0
95.08588	43.6
97.02879	8.2
97.06528	11.0
97.10139	4.0
105.07021	33.6
107.04932	11.6
107.08576	37.3
109.06492	4.4
109.10138	18.3
111.08083	3.0
111.89758	1.9
115.05441	2.4
117.07008	15.8
119.08566	39.4
121.10128	45.8
121.10974	3.7
123.08028	4.1
123.11691	5.4
123.82969	2.5
125.09671	3.3
125.33354	2.2
128.06192	2.7
129.07001	9.7
131.08549	29.7
133.06450	3.1
133.10106	22.2
135.08037	5.6
135.11659	11.9
137.09651	3.9
139.11232	2.1
141.07011	2.7
142.07800	3.2
143.07033	6.1
143.08519	14.4
145.10095	17.7
147.08040	14.8
147.11671	8.6
149.09586	18.4
149.13303	4.8
151.07567	6.0
151.11208	4.3
155.08578	3.9
157.10097	13.7
159.11700	10.1
161.09552	4.6
161.13261	7.0
163.14886	2.7
165.09096	4.2
167.08531	2.5
169.10156	6.6
171.11729	7.7
173.13261	8.5
175.14784	4.4
177.09148	4.2
183.11691	5.2
185.13266	6.1
187.14781	4.4
189.16426	6.7
195.10103	3.0
195.11757	3.3
197.13155	5.1
199.14815	14.3
201.12831	2.6
201.16443	5.9
211.14880	3.1
217.15826	12.4
221.15268	2.6
227.14307	6.5
245.15384	16.4
261.22104	3.9
263.16537	6.6
306.71783	2.3
317.24774	2.9
319.10672	2.2
319.18951	2.6
335.25873	25.3
337.20068	3.6
341.24496	2.4
499.34015	4.3
523.37006	2.5
538.68384	2.4
579.40277	10.0
597.41431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3028
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03931	3.7
55.01860	3.5
55.05506	20.0
57.03423	8.3
57.07057	2.5
60.04395	2.2
67.05494	38.1
69.03403	4.1
69.07054	18.6
70.18940	7.6
70.19334	5.6
71.08608	2.7
79.05476	18.7
81.03409	12.7
81.07048	38.8
83.08598	12.9
85.06541	2.4
89.06093	2.6
89.47807	2.3
91.05470	21.3
93.07042	28.3
95.04946	8.4
95.08602	31.1
97.06506	6.3
97.10166	2.9
97.90170	2.4
98.98454	23.4
104.10738	3.0
105.07010	25.5
107.08577	17.3
109.02862	6.5
109.06481	3.7
109.10129	21.1
117.07004	6.5
119.08578	16.5
121.10114	19.1
123.08048	6.2
123.11681	4.9
125.09629	3.5
127.03893	3.8
128.06294	2.5
129.06975	6.1
131.08549	13.7
133.10135	21.2
135.07997	3.8
135.11667	6.8
137.09457	3.1
141.06865	2.9
142.07719	4.7
143.08554	10.2
145.10124	11.8
147.08031	2.5
147.11664	7.5
149.09631	5.9
151.07591	2.6
151.11063	2.3
155.08527	7.0
156.09303	3.8
157.10109	10.3
157.55272	2.6
159.08037	2.4
159.11699	7.9
161.13206	4.0
163.06033	3.2
167.08545	4.0
167.10686	10.0
169.10127	5.9
171.11618	8.2
173.09659	2.3
173.13240	5.8
175.07686	2.5
175.14824	4.4
180.09251	2.8
181.10063	4.0
183.11745	4.2
185.09474	3.0
185.13292	2.8
193.10124	3.4
195.11758	5.4
197.13206	3.4
199.11229	3.3
199.14836	3.0
207.11667	4.2
209.13292	5.0
211.14798	2.9
213.12694	2.6
213.16353	3.0
220.12315	2.8
221.13284	3.7
221.15326	4.2
223.14786	3.4
225.16200	3.9
227.20064	3.3
233.15326	4.2
261.03644	9.2
263.23657	6.5
273.18582	2.6
279.81418	3.0
297.18387	5.0
299.20230	3.0
335.07101	4.9
337.27350	100.0
338.27478	2.9
485.32733	3.7
487.35010	2.3
579.39252	8.1
597.27338	3.6
597.40448	36.6
614.26239	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1813
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.46771	4.0
57.00504	3.7
57.03424	4.4
67.05500	4.0
70.06558	7.0
72.82643	4.2
77.07403	4.0
79.05450	5.8
81.03400	9.4
83.04964	3.9
83.45763	3.3
85.02897	19.1
91.05456	5.2
93.03393	9.2
97.02850	12.3
98.20691	5.7
107.04919	23.1
109.02843	14.0
115.05396	4.6
117.07008	4.6
119.04922	8.7
121.02856	21.9
121.06474	8.6
123.04406	10.2
131.04829	6.8
133.06483	4.5
135.04367	17.0
135.95502	4.1
139.03883	5.5
145.06480	8.6
147.04399	32.7
149.02313	9.2
149.05978	4.0
151.03864	5.3
153.01743	5.6
159.04353	8.8
160.43764	4.3
161.05943	9.7
163.03896	8.4
165.01750	5.5
171.04372	4.7
173.05936	11.0
175.03908	10.1
177.01822	14.0
177.05412	9.2
181.05000	4.4
183.02899	5.1
185.05975	3.9
187.03931	14.2
189.01767	20.3
191.03339	15.0
195.02933	35.0
201.01711	4.4
201.05388	11.3
203.03427	10.8
205.01324	7.4
207.02866	38.5
209.04530	5.6
215.03406	15.6
215.06879	4.2
219.02876	94.2
221.00890	5.7
221.04434	4.2
223.02399	12.4
225.03905	29.4
229.04922	14.2
231.02908	49.9
233.04344	19.6
237.03812	28.0
243.02882	18.1
243.06563	8.1
245.04419	9.6
247.05710	4.1
249.03911	35.0
254.24741	3.9
255.02814	10.5
257.04330	18.2
259.02399	5.6
261.03937	100.0
269.04294	4.4
271.05923	11.4
273.03833	39.0
281.04523	4.5
285.03909	45.4
291.04907	26.7
297.03842	17.8
297.07507	19.0
299.05368	10.9
303.04919	35.2
309.03830	5.3
309.07535	6.9
315.05002	10.1
321.06015	20.0
327.04883	44.1
327.08664	23.9
339.07846	29.7
345.06064	12.1
351.08643	18.1
357.05850	5.3
363.06976	29.1
375.07068	8.8
381.09659	33.3
387.07028	7.6
393.09464	31.2
405.08655	29.8
411.10693	9.5
417.09464	6.5
423.10132	19.6
427.10284	5.9
429.12006	30.1
441.11169	32.3
447.10638	16.1
459.12839	17.9
465.11649	8.2
477.11646	9.6
483.12482	14.0
495.13226	9.1
507.12997	8.1
525.13995	7.7
543.14825	10.9
614.62787	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1443
Annotation	Peltatoside
Peak:m/z	Relative Intensity
54.50521	0.6
56.71780	0.4
56.96572	0.5
57.03431	3.3
58.81669	0.5
61.02912	3.2
66.08609	0.5
66.08952	0.5
67.05504	0.6
68.99783	1.0
69.03401	2.3
70.06577	1.7
71.01353	0.6
71.73890	0.9
73.02572	0.6
73.02912	7.2
78.86231	0.4
81.03377	0.7
84.08128	0.5
85.02895	6.9
86.09682	1.1
91.03934	2.3
91.05452	0.6
97.02887	4.6
99.04435	0.5
109.02851	1.1
111.00832	0.7
115.03899	2.7
121.02840	0.9
123.04406	0.6
127.03893	1.8
129.10292	0.6
136.07549	0.6
136.46219	0.5
137.02342	4.0
145.04932	1.7
149.02322	0.6
153.01793	3.6
161.05951	0.6
163.05911	0.7
165.01859	2.1
167.07016	2.9
173.06004	0.7
183.02899	1.0
200.06631	0.5
201.05472	1.7
213.12343	0.8
229.04941	4.2
247.05920	0.8
257.04376	2.9
274.04755	0.6
285.03949	1.3
303.04959	100.0
304.05188	1.6
315.04904	2.8
327.04941	0.8
341.06339	0.6
345.05975	2.3
369.06058	1.8
421.16208	1.5
429.08304	0.6
447.09274	0.7
465.10291	1.9
537.19104	0.6
623.49274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.9
55.01856	7.9
55.05504	17.3
57.03428	13.5
57.07037	3.1
61.02919	31.0
65.03931	2.9
67.05500	43.6
69.03114	2.4
69.03421	20.3
69.07069	30.8
71.04972	6.6
71.74525	2.6
71.74950	2.7
73.02913	11.6
73.04711	2.0
79.05486	46.6
81.03412	28.0
81.06588	4.1
81.07046	46.0
83.04956	9.0
83.08616	13.6
85.02896	28.0
85.06522	5.1
89.03911	3.1
91.03944	14.4
91.05471	58.9
93.07035	43.8
95.04971	14.0
95.08602	22.2
97.02872	18.0
97.05931	4.1
97.06522	42.3
97.10152	3.7
103.05454	4.4
105.07027	42.1
107.04945	9.5
107.08582	17.4
109.02829	3.1
109.06489	9.2
109.10139	7.5
111.04395	5.3
111.08070	4.7
115.05455	5.4
117.03358	3.4
117.07003	28.6
119.08582	30.4
121.06514	6.0
121.10120	19.2
123.08063	5.5
124.91544	2.1
125.09590	4.7
127.03904	5.3
128.06216	8.6
129.07002	42.3
131.04926	5.9
131.08560	40.7
133.06456	7.5
133.10130	13.5
135.04416	8.2
135.08029	12.4
135.11676	2.6
137.09583	6.0
141.06978	18.2
142.07802	4.8
143.08565	25.1
145.02757	4.2
145.06451	10.1
145.10124	13.7
147.08026	10.4
147.11661	8.7
149.09607	23.5
151.07408	2.8
151.11128	4.4
153.07028	3.6
154.07698	2.8
155.08542	22.7
157.06464	4.5
157.10036	12.2
159.08018	4.6
159.11691	10.1
161.09616	5.5
163.03902	30.0
163.11140	3.2
164.04126	2.2
165.07018	4.8
165.09094	3.8
166.07625	3.2
167.08611	12.4
168.09167	2.4
169.10097	20.7
171.08003	4.2
171.11632	9.5
173.02315	3.9
173.09607	6.6
173.13190	4.8
175.11166	7.7
175.15025	2.6
177.12740	3.7
178.07851	3.8
179.08539	6.9
180.09337	2.4
181.10112	12.6
183.08054	3.2
183.11635	12.2
185.09639	10.0
185.13235	8.2
187.11185	7.2
191.08492	2.9
193.10135	8.8
193.12129	4.8
195.07990	2.6
195.11668	14.7
197.09654	4.5
197.13222	6.8
199.11159	4.3
199.14793	3.2
201.12794	4.6
203.14328	3.4
205.10178	2.7
205.12115	3.1
207.11646	6.4
209.13248	9.2
211.11116	7.6
211.13092	4.6
211.14944	4.9
213.12724	7.4
215.07063	6.3
215.14265	8.6
221.13297	13.1
223.11101	2.9
225.12834	13.4
227.14491	2.8
229.12248	3.7
237.12692	3.6
239.14293	9.5
241.08575	3.3
243.13817	6.0
247.13252	4.2
257.15402	4.7
259.09610	17.1
273.14520	2.9
275.20084	3.4
277.19321	5.7
286.04379	2.2
287.17838	3.5
295.20468	10.9
305.18881	13.6
313.21579	9.6
319.08102	2.7
323.20047	52.3
341.21088	43.6
351.25516	2.5
355.15363	6.6
359.21976	9.6
397.23593	8.1
415.24786	100.0
416.24991	3.4
433.25845	56.1
434.25998	3.4
541.27625	3.1
577.29889	3.7
585.97040	2.3
595.29865	14.6
595.39709	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69804	2.0
50.95709	2.0
52.13856	1.7
53.03934	4.0
55.01859	4.4
55.05510	14.8
57.03418	7.4
61.02917	20.3
67.05502	29.4
69.03413	7.2
69.07066	15.7
71.04985	6.6
71.08578	1.8
73.02896	6.5
79.05485	29.0
81.03413	14.6
81.07040	29.4
83.04969	5.6
83.08607	5.6
85.02892	17.8
85.06551	2.8
91.03944	11.6
91.05466	39.0
93.07037	23.3
95.02283	2.0
95.04955	7.7
95.08602	17.4
97.02884	12.4
97.05946	2.8
97.06525	38.9
97.10157	4.1
98.09679	10.1
99.04417	2.2
100.11266	2.0
103.05442	2.2
105.07026	23.5
107.04941	4.7
107.08572	9.9
109.02869	4.5
109.06502	3.3
109.10139	8.1
111.08075	4.8
115.05473	4.6
116.10704	6.0
117.07016	22.6
119.08564	23.2
120.08144	2.2
121.06528	4.3
121.10162	12.6
123.04424	2.5
124.01309	2.1
125.09693	2.4
127.03924	4.3
128.06212	4.3
129.05519	2.3
129.06996	21.5
130.07768	2.1
131.04897	2.7
131.08568	28.0
133.06470	4.6
133.10100	12.5
135.04399	4.0
135.08049	4.2
135.11688	5.3
137.09596	6.9
141.06998	14.4
142.07690	2.4
142.08711	2.5
143.08553	18.3
145.06470	8.5
145.10123	14.6
147.08018	9.9
147.11693	6.5
149.09592	6.7
149.13277	3.7
151.11098	2.3
153.07002	2.3
155.08493	15.5
157.06474	3.2
157.10088	12.0
159.07957	2.6
159.11681	15.5
161.05980	2.3
161.09587	4.3
163.03879	16.1
163.11174	4.0
165.07034	4.1
165.09129	5.2
166.07794	2.1
167.08519	7.7
168.09317	3.0
169.10115	12.8
171.08026	3.5
171.11665	16.2
173.09604	6.3
173.13248	3.7
175.11205	3.9
177.09116	5.3
179.08536	5.1
181.06346	2.5
181.10112	8.7
183.08138	2.2
183.10368	2.0
183.11674	13.5
185.09619	6.7
185.13260	8.5
187.11070	10.2
187.14743	2.5
189.09065	3.1
191.10652	3.0
193.10202	4.7
195.11691	7.8
197.09662	3.9
197.13202	4.3
199.07545	3.5
199.11115	5.1
199.14803	4.1
201.12732	3.8
207.11812	3.3
209.13318	4.6
211.11174	8.7
211.14967	2.5
213.12750	4.8
215.07024	3.3
215.14354	4.2
219.11555	2.1
221.13278	5.8
229.91443	2.1
235.14760	2.9
241.08612	6.9
241.12166	3.0
243.13741	2.5
245.13409	2.6
259.09628	8.9
277.19312	3.0
295.20642	11.8
305.19016	3.6
311.12894	4.5
313.21469	20.1
315.23111	3.7
319.07941	2.2
323.20007	20.5
326.23102	2.5
331.22678	2.1
332.15680	3.1
334.53262	2.0
337.14215	6.9
341.21112	20.4
355.15332	9.0
356.15787	3.0
359.22086	5.6
368.18100	3.6
397.23752	5.7
415.24786	100.0
416.25043	4.3
424.30313	2.2
433.25775	31.2
577.29297	3.0
595.30994	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03920	0.4
53.38915	0.2
55.01860	0.3
57.03435	1.9
61.02902	0.6
68.99782	0.3
69.03424	1.1
70.99168	0.3
70.99502	0.4
71.04987	10.8
73.02898	0.4
75.04463	0.5
81.03392	0.5
83.04955	0.7
85.02896	14.0
87.04382	0.3
97.02866	1.1
99.04405	0.2
103.05441	0.3
105.03395	0.3
109.02866	0.5
111.00770	0.7
111.04410	0.5
121.02860	2.1
127.03890	0.9
129.05463	4.1
133.02861	0.3
137.02316	0.5
137.38019	0.2
145.04938	0.7
147.04367	0.3
147.06502	1.2
153.01819	2.8
159.98236	0.3
165.01779	1.1
171.04457	0.2
183.02852	1.0
185.05949	0.4
213.05432	0.8
215.07068	0.3
217.04509	0.2
222.98271	0.2
224.91821	0.2
231.06494	0.4
239.35390	0.2
241.04893	0.5
258.05133	0.8
259.05945	0.3
269.04504	0.2
287.05469	100.0
288.05835	1.2
299.05414	0.4
313.06815	0.3
329.06561	0.4
379.07999	0.3
397.08835	0.3
449.10977	0.5
534.53436	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1651
Annotation	Orientin 7-O-rhamnoside
Peak:m/z	Relative Intensity
50.34592	0.8
54.43105	0.8
55.05514	0.9
57.03426	6.6
67.05535	0.8
67.95381	0.9
68.99792	1.1
70.06574	3.2
71.04982	39.0
71.05378	1.8
71.33109	1.9
72.08131	3.4
73.02903	1.9
74.06126	0.9
75.04444	1.1
81.03381	1.7
83.04990	1.6
84.08130	1.4
85.02892	39.0
86.09725	1.3
87.04413	1.1
89.21276	0.8
91.05449	1.3
97.02861	1.4
109.02843	1.6
119.04918	1.7
120.08068	1.2
121.02884	1.1
129.05482	5.8
135.04414	2.4
137.02299	4.9
141.01810	1.5
147.04482	2.1
147.06485	0.9
149.02261	1.6
161.02364	2.6
163.03893	2.7
165.01790	7.8
167.03381	4.6
177.01828	1.2
181.04967	1.7
183.02853	6.6
191.03374	1.3
195.02869	3.0
245.04300	1.0
261.03812	1.5
271.05997	1.3
283.06000	11.1
286.04669	2.9
287.05469	8.1
295.05905	2.1
297.07513	8.5
299.05457	100.0
300.06223	10.1
301.06805	1.5
309.07590	1.1
311.05490	13.2
311.08844	1.7
313.06982	6.6
321.07437	2.7
323.05478	2.8
323.08939	1.3
324.06158	2.6
325.03442	1.7
325.07013	24.2
329.06509	95.9
330.06949	1.0
337.07132	4.0
339.08578	16.9
349.06897	4.1
353.06503	49.5
365.06506	11.9
367.08066	3.7
377.06525	10.9
383.07523	32.5
395.07568	20.9
413.08652	24.2
415.10159	0.8
431.09683	45.9
433.11331	1.3
449.10709	49.6
496.36902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1648
Annotation	Orientin 7-O-rhamnoside
Peak:m/z	Relative Intensity
52.98593	0.9
57.03429	5.1
69.55385	2.8
69.55811	5.0
71.04980	25.7
75.04432	1.1
81.03402	1.0
85.02895	25.4
98.21436	1.7
111.04414	1.0
129.05417	3.9
135.04356	1.8
137.02319	3.4
141.01846	1.2
157.50923	0.8
161.02309	1.3
165.01805	13.0
167.03313	1.4
177.01736	0.9
179.03348	3.9
180.49965	0.9
183.02835	5.8
215.36296	0.9
283.05865	4.5
286.04715	4.3
287.05444	17.3
289.03534	1.1
295.06018	3.2
297.07483	7.5
299.05444	100.0
300.06027	6.2
301.07080	6.6
310.04492	2.1
311.05429	14.5
311.08780	1.7
313.03394	3.6
313.07001	19.1
315.04999	5.1
321.07465	3.1
323.05356	10.6
324.06116	3.7
325.03366	2.3
325.07016	17.2
327.04889	5.3
327.08429	1.8
329.06497	26.0
339.04816	6.0
339.08530	31.0
341.06451	3.6
349.06900	4.7
351.04849	2.2
351.08636	2.2
353.06464	12.3
367.08060	23.4
369.05875	3.1
377.06396	4.3
379.08145	4.8
385.08960	4.6
395.07559	52.8
413.08597	74.2
414.08975	2.0
431.09653	57.2
432.09814	1.3
449.10693	22.9
475.12042	1.2
515.11603	3.2
541.12958	1.7
559.14093	1.7
577.14893	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1651
Annotation	Orientin 7-O-rhamnoside
Peak:m/z	Relative Intensity
51.38588	0.4
53.03909	0.9
55.01867	1.3
57.03428	5.1
68.99781	0.7
69.03384	0.8
70.06559	1.1
70.86094	1.0
71.04985	24.2
73.02880	1.1
75.04448	0.8
79.05453	0.6
81.03344	0.7
83.04935	0.7
84.08132	0.6
85.02895	23.6
87.04429	1.3
111.04382	0.6
127.03875	1.8
129.05441	4.5
135.04353	2.3
137.02332	4.1
141.01794	1.3
149.02359	0.7
151.03854	0.9
153.01837	0.9
161.02298	2.2
163.03833	2.1
165.01814	10.1
167.03346	1.5
173.02269	0.5
177.05472	0.5
179.03325	2.7
181.04950	0.8
183.02881	6.3
189.01810	1.1
191.03326	0.6
195.02763	1.0
197.00723	0.7
245.04399	2.2
271.06168	0.8
272.06836	0.7
275.40994	0.6
283.05908	4.4
286.04663	1.8
287.02444	1.2
287.05466	16.8
295.05948	4.7
297.04260	0.5
297.07526	10.5
297.10712	0.9
299.05466	100.0
300.06177	7.4
301.07013	1.5
310.04611	2.3
311.05481	17.7
311.08807	0.9
313.03391	3.2
313.06952	18.9
321.07513	2.1
323.05450	16.1
323.08868	0.6
324.06207	3.1
325.03580	1.0
325.06989	23.3
327.04959	5.2
327.08661	2.7
328.05649	1.4
329.06516	24.6
337.06940	1.3
339.04852	7.2
339.08609	18.7
341.06366	3.9
345.05817	0.6
349.07004	4.8
351.04828	3.2
351.08658	4.9
353.06516	12.9
367.03430	1.1
367.08102	19.0
369.06042	6.7
377.06555	4.9
379.08112	12.5
385.09186	3.9
395.07584	45.4
396.07724	0.7
397.09216	2.1
413.08630	84.4
414.09116	1.0
415.09918	0.7
431.09695	79.9
432.09879	1.6
433.11295	1.3
449.10812	16.8
515.11560	2.4
541.13428	4.9
559.14612	4.9
577.15674	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1649
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.48999	0.2
55.05495	0.4
57.03432	1.8
58.47663	0.2
61.02920	1.5
68.99780	0.5
70.30067	0.8
71.04982	10.4
73.02895	0.5
74.57597	0.2
75.04459	0.5
81.03431	0.2
83.04980	0.5
85.02890	12.5
86.09662	0.2
87.04436	0.4
91.03945	0.8
97.02853	0.9
107.04951	0.4
109.02900	0.3
111.00756	0.6
111.04464	0.4
121.02859	2.4
127.03912	0.6
129.05455	3.2
133.02791	0.3
137.02307	0.6
137.86293	0.2
145.05093	0.2
147.04468	0.3
147.06494	0.8
153.01816	3.2
165.01808	1.7
171.04257	0.3
183.02870	0.8
185.05928	0.4
213.05498	1.1
231.06465	0.5
241.04877	0.8
258.05249	0.9
259.06082	0.3
269.04718	0.2
283.06024	0.3
287.05457	100.0
288.05765	2.3
299.05392	0.5
329.06485	0.4
353.06281	0.3
431.09750	0.2
449.10727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10273	0.3
55.05500	0.5
67.05501	1.1
69.07075	0.3
70.06558	0.2
71.34646	0.3
75.58846	0.2
79.05479	0.5
81.07033	0.8
91.05483	0.7
93.07019	0.6
95.08594	0.6
98.98457	3.8
105.07005	0.5
107.08587	0.5
107.43196	0.2
109.30709	0.2
115.05486	0.4
115.81332	0.2
117.06984	0.5
118.06535	1.2
119.07298	1.0
121.10247	0.2
124.99986	13.7
130.06566	0.2
134.09636	13.9
144.06911	0.4
144.08058	7.1
145.08850	4.2
160.11192	90.1
161.11528	0.9
178.12251	5.6
178.13791	0.4
216.81232	0.2
241.64790	0.2
256.26373	0.2
258.08868	100.0
259.09204	0.8
332.12567	0.3
400.34601	0.2
576.34393	1.1
576.45947	0.6
594.35205	1.6
594.45795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.4
55.01854	7.6
55.05505	12.9
56.96526	1.8
57.03431	10.3
61.02892	1.5
65.03922	2.7
67.05497	28.7
69.03415	15.2
69.07056	13.1
70.06599	1.4
71.01334	3.2
71.04981	7.0
71.35880	3.8
73.02923	2.9
79.05484	33.6
81.03407	100.0
81.07041	22.2
83.04967	12.0
83.08603	7.2
85.02895	21.4
91.04911	2.6
91.05460	44.4
93.07028	25.5
95.01331	2.3
95.04398	2.4
95.04961	29.9
95.08579	15.6
97.02885	14.2
97.06519	13.4
97.10139	4.1
99.04431	3.8
103.03942	1.8
103.05452	3.9
105.07013	18.8
107.04948	11.9
107.08585	11.4
109.02866	12.8
109.06475	4.5
109.10124	7.0
111.04449	7.9
111.08070	4.4
115.05428	4.2
116.06226	1.4
117.07012	11.3
119.04897	5.0
119.08566	30.3
121.02825	4.2
121.06499	11.8
121.10140	5.5
123.04402	13.8
123.08027	3.9
123.11713	2.1
125.02347	2.5
125.05936	2.4
125.09622	5.7
127.03894	9.8
128.06207	4.2
129.05519	1.9
129.06981	12.2
131.04881	5.7
131.08557	11.9
133.06468	7.1
133.10103	5.9
135.04388	2.8
135.08031	10.5
135.11655	2.5
137.05949	2.3
137.09592	17.4
141.06953	4.1
142.07785	1.8
143.06981	2.4
143.08543	3.4
145.06453	6.4
145.10107	3.6
147.04344	6.9
147.08047	8.4
147.11665	8.1
149.05923	4.0
149.09598	8.3
153.06902	1.9
153.09142	1.7
155.08530	3.9
157.06506	3.8
157.10124	6.9
159.04425	3.0
159.08015	3.5
159.11696	2.7
161.05962	6.5
161.09587	6.3
163.03874	5.9
163.07504	3.7
163.11145	4.5
165.05614	1.3
165.06998	1.5
165.09126	13.7
165.10429	2.1
165.12767	2.1
167.08575	2.4
169.06468	3.0
169.10085	2.3
171.04285	1.8
171.08035	3.7
171.11716	2.6
173.02208	1.5
173.04411	3.2
173.05919	4.8
173.09616	2.2
175.07545	3.3
175.11147	7.2
177.09076	5.5
181.06429	1.4
181.08578	2.0
181.12218	1.7
183.07916	1.8
183.10139	3.2
183.11613	2.3
185.05998	2.8
185.09541	2.5
186.06781	2.3
187.07518	3.0
187.11180	2.6
189.05392	4.8
189.09090	3.5
189.11118	1.4
189.12709	1.6
191.07031	1.8
191.10664	3.7
193.12198	16.1
195.10092	2.4
196.53427	1.3
197.09581	2.8
199.03900	4.1
199.07562	4.1
199.11182	3.5
205.12257	2.0
207.10063	2.7
211.11302	1.9
211.13226	18.4
213.05414	2.8
213.09036	2.9
213.12517	1.6
215.07343	1.6
215.10590	2.3
217.04979	1.9
217.12222	3.2
221.11658	1.6
227.10600	5.5
227.12665	2.4
229.12193	1.7
231.10074	2.2
235.13301	3.6
239.10660	2.1
239.12762	6.9
241.08548	1.6
245.11722	5.0
247.13200	1.8
255.10168	3.6
257.07333	2.0
257.11523	2.1
257.13831	4.0
259.13263	1.8
267.09180	1.9
267.15970	4.7
273.04117	1.6
273.11313	8.4
273.14600	7.3
275.12762	1.7
283.09854	2.6
283.13263	1.8
285.16928	4.3
287.13037	1.8
291.12180	4.5
301.14307	5.4
309.10791	2.1
319.15329	3.1
327.12183	3.0
331.15402	2.1
337.11029	1.6
339.19656	3.4
347.14795	3.0
357.20529	5.7
359.43839	1.4
365.16116	1.5
369.19382	1.6
375.17511	1.8
393.19177	1.6
401.10025	3.6
413.23010	2.0
419.22183	1.8
431.24246	9.6
442.31470	1.5
449.25281	3.1
473.24918	3.2
497.25452	1.6
501.23566	2.2
511.26468	2.0
519.23480	1.4
533.27374	1.6
537.24884	1.5
539.25861	2.8
545.26776	2.0
553.30896	1.5
557.27509	14.2
575.28021	11.1
593.29346	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
55.01861	6.9
55.05499	10.5
57.03425	5.3
65.03915	2.7
67.05496	22.4
69.03421	12.6
69.07046	6.2
71.04971	4.5
73.06534	0.9
73.51801	1.0
77.03940	0.9
79.05483	20.9
79.75854	0.8
81.03407	100.0
81.07043	17.8
83.04971	10.0
83.08614	9.8
85.02887	16.7
85.06522	1.4
91.05466	47.4
91.23965	0.9
93.07031	20.5
95.01276	1.2
95.04952	19.2
95.08606	11.8
97.02881	13.0
97.06522	7.4
97.10140	3.7
99.04436	3.2
99.08063	1.2
99.38412	0.9
102.30503	0.9
103.05456	2.7
105.07014	15.5
107.04958	7.3
107.08590	8.1
109.02876	15.1
109.06519	2.9
109.10126	6.7
111.04420	7.4
111.08064	6.3
113.06033	1.4
115.05440	2.0
117.07014	7.5
119.04910	1.7
119.08565	37.0
120.43638	0.9
120.70020	0.9
121.02917	0.9
121.06496	7.0
121.10136	6.0
123.04395	4.8
123.08052	2.7
123.11654	1.1
125.02332	2.8
125.09593	2.2
127.03890	7.7
128.06209	1.9
129.06995	9.8
131.04889	3.0
131.08568	7.6
133.06485	4.2
133.10106	5.4
135.04427	2.0
135.08055	5.1
135.11674	2.2
137.05907	2.0
137.09590	19.9
141.06935	1.8
142.07791	1.4
143.07011	1.2
143.08524	3.3
145.06502	2.7
145.10095	3.5
147.04373	1.7
147.08006	6.3
147.11665	9.6
149.05972	2.3
149.09604	5.2
151.03915	1.1
153.09091	2.5
153.12782	1.4
157.06503	1.3
157.10088	7.9
159.08063	1.4
159.11673	1.2
161.05971	2.7
161.09589	2.0
163.03896	1.7
163.07539	1.2
163.11137	3.5
165.09120	18.3
165.12782	2.0
167.08533	2.2
171.08051	2.9
171.11714	1.2
173.04483	2.3
173.05881	1.5
173.09570	2.0
175.07513	1.4
175.11176	7.5
177.09122	2.6
179.08553	1.1
181.10274	1.3
181.12166	1.6
183.08029	1.5
183.10123	4.4
185.05914	1.2
185.09563	2.0
187.07608	1.3
189.05489	2.3
189.09076	2.3
189.11082	1.0
191.10649	1.7
193.12199	18.1
195.10126	1.2
199.11298	2.1
201.09207	1.0
205.12137	1.3
207.10043	1.0
211.11244	1.6
211.13269	24.2
213.09084	1.0
215.10663	1.4
217.12279	1.1
221.11690	1.0
227.10701	2.2
227.12782	2.5
231.10274	1.5
239.12704	5.4
243.10332	1.4
245.11736	3.6
249.11313	1.1
255.10202	1.6
257.13931	1.5
261.11179	1.0
263.12747	1.0
267.16019	4.4
273.11215	4.3
273.14850	2.8
277.14206	0.9
285.16931	4.2
291.12079	2.2
301.14362	3.3
319.15509	2.3
327.54892	1.1
337.16733	1.9
339.19562	2.7
347.14764	2.0
355.08038	1.5
355.17432	1.3
357.20508	2.6
357.32468	1.0
365.15906	1.9
375.17715	1.2
393.19095	1.8
401.10327	1.1
401.21405	1.2
411.20093	2.4
431.13458	2.2
431.24377	4.0
449.25302	3.7
467.26306	3.7
533.27094	1.0
539.26178	1.3
545.27789	1.6
557.27466	7.6
575.28455	6.6
593.29449	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18038	0.3
55.37636	0.3
60.35659	0.3
60.85454	0.3
61.89965	0.3
71.00354	0.9
81.07039	0.5
109.10117	0.3
121.10115	0.3
187.31442	0.3
207.09195	0.3
209.10690	0.3
221.10756	0.4
238.62518	0.4
283.72293	0.3
342.16223	0.3
387.16254	0.4
388.16934	0.7
389.17514	1.7
390.18774	0.5
401.17911	0.7
402.18430	1.2
403.19168	5.4
404.19809	1.8
405.20700	2.7
406.21179	0.5
415.19699	0.8
416.20062	1.4
417.16837	1.1
417.21371	4.7
418.21713	3.3
419.22308	4.8
429.21179	0.5
430.17709	1.2
430.22540	0.5
431.18039	9.6
431.23047	1.3
432.18439	2.3
433.24091	8.9
434.24347	1.2
444.19162	0.6
445.19904	14.5
446.20569	4.9
447.21686	5.0
448.22678	0.4
458.21567	0.4
459.21420	4.4
460.22528	13.2
461.23224	11.5
462.20050	0.5
463.20883	0.6
473.23819	2.8
474.24146	0.8
476.25684	1.3
477.22937	1.0
487.24927	1.2
489.26788	0.7
491.24338	1.2
492.24982	0.7
505.21832	4.7
515.24628	0.5
518.22595	0.7
519.24011	0.8
533.25421	38.6
534.25568	2.4
547.26770	0.5
564.23077	0.6
565.28308	0.8
575.26434	0.6
593.27502	100.0
594.27606	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2755
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
65.02499	0.2
71.22571	0.2
71.45395	0.4
73.43384	0.2
82.01645	0.2
90.42938	0.2
92.63380	0.2
92.81310	0.2
128.57681	0.2
204.06673	0.2
207.09120	0.2
209.10661	0.4
211.12300	0.2
221.10677	0.2
231.97055	0.2
235.12325	0.3
249.14011	0.2
287.14249	0.2
297.12717	0.2
310.13290	0.2
312.14923	0.2
322.13809	0.2
375.16232	0.3
376.17291	0.3
387.16101	0.4
388.16641	1.0
389.17676	1.3
390.18274	0.5
391.19092	0.3
401.17966	0.5
402.18198	1.3
403.19159	3.8
404.19943	1.8
405.20822	2.4
406.21280	0.4
415.19229	0.7
416.15356	0.5
416.20822	1.0
417.16681	1.1
417.21347	4.7
418.16470	0.3
418.21921	2.2
419.22354	5.4
420.22852	0.5
429.21161	0.3
430.17282	1.8
431.18124	9.7
432.18564	2.5
432.23926	0.7
433.24185	6.9
434.24832	1.6
443.18265	0.4
444.19269	0.7
445.19827	11.8
446.20609	5.7
447.21722	6.2
448.22525	0.4
449.23386	0.4
458.20871	0.3
459.21417	3.7
460.22522	12.1
461.23264	10.7
462.23691	0.7
463.21259	0.7
473.23792	2.2
474.23862	0.8
476.26154	1.0
477.22238	1.4
487.25412	0.9
489.27066	0.4
491.25336	1.1
492.25412	1.2
505.21942	6.5
515.24451	0.3
518.23053	0.7
519.23492	1.2
520.24420	0.2
533.25439	25.4
534.25879	1.9
547.27087	0.3
549.21521	0.3
561.25098	0.4
564.23682	0.6
565.28137	0.5
593.27509	100.0
594.27887	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1858
Annotation	Kaempferide 3,7-dirhamnoside
Peak:m/z	Relative Intensity
53.03925	1.9
55.01869	1.7
55.05489	1.8
57.03426	7.0
67.05478	5.8
69.03414	5.9
69.03754	1.1
69.07063	3.4
69.60120	8.4
71.04982	31.6
75.04472	0.9
79.05479	5.1
81.03409	10.0
81.07034	6.2
83.04970	2.8
85.02892	27.0
86.09679	1.2
87.04456	1.1
91.05451	7.1
93.07038	3.9
95.04964	4.0
95.08597	5.5
97.02897	2.1
97.06517	4.4
99.04459	1.4
105.07021	3.7
107.04920	1.2
107.08585	2.9
109.02882	2.4
109.06481	1.6
109.10151	1.8
111.04448	2.3
111.08044	0.9
117.07013	1.4
119.04934	4.4
119.08537	4.6
120.72798	0.9
121.02854	5.7
121.06495	1.9
121.10160	2.1
123.04439	1.3
123.11694	1.1
125.09571	1.0
127.03867	2.0
129.05455	4.1
129.06972	2.1
131.08536	1.6
133.10132	1.6
135.04404	1.6
135.08064	1.5
137.05948	0.9
137.09644	1.9
141.01831	1.9
141.07021	1.2
143.08539	1.4
145.02859	2.9
145.10147	1.3
147.08090	1.3
147.11696	1.8
149.13287	1.1
151.03938	1.8
156.77106	1.1
159.04355	1.2
163.03951	5.0
163.07635	1.6
165.01808	9.0
165.09094	2.9
167.03362	1.2
173.02313	1.2
173.09622	1.0
181.01347	2.7
183.02870	6.0
183.10265	1.1
187.03912	1.5
189.05486	1.0
191.03464	1.3
197.00938	1.7
197.05916	1.3
200.87183	1.2
205.04924	1.7
215.03383	1.1
215.07085	1.3
217.04828	1.3
225.05475	1.7
233.04335	2.0
242.05659	7.0
251.05382	1.6
263.58896	1.0
267.06552	5.9
270.05145	9.8
271.05960	15.5
277.08859	1.1
279.06488	2.5
281.04498	4.3
281.08054	8.8
283.05972	100.0
284.06595	6.6
285.07523	78.3
292.87271	1.0
294.05206	1.8
295.06039	19.6
295.09583	2.9
297.03928	14.5
297.07556	13.2
299.05450	68.2
300.05682	1.4
305.08093	3.1
307.05991	10.9
308.06754	6.3
309.03894	3.1
309.07462	17.5
309.10907	2.0
311.05472	10.4
311.08884	1.5
313.07013	27.7
314.07318	1.2
323.05450	13.4
323.09131	49.2
324.06097	1.4
325.06879	3.1
327.08575	1.2
329.06592	2.6
333.07422	7.8
335.05289	2.2
335.09164	2.1
337.03323	6.5
337.07114	6.5
343.08099	2.7
351.08569	45.2
353.06506	3.8
355.04019	2.3
361.07104	5.7
365.10236	1.9
367.08054	1.4
369.09619	4.0
379.08060	83.3
380.08511	1.7
393.09641	12.8
397.09113	58.9
401.10330	1.9
401.15762	1.2
411.10678	31.6
413.12363	1.6
415.10199	47.3
429.11737	15.5
431.24118	1.5
446.11209	1.1
447.12836	23.2
501.22818	1.3
557.27905	1.4
593.29254	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1856
Annotation	Flavocummelin
Peak:m/z	Relative Intensity
55.05489	0.9
57.03426	7.5
65.80672	0.8
69.03419	15.1
70.29035	2.4
71.04980	33.6
73.02879	1.1
75.04465	1.3
81.03398	2.6
81.07034	1.3
83.04944	1.5
85.02893	35.9
97.06507	1.5
97.57549	0.8
98.20782	1.2
101.63702	0.9
107.04909	1.3
109.02918	0.9
111.04420	2.0
123.00790	1.0
129.05452	6.8
135.04398	1.1
149.05962	1.7
151.03885	9.2
161.05974	1.0
163.03816	1.5
165.01802	3.8
167.03392	1.5
175.03928	2.2
183.02875	2.6
191.03423	1.2
193.04927	1.1
195.02919	1.3
201.05447	1.0
217.04900	1.3
231.51836	1.1
254.05832	1.1
259.05893	1.4
270.05399	1.4
271.05875	1.6
282.05252	3.6
285.07571	1.3
286.04718	2.2
296.06693	14.5
297.07538	3.6
298.04706	10.8
299.05231	2.0
300.06180	6.3
301.07010	6.4
308.06750	1.5
310.04645	3.3
311.09070	6.4
312.06256	4.1
313.07019	48.5
314.07635	5.9
322.08334	3.3
324.02521	1.5
324.06229	19.9
325.07028	10.7
326.07587	1.7
327.08716	6.6
327.64673	1.0
328.05716	15.3
332.06564	1.3
334.08441	1.5
336.06216	3.2
337.07166	1.5
338.07904	1.3
339.08585	27.9
341.10046	3.8
343.08075	82.5
344.08301	1.0
348.75745	1.1
349.10559	2.3
350.07785	13.2
351.08505	7.3
352.05582	1.9
353.06381	1.4
355.07809	2.7
360.06198	1.3
365.10144	14.2
367.08063	86.3
368.08560	1.9
369.09647	4.6
375.08517	1.9
378.07303	10.4
383.10980	1.4
393.09619	50.1
411.10690	96.3
412.10855	1.6
429.11743	30.7
447.12790	100.0
448.12939	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.186
Annotation	Torosaflavone B 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.18561	0.8
55.01878	1.1
57.03425	7.4
61.31318	0.8
66.72372	0.8
67.05498	2.1
69.03419	16.0
69.62160	6.4
69.62581	2.1
71.04988	28.6
72.08108	1.1
73.02878	1.0
75.04468	1.4
79.05479	2.7
81.03397	3.2
83.04992	1.7
85.02896	31.2
86.09676	1.3
87.04466	1.3
91.05454	5.2
93.07043	1.5
95.04959	1.7
95.08617	1.6
97.06533	1.2
105.07043	2.1
107.04928	2.2
111.04455	1.5
119.08569	4.0
123.04352	1.3
129.05498	4.8
135.04373	1.6
137.02322	1.1
137.09615	0.9
141.01839	2.0
145.02861	1.0
147.08031	1.8
148.08812	2.9
149.02322	1.2
149.05963	2.9
151.03880	9.7
153.01808	1.2
159.04419	1.1
161.02298	1.8
161.05963	1.6
163.03894	5.3
165.01802	7.7
165.09068	1.5
167.03487	1.3
173.02332	5.3
175.03888	3.1
177.01906	1.5
177.05400	1.0
179.03369	2.5
183.02873	3.8
187.03833	5.0
189.01752	1.1
191.03340	2.4
195.02838	2.1
199.03932	1.5
201.05444	2.3
203.03375	1.7
205.04947	1.1
207.02844	1.7
215.07050	2.8
217.04964	2.5
227.06731	1.0
229.04910	1.4
257.08298	1.3
259.06027	1.9
270.05228	1.8
271.05963	2.3
280.07181	1.5
282.05292	2.7
284.06827	3.2
286.04633	2.7
296.06763	8.8
297.07434	4.7
298.04718	21.8
298.08047	1.9
299.05450	1.7
300.06085	6.2
301.07019	7.6
303.04868	1.5
308.06750	9.6
309.07614	1.9
309.11136	3.6
310.04630	4.6
310.08157	1.7
311.05746	1.5
311.09027	4.4
312.06235	9.1
313.07025	100.0
314.07581	7.5
320.06570	1.0
322.08331	3.3
323.09018	1.6
324.06229	15.8
325.06998	8.8
326.07724	7.8
327.04993	2.1
327.08588	28.0
327.12250	2.8
328.05740	16.3
329.06552	1.4
336.06235	23.1
337.06989	5.5
337.10587	1.2
338.07849	4.2
339.04764	1.1
339.08615	21.3
341.06552	2.0
341.10147	10.8
343.08078	80.2
344.08575	1.2
349.10660	2.1
350.07803	9.8
351.08594	35.1
353.06348	1.6
353.10165	11.6
355.07950	2.3
357.09671	11.1
362.07758	1.5
365.10104	11.7
367.08008	31.4
367.11884	4.2
369.09692	24.4
375.08395	1.4
377.10022	3.4
378.07257	8.3
383.11191	1.0
385.09143	1.4
393.04474	1.9
393.09610	35.9
395.11331	25.6
401.15808	1.4
411.10715	82.5
412.11172	1.9
413.12286	57.2
419.11227	1.3
429.11871	26.4
431.13315	24.0
447.12830	55.3
489.13843	3.2
519.14819	1.2
531.14795	3.6
557.12695	1.2
575.17700	11.4
593.18549	9.3
593.27704	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1854
Annotation	Torosaflavone B 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
61.10393	0.7
61.38082	0.7
67.05492	0.8
69.03411	5.6
70.06577	1.7
70.99096	0.7
70.99455	2.2
72.08125	1.1
78.15206	0.7
81.03403	1.8
87.81053	0.7
91.05459	2.2
93.03384	0.9
95.04918	1.3
107.04902	1.0
119.08544	0.7
121.64222	0.8
137.48361	0.7
148.08763	2.0
149.05966	2.7
151.03883	4.0
153.39203	0.7
159.04405	0.7
163.03868	2.5
165.01784	8.0
173.02330	1.0
175.03964	3.6
179.03384	3.2
183.02898	4.1
183.04182	0.8
187.03812	2.1
191.03415	1.6
193.04922	1.0
201.05397	0.7
203.03291	1.3
207.02888	1.5
209.04366	1.4
247.06111	0.8
259.05899	2.6
270.05157	3.5
280.07166	1.2
283.06314	0.8
284.06717	7.8
286.04694	3.1
290.05673	0.8
296.06717	3.5
297.07733	1.0
298.04724	23.0
298.08240	2.7
299.09018	0.9
300.06293	1.5
301.07022	21.1
306.15335	0.8
308.06778	17.0
309.07578	0.9
309.10977	1.7
310.05093	0.9
310.08328	3.9
311.05450	0.9
311.08932	1.5
312.03104	0.6
312.06219	24.3
313.07025	100.0
318.05109	0.9
320.06833	0.9
323.09167	3.2
324.06302	8.3
325.06979	4.2
325.10403	0.7
326.07779	9.4
327.05191	2.7
327.08578	56.4
329.06448	1.1
334.08356	2.1
336.06244	34.6
337.07059	9.6
338.07755	7.7
339.08585	17.7
341.10132	16.0
351.08578	53.4
352.09198	2.2
353.05835	0.9
353.10165	18.6
355.07629	0.9
357.09668	20.0
362.07764	2.5
367.11737	8.3
369.09644	39.9
371.11526	1.1
377.10184	6.1
395.11224	47.4
396.11261	0.7
401.15710	1.7
413.12262	97.3
431.13345	31.5
463.12286	5.1
484.15048	0.8
489.14023	4.5
519.14990	3.6
531.14868	9.2
557.16644	2.2
575.17560	29.0
593.18628	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1858
Annotation	Torosaflavone B 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.11579	0.9
54.88714	0.9
55.01857	1.5
56.69723	1.0
57.03414	1.4
61.02927	1.3
64.45441	1.0
69.03419	8.2
71.04978	2.2
71.07448	2.1
71.07813	1.1
79.34678	0.9
81.03400	4.1
85.02895	8.1
87.04447	1.5
90.15153	1.0
93.03436	1.3
95.05005	1.6
97.02886	5.9
109.02902	1.1
121.06599	1.0
125.52926	1.0
127.03890	3.3
137.02368	1.1
141.90312	1.0
145.05002	1.4
149.05989	2.1
151.03889	3.2
163.03906	2.1
165.01837	7.7
173.02333	2.0
175.03911	2.6
179.03381	3.1
183.02853	3.9
187.03836	1.7
191.03368	1.5
193.05003	1.3
207.02852	2.5
209.04364	1.7
227.49934	1.0
238.93068	1.0
239.10828	1.0
259.06039	2.1
261.02863	1.1
270.05231	2.6
280.07169	2.0
284.06702	7.8
286.04733	3.8
296.06766	3.7
298.04749	23.4
298.08130	2.5
299.05457	3.9
300.06305	1.6
301.06992	19.9
308.06769	15.1
309.07727	1.5
310.08279	3.2
311.05441	2.0
311.09045	1.7
312.02884	1.3
312.06226	19.7
313.07019	97.4
314.07700	1.8
315.04794	2.2
323.05545	1.9
323.09164	2.9
324.06342	7.4
325.07050	3.6
325.10678	1.8
326.07785	8.8
327.05182	2.2
327.08575	52.0
327.11969	2.4
329.06479	5.2
334.08136	1.7
336.06247	27.1
337.07077	6.6
338.07758	7.6
339.04739	1.6
339.08572	20.6
339.12555	1.5
341.10074	14.8
345.13297	1.3
351.08588	45.4
352.09280	2.7
353.10193	16.9
357.09616	21.2
362.07959	2.9
367.11823	7.6
369.05127	1.9
369.09668	38.6
377.10107	6.5
395.11346	37.1
401.15842	1.5
413.12277	100.0
429.08057	1.9
431.13391	59.3
447.09360	1.8
491.18661	1.1
531.14178	1.1
557.12958	1.5
575.16998	2.9
593.18823	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
55.01865	20.0
55.05502	8.8
57.03429	5.1
67.05497	33.3
69.03417	40.1
69.07063	6.9
71.04988	12.2
71.75043	3.5
73.02911	9.7
79.05482	40.6
81.03413	37.8
81.07052	39.5
82.13770	3.2
83.08609	6.6
85.02892	19.3
91.05453	16.7
93.07032	45.7
95.04960	8.7
95.08602	28.6
97.02877	35.9
97.06469	2.8
97.10142	3.5
99.04443	62.1
99.05051	4.5
99.08110	3.3
101.02380	3.3
105.07036	16.2
107.08566	16.6
109.02871	42.0
109.10143	15.6
111.04436	4.6
117.07024	4.0
119.08560	11.6
121.10130	31.5
123.11693	6.7
127.03897	100.0
131.08560	9.1
133.10091	13.0
135.08020	2.6
135.11681	11.6
137.09615	2.3
137.13234	2.6
139.11066	2.6
145.04942	14.7
145.06400	2.1
145.10123	6.1
147.11678	9.8
149.13243	7.9
157.10098	3.9
159.11694	8.8
163.11150	3.4
173.13229	4.4
187.14894	2.7
191.10500	2.4
193.45898	2.3
213.16367	4.7
215.17964	15.4
231.17455	4.7
233.18936	15.1
249.18477	9.2
251.20082	5.9
373.64273	2.4
377.23145	8.4
395.24316	36.4
407.68832	2.6
529.95667	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
55.05488	6.8
57.03414	6.8
57.07071	25.5
67.05500	39.0
69.07062	8.4
71.08613	19.0
71.20618	4.5
71.20963	2.3
79.05489	22.4
81.06599	3.7
81.07047	53.8
81.07525	3.1
83.08595	8.2
85.10143	11.9
91.05455	13.2
93.07027	27.6
95.04941	2.5
95.08591	40.7
97.10170	4.2
105.07019	8.4
107.08584	16.8
109.10133	24.7
112.35504	2.5
116.06236	2.6
117.06998	5.7
119.08561	7.1
121.10134	14.5
121.58238	2.1
121.65274	2.0
123.11669	8.4
131.08549	9.0
133.10091	7.6
135.11702	10.8
137.13184	4.9
139.03488	2.4
145.10094	5.9
147.11685	7.6
149.13228	9.2
159.11676	5.6
161.13231	5.5
163.14775	5.2
173.13232	7.2
175.14702	2.4
177.16405	2.1
187.14841	3.6
239.23740	6.0
243.21169	12.8
261.19244	2.9
261.22086	58.3
313.27338	100.0
314.27765	2.4
317.24631	12.3
335.25735	54.4
573.48578	16.3
591.49677	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	9.1
55.01852	10.1
55.05497	11.8
57.03431	18.3
57.65392	2.4
61.02616	3.8
61.02918	70.1
67.05489	23.4
69.03419	33.8
69.07056	3.9
70.06580	3.1
71.01326	6.8
71.04962	4.3
71.74603	4.9
73.02914	29.7
75.04469	2.7
79.05487	24.8
81.03408	93.6
81.07027	16.5
83.04959	10.7
83.08612	14.8
84.08120	2.7
85.02376	5.0
85.02896	100.0
86.09686	5.0
87.04466	2.3
91.03946	50.9
91.04946	3.1
91.05460	24.5
93.07032	15.5
95.01290	2.6
95.04388	4.3
95.04958	56.7
95.08595	6.1
97.02879	79.2
97.06505	5.5
97.10156	2.6
99.04443	13.2
101.02355	9.3
103.03943	13.2
105.07006	17.6
107.04973	16.0
107.08562	12.3
109.02872	19.8
109.06488	9.1
109.10107	5.2
111.04424	10.4
111.08041	6.2
113.02298	2.9
115.03888	5.7
115.05447	2.9
117.05517	2.9
117.06969	7.2
119.04933	3.4
119.08558	13.1
121.06476	10.1
121.10128	7.8
123.04422	25.5
123.08072	6.1
125.09607	3.2
127.03909	34.6
129.05531	3.5
129.07001	9.9
131.04935	4.5
131.08551	11.7
133.06474	6.0
133.10098	6.0
135.04398	4.7
135.08047	4.7
135.11682	6.5
137.05917	6.5
143.08521	6.1
145.04930	18.5
145.06387	5.2
145.10078	9.0
147.04393	13.2
147.08022	7.1
147.11642	12.5
149.05954	7.5
149.09555	6.6
153.09082	2.8
153.10248	2.6
157.10126	7.1
159.08138	2.9
161.05943	5.9
161.13174	2.5
163.05965	2.9
163.11176	12.2
165.12729	3.9
171.06584	3.1
171.11560	4.2
173.05927	3.5
173.09486	3.5
175.11140	6.9
181.06456	2.4
183.06444	6.7
189.05428	5.7
189.12726	6.6
191.10687	3.2
191.14252	2.6
193.12212	30.9
199.07582	3.2
199.11270	3.0
201.07492	4.6
207.13834	5.9
211.13261	27.2
213.12573	3.4
217.12177	6.6
223.13196	3.3
229.14200	3.2
235.13258	51.4
241.12064	2.7
249.14833	11.0
253.14420	5.6
259.13284	17.3
261.03113	2.8
267.15881	33.4
273.14807	21.7
277.14307	9.7
283.13208	5.0
285.16916	13.3
289.14197	3.3
291.15619	3.1
299.05481	4.9
301.11612	3.0
301.14380	28.2
303.05148	2.9
309.16928	34.1
319.15298	10.8
333.16959	4.1
337.16391	5.3
351.17838	7.6
363.17944	4.4
375.18005	29.6
393.18997	24.5
411.20316	17.5
417.18997	5.1
429.21255	12.0
537.22742	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2596
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
52.85871	0.6
66.86155	0.5
67.05500	0.9
69.07047	0.7
81.07041	1.3
91.05485	1.0
95.08597	0.8
109.10145	0.7
111.88513	0.6
119.08568	0.6
400.17050	0.8
401.17566	1.2
402.18674	1.4
413.17163	0.8
414.18423	1.8
415.19122	7.1
416.20023	3.5
417.20880	1.4
428.20016	1.6
429.20972	10.1
430.21561	8.3
431.22339	2.5
433.23795	1.1
435.22437	0.7
442.21838	0.8
443.22870	3.3
444.23645	9.6
445.24127	7.1
446.24756	0.7
448.26306	1.7
457.20142	2.1
458.24881	1.8
459.20743	1.9
459.25525	5.4
468.36743	0.7
471.21619	0.9
472.22580	3.5
473.23352	7.9
474.24191	2.7
475.25327	1.0
485.23416	1.8
487.24921	26.1
489.22891	2.6
500.22702	0.8
503.24316	2.5
515.24597	0.7
517.22894	0.9
531.23895	14.6
532.24463	5.4
591.25977	100.0
592.26349	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1699
Annotation	3'-O-Methylmaysin
Peak:m/z	Relative Intensity
51.23111	1.1
56.65877	1.0
57.03437	6.9
60.71606	1.2
64.70946	1.1
71.04983	49.9
71.19347	2.7
73.02885	1.6
83.04982	1.1
85.02896	44.1
93.29620	1.2
103.03931	1.4
111.04453	1.8
111.93918	1.0
129.05431	6.8
147.03249	1.1
147.06494	1.7
149.05954	1.8
151.03899	3.1
165.01805	9.9
183.02907	3.3
187.03876	1.6
188.44775	1.2
255.41336	1.2
270.05179	4.0
282.05411	1.9
284.06741	1.3
286.04651	2.7
294.05225	3.1
296.06815	4.6
297.07208	1.6
298.04703	20.6
299.05405	2.0
300.06192	2.1
301.07019	11.6
309.07684	1.9
310.04663	4.0
310.08295	3.5
311.09109	5.1
312.06235	7.3
313.07022	89.2
314.07721	6.9
322.04880	2.4
324.06207	6.9
325.06982	11.4
327.05167	1.7
327.08582	11.0
328.05750	7.0
329.06543	3.6
337.07108	12.3
338.04260	2.4
338.07742	9.7
339.04825	2.6
339.08615	15.1
341.06421	4.6
341.10077	2.3
343.08081	30.3
348.06058	1.9
353.06436	7.4
353.10208	19.0
355.08197	3.5
361.07739	1.4
363.08582	3.9
365.06467	3.5
366.07382	2.8
367.07941	9.1
381.09644	20.1
383.07550	9.2
391.08093	2.9
394.06808	3.5
399.10565	4.5
409.09097	57.6
410.09262	2.0
427.10211	100.0
428.10638	2.5
445.11267	63.4
446.11658	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57014	0.9
55.01863	0.9
56.64222	0.8
57.03428	7.3
70.19939	4.3
71.04983	40.3
72.96230	0.9
74.37505	0.8
75.04472	2.0
81.03382	1.9
85.02893	35.8
87.04456	1.3
89.10519	0.9
99.04394	1.0
111.04411	0.9
111.22794	0.9
127.03841	0.8
129.05437	5.9
149.05942	2.2
151.03879	2.9
163.03874	1.4
165.01814	8.8
179.03336	1.0
183.02905	5.3
268.07190	1.3
270.05136	2.8
271.06015	1.2
281.08331	1.2
282.05240	3.5
284.06757	2.2
286.04596	3.7
294.05042	3.0
296.06760	8.4
297.07538	2.3
298.04675	22.9
299.05286	1.3
300.06177	2.6
301.06989	13.0
309.07538	3.1
310.04642	6.6
310.08328	4.1
311.05692	1.4
311.09030	7.0
312.06223	7.6
313.07025	93.3
314.07693	7.2
320.06674	1.8
322.04700	3.6
324.06189	9.0
325.07004	15.8
326.04132	1.3
326.07727	1.2
327.04977	1.2
327.08560	13.1
328.05740	6.2
337.07007	13.8
338.04224	2.1
338.07739	10.0
339.04703	2.2
339.08594	21.9
340.05347	1.0
341.06458	6.3
341.10193	2.1
342.07178	2.0
343.08063	30.2
343.12259	1.5
348.06232	2.5
352.05609	1.1
353.06357	7.7
353.10147	18.2
355.08197	3.6
363.08578	5.4
365.06442	3.5
365.10574	1.1
366.07278	4.4
367.08029	11.3
381.09637	24.8
382.09930	1.5
383.07645	7.2
391.08005	3.5
394.06866	4.0
399.10587	3.9
407.82623	1.0
409.09137	51.0
410.09454	2.1
427.10199	100.0
428.10443	3.5
445.11252	77.0
446.11560	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45626	0.2
53.03933	0.9
55.01855	0.6
55.05501	3.7
56.05008	0.3
57.03433	0.6
57.07061	0.3
59.04978	0.3
61.02909	0.4
62.06078	0.7
67.05487	0.9
69.03419	3.0
69.07040	0.8
69.36005	0.3
70.06577	0.6
70.20920	0.3
71.04973	1.2
71.08634	3.5
71.48320	0.3
72.08126	0.8
73.02884	0.7
79.05458	0.8
81.03409	4.2
81.07052	2.0
83.04971	3.6
83.07325	0.4
85.02895	4.2
85.06519	0.3
85.99687	0.3
86.06055	14.0
87.00806	1.3
91.05466	0.8
93.07031	0.8
95.04962	0.7
95.08595	1.2
96.08120	3.7
97.02872	1.7
97.06514	0.8
98.06046	1.0
98.09679	8.4
99.04424	1.0
99.08086	2.5
101.06009	2.8
105.01822	0.7
105.07021	0.6
106.91590	0.3
107.02218	0.3
107.08564	0.7
108.08108	0.8
109.02872	2.6
109.06494	0.3
109.10112	0.6
111.04424	4.7
111.08067	0.5
112.07581	0.4
114.09215	0.3
116.10716	20.3
117.01851	0.4
119.08553	1.3
121.08873	0.4
121.10101	0.4
122.09632	0.8
123.08036	0.3
124.07566	1.0
127.03011	0.4
127.03902	4.9
129.01843	0.3
129.05447	1.7
129.06990	0.3
131.67900	0.3
134.09612	0.8
136.11163	0.4
137.09607	0.6
138.09099	0.3
140.10654	0.4
142.08614	9.2
142.12238	0.9
143.10660	4.4
144.89180	0.3
145.04921	0.8
145.10149	0.4
147.02873	0.4
147.08026	0.4
148.11212	0.5
149.09581	0.4
150.12766	0.4
154.08591	0.5
154.12172	0.4
155.07022	1.1
159.02859	0.9
162.12723	0.9
164.10721	4.0
172.11179	0.3
173.08072	1.1
178.12312	0.4
180.13835	1.1
182.15405	4.1
184.13260	0.9
190.12283	3.2
196.13342	0.4
196.16963	0.4
198.14902	2.2
208.13306	6.5
213.03894	0.5
214.16060	0.6
214.18001	6.9
216.66287	0.3
226.14354	30.9
227.14708	0.5
231.05020	1.5
244.15416	100.0
245.15833	1.5
313.06989	0.7
324.21725	1.7
329.12262	0.8
331.57736	0.3
338.07208	0.3
342.22717	15.5
343.07794	0.4
347.13629	0.4
360.25983	0.3
406.20627	0.5
427.10175	0.6
448.21771	0.8
462.23007	0.4
474.19510	1.1
492.20703	11.8
493.21429	0.4
528.27411	0.4
544.05219	0.3
572.26794	0.9
590.28131	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01853	0.8
55.05507	2.9
57.03411	1.0
59.04998	0.4
60.57368	0.3
61.02903	0.3
61.54873	0.3
67.05498	0.9
69.03420	3.1
69.07056	0.7
70.06565	0.5
70.94304	0.7
70.94643	0.5
71.04991	3.1
71.08627	3.4
72.08131	0.6
73.02900	0.8
79.05470	1.1
79.06586	0.3
81.03408	3.1
81.05807	0.3
81.07014	1.3
81.77085	0.3
83.04961	3.4
83.07341	0.4
85.02898	6.2
86.06059	11.4
87.00804	1.4
91.05453	0.8
93.07021	0.6
95.04952	0.7
95.08585	1.0
96.08116	3.5
97.02876	1.2
97.06540	0.4
98.06047	0.7
98.09686	7.9
99.04429	1.1
99.08073	3.0
101.06007	2.9
104.06258	0.3
107.08551	0.9
108.08089	1.1
109.02869	2.9
111.04430	3.7
112.07628	0.3
114.33404	0.3
116.10716	19.7
119.08543	1.4
121.08766	0.4
121.10166	0.5
122.09677	0.7
124.07595	0.8
127.03892	4.2
129.01807	0.5
129.05435	1.6
131.08496	0.4
134.09639	0.9
135.10434	0.4
136.11240	0.5
137.09630	0.7
138.12801	0.4
142.08617	9.2
142.12267	0.6
143.10649	3.4
145.04962	0.8
148.11064	0.6
152.10620	0.6
154.08443	0.4
155.06981	1.6
159.02881	0.8
162.12805	0.5
164.10719	4.3
165.01849	0.5
165.09032	0.4
173.08092	1.0
180.13806	0.6
182.15385	4.5
183.02890	0.4
184.13286	0.5
190.12247	3.4
196.13252	0.5
196.16895	0.4
198.14822	1.9
208.13303	5.5
213.03935	0.6
214.18004	4.3
226.14355	29.2
227.14635	0.7
231.04990	1.1
244.15424	100.0
245.15773	2.1
298.04599	1.3
299.04956	0.9
300.06253	0.5
301.06934	1.1
302.07446	0.3
311.78824	0.4
312.06134	0.5
313.03342	0.5
313.06973	6.5
314.07443	3.6
315.07776	0.5
319.71237	0.4
324.21732	2.2
325.06989	0.6
326.07419	0.8
327.04907	0.7
327.08441	0.8
328.05457	0.8
329.12247	0.8
337.06924	0.4
339.08453	0.9
342.10580	0.4
342.22736	14.2
343.08127	1.3
343.23099	0.4
347.13501	0.5
352.09082	0.5
353.10135	0.7
367.08029	0.8
381.09659	0.5
383.07825	0.4
389.72736	0.4
399.10880	0.4
406.20685	0.5
409.09143	2.6
425.08624	1.6
426.08945	4.3
427.10205	4.5
436.64108	0.4
443.09811	1.8
444.10168	5.6
445.11151	2.7
448.21521	0.7
465.83478	0.4
474.19449	0.9
492.20743	11.5
499.41290	0.4
531.74432	0.4
546.29224	0.4
572.26471	0.8
590.28333	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75016	2.4
55.05504	16.1
57.03431	9.3
57.07070	47.3
66.61431	2.2
67.05499	38.0
69.07058	15.4
71.08625	32.5
71.75356	2.3
79.05492	26.3
81.07044	40.8
83.08613	14.3
85.06573	3.0
85.10170	15.5
91.05476	33.5
93.07033	37.0
95.04942	5.2
95.08595	45.8
97.06511	3.0
97.10158	6.1
105.07024	32.4
107.08585	14.5
109.10151	20.4
117.07014	8.5
119.08568	35.6
121.10172	11.7
123.11716	7.2
129.07016	5.7
131.08548	13.8
133.10109	25.5
135.11703	15.1
143.08511	3.6
145.10133	12.8
147.11673	26.2
149.09573	2.4
149.13254	8.9
157.10114	6.1
159.11690	10.9
161.09656	2.8
161.13239	25.2
163.14798	4.4
171.11676	8.7
173.13275	9.6
175.14867	13.3
176.49535	2.9
181.65530	2.7
185.13260	6.9
187.14850	3.7
199.14862	5.7
231.21115	4.8
239.23654	6.7
241.19449	27.5
257.24554	2.3
259.20578	70.5
271.33258	2.1
277.21671	7.0
313.27344	100.0
315.23193	7.3
333.24246	40.0
357.64984	2.0
548.57776	2.9
571.46954	7.1
589.48352	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.05506	20.6
57.03424	10.7
57.07071	48.5
67.05180	3.7
67.05502	48.7
69.07056	20.1
69.45485	30.2
71.04964	3.1
71.08630	28.9
79.05483	38.8
81.07046	57.1
83.08615	16.4
85.06514	3.8
85.10181	17.0
88.38759	2.8
91.05472	48.9
91.06013	3.8
93.07035	41.4
95.04939	6.9
95.08594	48.4
97.10143	9.9
99.08078	5.8
105.07019	58.2
107.08598	21.9
109.10153	22.0
111.11743	3.0
116.09016	2.7
117.07015	11.8
119.08572	55.8
121.10116	16.0
123.11694	6.5
129.06970	10.1
131.08559	19.5
133.09142	4.4
133.10115	40.5
135.11705	16.4
143.08534	7.9
145.10121	19.2
147.11661	45.2
149.09535	3.2
149.13231	10.5
157.10114	10.5
159.11662	17.9
161.13264	44.0
163.11150	3.5
171.11664	12.6
173.13248	9.0
175.14848	14.1
185.13246	11.2
187.14807	5.5
199.14783	7.1
213.16470	3.3
231.21083	13.5
239.23695	6.2
241.19492	44.8
259.20557	100.0
259.23282	6.0
277.21606	10.0
278.12466	2.6
313.27322	96.6
315.23248	5.8
331.13992	3.0
333.24219	55.6
429.65237	3.3
497.43549	4.9
570.92609	3.2
571.47095	12.8
589.47864	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1546
Annotation	Dalmaisione C
Peak:m/z	Relative Intensity
57.03386	1.4
60.08319	0.6
65.03899	0.7
66.78653	0.6
67.05465	0.8
69.03355	2.6
70.94452	1.7
71.04979	6.1
71.07737	0.6
79.05379	0.6
81.07011	1.0
85.02898	6.8
95.08484	0.6
97.02825	1.4
97.06488	0.7
111.04321	0.7
121.66164	0.6
129.05409	1.0
141.01750	0.9
149.02399	0.6
149.05872	2.8
151.03854	5.2
163.00208	1.4
163.03822	0.6
165.01799	5.9
167.03326	0.9
168.85030	0.7
175.03828	1.3
181.01212	0.7
183.02934	2.9
189.01801	0.9
190.99680	1.8
195.02892	1.3
197.00668	0.9
203.03300	0.8
205.01247	1.2
207.02798	1.8
209.00700	2.3
221.04395	0.9
223.02272	2.0
228.20497	0.7
231.02733	0.7
249.03848	0.8
258.05115	1.1
259.02145	0.7
270.05176	2.4
271.06119	1.0
277.03235	1.4
282.05191	4.6
284.03439	0.8
284.06763	2.8
286.04663	3.9
296.03116	1.5
297.07495	1.7
297.95496	0.7
298.04706	16.6
298.08078	0.8
299.05505	0.9
300.06363	3.5
301.07065	10.0
308.06711	3.2
309.07379	0.8
310.04669	8.8
311.05551	3.2
312.02631	3.1
312.06229	9.7
313.07028	69.3
314.04135	2.9
314.07663	3.5
322.04742	1.0
324.02631	3.2
324.06030	1.0
325.03375	1.8
325.06961	13.0
326.04120	6.9
326.07864	3.1
327.04880	11.3
327.08585	14.3
328.05704	7.1
329.06500	15.5
336.06216	5.1
337.07028	5.5
338.04138	2.7
339.04941	26.4
339.08960	1.5
340.05682	12.0
341.06540	24.5
341.10284	4.6
343.08084	18.1
345.05856	0.7
351.08618	8.6
353.06494	12.9
353.10391	1.2
354.07050	0.8
355.08020	4.6
357.06091	1.3
364.05664	2.9
365.06686	0.9
369.05450	3.6
369.09863	5.5
371.07526	4.8
379.08066	12.0
381.09497	1.2
382.06927	0.8
383.07498	3.9
397.09131	4.5
399.10696	2.4
401.08356	0.8
407.07617	5.8
410.06378	3.5
425.08633	100.0
426.08948	2.8
443.09692	97.6
444.10092	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
55.05495	2.0
57.03423	3.5
67.05492	2.8
68.42455	0.7
69.03417	3.5
69.07073	1.9
70.06592	1.3
71.04987	16.3
71.14552	1.2
71.14874	1.3
72.08157	0.8
75.04456	1.0
79.05495	1.8
81.03402	2.3
81.07052	5.3
82.40051	0.8
83.04974	0.8
85.02893	19.5
86.09706	0.9
87.04446	1.2
91.05487	1.9
93.07018	1.7
95.04948	1.3
95.08603	2.9
97.02918	1.7
97.06522	1.8
105.06994	1.4
107.08600	1.8
109.02869	1.4
109.10159	2.5
111.04429	1.3
111.08075	1.5
119.08530	1.5
120.71789	0.8
121.10114	1.0
123.11653	0.9
127.03857	1.0
129.05499	2.8
133.28830	0.8
141.01845	1.0
149.05969	1.9
151.03883	4.6
163.03874	1.2
165.01813	6.2
167.03351	1.0
169.42819	0.8
183.02863	3.5
189.01889	1.1
197.00815	1.8
208.83452	0.8
221.04465	1.7
236.63214	0.8
257.04437	1.2
258.05130	1.5
259.05591	1.1
270.05325	2.0
282.05286	1.0
284.06693	1.7
286.04718	7.6
287.05377	1.0
298.04697	19.8
300.06277	2.8
301.06979	14.6
308.06723	1.0
309.07657	1.5
310.04727	3.4
312.02658	3.9
312.06268	5.0
313.07022	87.3
314.04242	1.2
314.07611	1.9
323.25720	1.4
324.06131	0.9
325.06982	7.7
326.04248	2.0
326.07797	3.1
327.04953	13.8
327.08698	6.2
328.05753	2.4
329.06564	4.3
336.06201	3.8
337.06805	3.9
338.04236	1.5
339.04980	0.9
341.06543	12.5
341.10312	4.3
343.08109	8.8
351.08569	10.0
353.06516	5.4
355.08057	3.3
357.05728	1.0
364.05801	1.5
369.05759	4.4
369.10028	4.3
370.44482	0.9
379.07980	3.8
382.06952	0.9
383.07550	5.4
397.09015	2.4
401.08789	1.2
407.07465	5.1
409.09262	6.4
410.06271	4.1
425.08633	73.9
426.09119	1.6
427.10367	1.8
443.09677	100.0
444.09933	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19777	2.0
51.84719	2.3
52.22344	2.4
53.03924	3.7
55.05502	27.7
57.03426	7.8
57.07053	8.4
62.38710	2.4
65.03915	2.8
67.05133	3.0
67.05499	51.6
69.07061	27.6
70.66699	6.4
71.04976	3.0
71.08620	5.4
77.14510	2.2
79.05482	29.9
81.07043	57.9
83.08627	12.8
85.06531	3.7
91.05468	25.2
93.07031	35.4
93.07569	2.9
95.04948	5.1
95.08596	43.4
97.10152	9.0
99.08067	4.7
105.07027	23.5
107.08575	22.4
108.64450	2.3
109.10147	17.4
111.08116	4.5
111.11729	2.5
117.07004	8.3
119.08581	25.2
121.10132	20.2
123.11698	10.4
129.07036	3.1
131.08588	18.0
133.10109	19.0
135.11679	19.3
143.08577	4.5
145.10104	14.1
147.11693	17.8
149.09586	2.7
149.13251	10.2
151.14787	2.9
159.11681	9.0
161.13251	10.9
163.14763	5.0
169.10139	3.0
171.11687	5.9
173.13292	7.6
175.14807	5.2
179.14302	5.0
187.14784	7.6
188.76379	2.8
203.17964	3.4
215.18004	5.6
217.19435	3.4
233.19049	4.7
241.19687	3.2
261.22101	8.5
265.14014	2.7
275.20007	3.4
309.24316	8.2
311.25632	3.7
333.24237	4.0
335.25867	5.0
385.77695	2.6
389.12744	2.2
477.41187	3.0
495.41965	11.2
569.45636	14.7
587.46643	100.0
588.46613	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.6
55.05507	25.4
55.76477	2.5
57.03435	6.0
57.07064	6.6
63.09859	2.4
65.37698	2.8
67.05495	45.8
69.07059	24.6
70.87321	6.6
71.04996	2.8
71.08614	10.2
79.05476	22.4
81.07050	41.1
83.04956	3.6
83.08601	17.3
85.06516	2.8
85.10166	2.3
91.05470	16.4
93.07036	29.8
95.04951	5.6
95.08596	32.8
97.06504	3.4
97.10166	11.3
99.08096	4.7
105.07008	22.2
107.08578	20.2
109.10152	17.2
117.07040	5.7
119.08583	18.7
121.10116	18.2
123.11706	4.8
129.07018	3.1
131.08533	12.0
133.10085	14.9
135.11705	13.4
137.13284	4.7
143.08481	3.0
145.10115	13.9
147.11653	11.8
149.09615	2.5
149.13268	10.3
151.11163	3.4
159.11702	7.7
161.13242	5.7
163.14787	3.9
171.11702	5.2
173.11858	2.8
173.13249	5.7
175.14865	2.6
179.14313	3.6
187.14828	4.1
217.19576	3.1
219.17393	2.5
233.18947	3.3
243.21170	2.8
259.20602	5.3
261.22165	5.6
277.21710	11.0
309.24323	5.3
311.25864	3.6
313.55316	2.8
335.25797	5.3
405.20862	2.4
495.41864	5.2
569.45673	12.3
587.46600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48528	1.1
67.41993	1.5
70.84360	1.2
71.24837	3.1
81.03381	2.1
85.02909	1.5
87.56921	1.3
87.86667	1.2
101.00893	3.8
109.02876	1.2
112.85564	1.1
112.89587	10.6
113.00872	2.3
115.02426	1.4
117.60027	1.2
119.01910	15.9
124.79526	1.2
129.00386	1.8
131.01901	15.9
133.03455	1.9
137.02977	1.7
140.06284	1.1
143.01891	16.2
145.03459	10.5
149.02899	1.2
155.01878	58.4
157.03462	6.1
161.02953	20.7
163.04578	1.2
167.01929	3.8
169.03490	2.0
171.01389	1.3
171.05031	1.7
173.02953	100.0
175.04495	2.5
179.01814	2.9
185.02946	33.0
187.04524	4.4
189.00743	1.3
189.02367	2.0
191.04086	1.6
196.04523	4.3
197.02946	12.2
199.04471	2.7
203.03964	11.7
209.02910	7.2
215.04015	6.8
221.02950	4.5
221.05055	2.3
227.03938	8.6
233.05127	2.4
239.03938	14.3
244.78386	1.6
245.05051	86.2
254.90715	1.2
257.05054	29.0
261.02802	1.8
263.06161	1.6
268.81824	2.4
269.04971	8.6
271.20496	1.1
275.06116	2.9
286.07504	1.5
287.06189	6.8
298.91772	1.3
299.06161	3.5
304.92963	2.2
305.07147	73.5
306.07443	1.8
317.07254	7.8
323.08087	1.8
328.83572	1.5
329.07196	10.7
341.07056	1.4
347.08224	61.1
348.08270	1.3
359.08179	2.9
365.09235	7.9
377.09088	1.7
383.10562	1.5
389.09070	2.4
407.10336	43.1
425.11307	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21160	0.7
55.01863	1.2
55.05492	2.6
57.03435	3.2
67.05482	1.7
69.03405	1.3
69.07056	0.9
70.06587	1.0
71.01341	0.8
71.04981	5.1
71.74145	0.6
72.08138	0.6
73.02899	1.1
79.05506	0.8
81.03413	1.0
81.07035	1.6
83.04508	0.7
83.04970	10.2
85.02897	19.1
89.64383	0.6
91.05444	1.4
92.79545	0.6
93.07016	0.9
94.12299	0.7
95.04935	1.4
95.08612	0.6
97.02874	1.1
97.06516	1.2
99.04465	0.7
100.92866	0.5
101.02364	0.7
105.06979	1.1
109.02795	0.7
111.04426	6.9
119.08592	0.7
121.10114	0.7
124.29951	0.6
129.05475	4.7
133.10123	0.9
138.02332	0.6
139.03902	0.9
142.95857	0.6
149.05983	1.8
151.03862	2.2
161.05954	1.0
163.00237	1.3
163.03819	0.6
165.01826	4.3
183.02911	2.2
190.99802	1.0
192.97198	0.6
193.01294	0.9
197.01036	0.6
209.00793	1.7
229.07062	2.7
242.62628	0.6
258.05212	0.8
270.05191	1.8
271.05875	1.1
282.05240	1.2
283.05856	0.8
286.04694	1.4
296.03180	0.7
296.06717	1.6
298.04724	16.9
300.06342	1.5
301.07080	2.7
310.04617	2.1
311.05518	3.5
312.02768	1.3
312.06332	1.6
313.07050	37.6
314.07718	5.0
324.02853	1.1
324.06351	2.2
325.07050	4.0
326.04193	18.4
327.04993	2.5
327.08484	0.8
328.05627	4.4
329.06381	2.0
337.06943	0.7
338.04251	1.0
339.04950	12.5
339.08673	2.3
340.05505	1.3
341.06525	100.0
342.06927	1.7
343.08105	9.9
353.06555	4.9
367.04248	4.7
367.08359	3.6
369.06213	5.4
385.05264	3.6
385.09845	0.8
395.07571	5.5
405.09802	1.5
413.08539	2.5
413.77167	0.7
423.06683	0.9
424.30508	0.6
425.08627	0.9
441.08133	57.5
442.08688	1.5
469.11349	0.9
497.10779	0.9
515.11884	1.8
569.11853	0.9
587.13055	3.8
587.21063	2.1
587.29504	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37149	0.5
55.05496	2.7
57.07071	34.7
67.05503	1.2
67.16550	0.6
69.07062	1.9
71.08237	1.3
71.08627	26.6
73.06544	9.0
79.05475	1.5
81.07050	1.9
83.08607	2.6
85.09661	1.4
85.10178	23.8
87.04468	7.0
89.06025	100.0
90.06371	0.7
91.05457	1.3
91.07572	1.5
93.07047	1.6
95.05005	0.7
95.08625	1.1
97.10165	3.6
98.21427	2.1
99.11745	4.1
105.06991	1.4
107.07038	3.2
107.08588	1.1
109.10156	0.6
111.11732	0.8
113.13284	0.9
117.09129	5.7
119.08572	1.9
121.10104	0.8
130.08641	3.4
131.07057	1.6
131.08568	0.9
132.76122	0.6
133.08595	57.0
133.10201	1.9
135.10138	0.7
145.10170	1.3
147.11676	1.2
155.17947	4.3
159.11780	0.9
161.11748	1.5
177.11217	19.6
199.20616	3.2
200.64542	0.6
220.85052	0.7
221.13811	4.7
239.14928	1.2
240.23303	1.8
243.23175	8.4
265.16391	0.7
283.17548	1.6
287.25809	4.7
297.20502	0.6
327.20175	1.3
371.22763	1.2
415.25562	2.8
569.42645	4.9
586.44922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	14.1
55.05487	5.2
57.07055	5.9
57.98799	1.6
58.99571	7.6
63.00169	1.6
67.05504	9.8
69.03412	2.5
69.07059	9.1
69.69852	7.2
69.70278	6.5
71.04990	2.1
71.08620	6.5
76.02217	38.2
79.05499	8.8
80.66391	1.6
81.03405	2.0
81.07051	21.2
83.04961	2.4
83.06087	2.8
83.08592	5.1
84.04496	9.1
85.10162	3.5
86.99011	1.9
91.05466	4.3
93.07030	9.7
95.04951	4.2
95.08607	13.2
97.02866	6.9
97.06487	1.9
105.07013	4.3
107.04935	20.9
107.08579	8.8
109.06532	2.2
109.10155	5.1
111.04456	2.2
116.01651	6.6
117.06972	1.8
119.08515	2.0
121.06487	3.8
121.10125	7.6
123.04390	2.9
123.11688	4.2
125.05991	3.1
127.50924	1.7
127.52343	2.0
129.06567	3.3
130.04956	4.6
131.08549	3.7
133.10143	1.9
135.08018	3.6
135.11678	3.0
141.04770	1.9
142.03181	5.2
144.01115	6.9
147.11659	3.5
149.05943	6.5
149.13229	4.2
155.14258	3.7
162.02173	20.0
163.14803	7.9
170.02666	3.5
173.13208	4.8
176.58192	1.7
179.04834	37.9
187.05312	6.0
191.14265	11.9
209.15315	2.6
215.04922	2.2
233.05925	17.2
233.18977	8.2
245.05876	2.4
261.18481	8.7
279.19507	100.0
308.09103	26.1
311.17007	2.4
336.19727	2.3
439.22629	3.7
457.23587	6.5
511.24536	15.7
586.27533	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.7
55.01868	4.1
55.05504	18.8
57.03440	2.4
57.64433	2.3
61.02913	2.6
67.05495	9.8
69.03420	16.4
69.07059	6.4
70.06583	3.2
71.04970	8.1
71.23666	4.8
72.08133	2.8
79.05487	22.0
81.03408	29.7
81.07057	25.7
83.04961	12.2
83.08604	57.5
85.02894	20.9
85.06525	5.7
86.09683	2.6
87.00827	7.0
87.04466	4.5
91.05471	12.6
93.07054	14.6
95.04955	18.9
95.08596	14.5
96.05764	7.0
97.02879	63.6
97.06507	21.2
99.04440	15.4
99.08098	4.6
105.01864	6.0
105.07004	15.2
106.58468	2.0
107.04901	10.7
107.08579	100.0
109.02876	26.0
109.06503	12.1
109.10136	23.3
111.04418	3.2
111.08096	4.7
117.06989	5.4
119.08566	24.5
119.42280	2.2
121.06506	13.2
121.10111	17.8
122.07276	3.3
123.04393	4.9
123.08051	32.7
125.05962	34.0
125.09612	84.9
126.96580	2.8
127.03894	47.5
129.07005	2.5
130.07805	4.4
131.08559	4.5
133.06493	2.7
133.10155	3.0
135.04355	4.5
135.08075	3.9
135.11655	15.3
137.09547	10.8
138.06763	4.8
139.07503	4.1
144.09320	3.0
145.04955	7.0
145.10083	18.2
147.08006	16.8
149.05957	4.8
149.09616	4.1
150.24390	2.5
151.07497	5.9
153.12732	9.8
159.11710	18.9
161.05978	2.2
163.11162	43.2
164.11960	3.1
164.61308	2.5
165.09103	21.0
167.07031	8.6
177.12752	11.9
181.12209	42.1
187.11205	6.0
189.09238	3.0
189.12740	4.3
191.10684	4.4
205.12213	19.5
206.13023	9.1
207.13803	5.6
213.03827	3.4
223.13248	33.9
224.94446	2.2
231.04907	3.5
241.14413	3.1
266.08618	3.4
390.11142	2.8
489.19989	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.9
53.03931	2.3
55.01865	1.7
55.05503	18.5
55.90911	0.7
57.03429	5.6
57.06800	0.8
57.07059	5.2
62.69724	0.8
67.05496	52.6
69.07056	22.1
71.04971	2.7
71.08618	2.0
71.74941	1.0
77.03919	0.9
79.05484	34.3
81.07044	59.5
83.04972	2.3
83.08605	13.0
85.06528	3.0
85.10151	1.2
91.05465	29.4
91.06031	1.6
92.56036	0.8
93.07033	46.0
95.04940	5.5
95.08591	50.6
97.06503	5.5
97.10146	8.1
99.08074	2.9
101.06050	0.8
105.07014	31.6
107.08579	28.5
109.06503	2.3
109.10143	26.1
111.08093	2.0
111.11711	2.0
115.05389	1.3
117.06998	13.6
119.08567	27.7
121.10130	26.0
123.08049	1.2
123.11696	10.9
125.09624	2.6
128.06230	1.5
129.06975	5.8
131.08546	23.1
133.10106	29.8
135.08032	0.8
135.11668	18.4
137.09634	1.7
137.13211	3.9
139.11212	1.3
141.06929	1.8
143.08562	8.8
145.10097	22.4
147.11667	20.9
149.09621	2.2
149.13237	10.0
151.11208	1.3
155.08504	1.6
157.10118	10.5
158.10880	0.9
159.11673	19.3
161.13228	13.4
163.11160	1.2
163.14825	4.9
165.12819	1.2
169.10104	3.6
171.11668	11.9
173.13235	15.1
175.11084	0.9
175.14784	7.3
177.12706	0.9
177.16393	2.3
179.14250	1.1
181.10135	1.6
183.11696	5.7
185.13214	6.7
187.11133	1.4
187.14780	8.0
189.12643	0.9
189.16385	4.0
191.17903	1.3
193.09888	1.0
195.11693	2.1
197.13240	4.3
199.14824	5.3
201.16345	3.7
203.17960	2.4
205.15924	1.1
209.13362	1.0
211.14799	2.7
213.16331	6.3
215.17955	6.3
217.19511	2.7
219.17422	2.0
223.14859	1.2
225.16373	1.8
227.17928	2.2
229.19518	2.0
231.17392	5.6
231.21071	1.0
233.18964	4.6
235.20618	0.8
239.17963	2.0
241.19530	2.4
243.21066	2.6
245.19098	1.1
251.17760	0.8
255.21292	1.3
257.18961	1.1
259.20578	5.5
261.22128	6.1
271.20474	1.6
273.22012	2.0
275.20120	2.4
277.21661	0.9
281.21350	0.9
285.22156	1.0
287.23795	1.9
295.22522	1.1
299.23584	1.2
301.25253	1.5
305.20990	1.6
307.22565	8.3
309.24243	5.9
313.25284	0.9
315.23129	1.1
317.24747	2.3
323.25845	1.0
327.26740	1.1
333.24316	3.6
335.25836	7.9
337.27390	2.7
355.29907	0.9
367.30109	1.0
381.31979	0.9
395.33456	1.1
451.36240	1.0
461.32681	1.3
473.36453	1.3
475.33490	1.5
475.39423	2.5
487.38290	1.5
489.35587	1.6
493.40448	8.1
501.35611	1.2
511.41290	2.9
515.37170	1.7
549.42780	1.0
567.43866	13.0
585.45068	100.0
586.45184	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4506
Annotation	Hericene C
Peak:m/z	Relative Intensity
53.03941	2.9
55.01861	2.1
55.05501	16.9
57.03422	5.3
57.07060	3.7
67.05495	42.9
69.07059	18.4
71.00441	2.3
71.04977	2.1
71.08608	3.3
79.05484	25.1
81.07045	49.2
83.04962	1.0
83.08601	9.9
85.06529	2.2
85.10188	1.0
91.05470	22.0
93.07033	32.3
95.04956	3.7
95.08593	38.4
97.06517	4.3
97.10156	5.9
99.08081	2.3
102.83334	0.7
105.07019	23.4
107.04967	1.0
107.08582	22.5
109.06517	1.7
109.10142	19.7
111.08089	2.8
117.07019	8.2
119.08564	19.2
121.06469	1.2
121.10133	18.2
123.08033	1.4
123.11663	8.7
125.09626	1.7
129.06993	5.0
129.80058	0.8
130.07649	1.1
131.08557	18.3
133.10115	20.5
135.08105	1.1
135.11662	15.4
137.09610	1.5
137.13226	3.8
139.11179	1.6
141.07010	1.4
143.08565	6.9
145.10100	17.8
147.08116	0.9
147.11673	15.9
149.09616	1.1
149.13232	7.4
151.11171	1.4
151.14818	1.0
155.08513	2.0
157.10107	6.8
159.11682	14.1
159.12932	1.1
161.13240	8.8
163.11168	2.3
163.14790	3.0
165.12758	1.2
169.10118	2.4
171.11652	7.2
173.13232	10.9
175.11163	1.1
175.14799	4.5
177.12711	1.8
177.16396	1.0
179.14342	4.3
181.09897	0.8
183.11687	4.1
185.13246	5.3
187.14806	6.4
189.12717	1.0
189.16379	2.9
191.17923	1.5
195.11554	0.9
197.13239	2.1
199.11243	1.0
199.13177	1.2
199.14841	3.7
201.16383	4.3
203.14343	1.0
203.18022	2.6
205.16045	0.9
205.19557	1.5
209.13313	1.3
211.14838	2.1
213.14641	1.1
213.16385	4.9
215.17871	6.0
217.15862	1.0
217.19519	1.9
219.17517	1.0
225.16354	1.6
227.18059	2.0
229.19563	2.0
231.17471	3.3
233.19041	3.2
237.22124	1.3
239.17973	1.3
241.19511	2.3
243.21117	1.1
245.18947	1.2
257.18958	1.5
259.20609	3.7
261.22113	4.2
263.19986	1.0
269.22662	0.9
271.20633	1.0
273.22156	1.5
275.20044	3.5
277.21597	2.8
283.24011	1.0
285.22250	1.4
289.21671	1.3
295.22888	1.1
301.25284	1.0
305.21115	1.8
307.22745	6.2
309.24335	5.3
311.23584	1.0
313.24847	0.9
315.23367	0.9
333.24319	2.6
335.25784	7.3
337.27417	4.1
341.28333	1.7
355.96683	1.0
423.32922	0.8
461.32892	1.2
475.33664	1.3
475.39575	1.3
489.35437	1.1
493.40402	7.3
501.35486	1.7
511.41605	2.8
515.37207	2.0
567.43811	11.4
585.45074	100.0
586.45502	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.4
55.05500	25.6
57.03437	7.4
57.07059	8.5
65.62440	2.3
67.05499	57.9
67.07156	2.6
69.07062	29.1
69.41235	30.9
71.04981	3.0
71.08640	3.2
79.05482	39.5
81.06594	5.6
81.07049	69.7
83.04971	5.6
83.08604	12.4
85.06565	3.0
89.06026	2.5
91.05475	38.3
93.07041	37.6
95.04962	5.9
95.08596	41.6
97.06519	4.9
97.10174	6.3
98.21474	5.2
99.08057	4.7
105.07012	33.8
107.08570	24.1
109.06438	3.2
109.10161	21.5
117.07003	10.3
119.08578	37.1
121.10128	19.4
123.11713	9.3
129.06973	8.3
131.08551	24.6
133.10101	25.9
135.11703	16.8
137.05968	5.4
137.09642	4.2
141.06955	3.4
143.08565	13.2
145.04797	2.7
145.10106	21.8
147.11620	15.6
149.13283	8.1
155.08475	3.5
157.10100	13.2
159.11688	15.8
161.13188	13.4
169.10149	5.5
171.11673	14.7
173.13278	10.8
175.14819	5.5
179.14307	3.0
183.11739	5.9
185.13274	8.4
187.14836	7.3
195.11600	2.9
201.16374	3.4
211.14880	5.8
213.16428	4.6
215.17950	4.3
221.13266	3.4
233.19064	4.2
235.20584	4.7
237.22426	2.9
241.19409	12.8
257.19193	3.8
259.20639	18.5
267.15976	3.1
275.20035	4.6
309.24207	25.9
333.24258	15.4
493.40430	8.7
525.24750	4.6
547.08832	3.0
553.07178	2.7
567.44360	9.4
585.27362	6.3
585.45142	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28963	3.6
51.85959	3.2
53.03931	8.3
53.10081	4.7
55.01869	5.4
55.05496	15.3
57.03431	3.9
57.07053	6.2
57.38264	3.5
58.22073	3.3
65.03897	3.7
67.05504	20.4
69.03426	27.1
69.07055	21.9
69.62237	13.2
69.62660	15.8
70.06597	6.7
71.04984	14.3
73.72466	3.1
79.05492	30.0
81.03408	32.8
81.07050	100.0
81.07529	4.9
83.08626	8.0
85.02887	43.9
87.00824	19.8
91.05463	25.6
93.07031	49.3
95.04970	6.9
95.08598	46.5
97.02882	64.3
97.06525	10.9
97.10167	4.3
99.04436	4.7
105.01852	34.8
105.07025	40.8
107.08575	61.2
109.02861	31.1
109.10146	51.9
111.08084	5.2
113.53864	3.9
115.03864	4.3
116.71245	3.4
117.07008	4.2
117.37457	3.5
119.04955	16.5
119.08566	69.2
121.10122	24.1
123.11678	32.5
125.09586	4.1
126.05448	3.6
127.03903	51.4
127.11172	23.1
131.08517	3.6
133.10115	56.9
135.11682	67.6
137.09572	5.4
137.13266	5.7
143.08501	4.7
145.02849	4.1
145.04956	12.2
145.10135	5.5
147.04390	51.6
147.11670	36.5
149.13301	19.2
153.12756	4.8
157.10107	5.7
159.02831	4.5
159.11606	7.7
161.13187	16.6
163.03870	6.1
163.14786	4.0
165.09198	3.7
175.11084	4.1
175.14738	5.8
203.17918	73.7
204.10146	26.2
221.19008	61.3
231.04996	12.3
249.06004	6.3
259.09583	7.3
266.08722	13.9
275.17538	8.5
284.09561	4.2
292.20239	6.5
311.19873	5.1
312.82404	3.4
327.22009	3.6
420.22845	10.5
438.10001	3.3
438.23996	25.5
454.62009	3.9
493.54065	3.9
602.37317	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01845	1.8
55.05504	15.5
57.03422	3.9
57.07063	3.2
65.03961	1.5
67.05498	35.9
69.03401	1.5
69.07063	15.9
70.88711	3.5
71.04980	2.4
79.05481	26.1
81.07047	38.5
83.04971	2.3
83.08604	6.2
85.06528	2.7
91.05463	27.0
93.07031	28.5
93.48087	1.0
95.04962	3.9
95.08592	29.9
97.06517	3.2
97.10168	3.3
99.08099	1.3
105.07014	29.4
107.08566	18.5
107.92149	1.1
109.06537	1.5
109.10128	14.2
111.08076	2.1
111.11732	1.1
115.05501	1.7
117.07004	12.9
119.08557	24.7
121.10124	16.2
123.11703	4.8
125.09600	1.0
128.06213	2.9
129.06975	9.5
131.08554	22.0
133.10109	28.1
135.11673	8.6
137.09554	1.5
137.13283	1.4
141.06992	4.5
142.07797	3.6
143.08540	15.4
144.09319	1.4
145.10112	19.5
147.08089	1.4
147.11667	16.9
149.09645	1.7
149.13246	4.4
154.07765	1.5
155.08549	6.6
156.09285	2.2
157.10106	16.5
158.10805	1.1
159.11678	15.5
161.09653	1.4
161.13260	6.7
163.11191	1.5
167.08595	3.0
168.09375	1.0
169.10106	11.9
170.10843	1.3
170.48297	1.1
171.11649	15.9
172.12376	1.1
173.13242	10.9
175.14786	2.6
181.10106	4.3
183.11690	8.5
184.12274	1.0
185.13226	8.0
187.14778	6.4
189.16393	2.9
194.10654	1.2
195.11678	4.2
197.13222	7.4
199.14844	5.6
201.16374	4.0
203.14336	1.6
203.17963	3.2
207.11728	1.7
209.13254	4.5
211.14783	7.0
213.16371	9.3
215.17973	3.8
221.13278	1.5
223.14745	2.6
225.16443	3.3
227.14331	1.3
227.18092	2.5
229.15952	2.4
229.19560	1.3
231.17366	10.1
233.18990	1.7
237.16431	2.3
239.17943	1.9
241.19647	2.4
249.16229	1.2
259.20490	1.5
261.22174	1.6
273.21948	1.1
285.22174	1.5
287.46704	1.1
305.80334	1.0
313.21756	1.2
335.25906	5.4
339.26813	1.5
353.28485	1.5
367.29956	1.5
403.56329	1.2
421.31131	1.4
473.38007	1.9
475.34525	1.3
491.39008	8.0
509.39722	3.8
513.35767	1.6
565.42334	8.3
583.43481	100.0
584.43860	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11171	1.1
53.03926	3.4
55.01856	3.5
55.05503	26.3
56.76044	1.2
57.03436	10.4
57.07056	4.1
65.03924	2.6
67.05135	2.7
67.05496	55.1
69.06727	1.9
69.07065	21.3
70.88612	3.5
71.04972	4.1
71.08633	2.1
71.66660	1.1
73.68616	1.1
76.15888	1.4
77.03947	1.7
79.02254	1.1
79.05488	56.0
79.81422	1.3
81.03412	1.3
81.07050	58.7
83.04964	3.2
83.08612	11.3
85.06524	3.9
91.05471	45.4
93.07035	59.1
95.04963	7.0
95.08604	48.5
97.06532	5.0
97.10162	5.2
99.08073	4.1
105.04517	1.4
105.07022	40.8
107.08575	31.1
109.06497	3.4
109.10154	19.1
111.08047	1.3
115.05442	2.7
117.07003	17.4
119.08570	36.5
121.10138	31.8
123.08076	2.9
123.11710	6.3
125.09640	1.3
128.06219	3.2
129.06982	12.7
130.07838	1.6
131.08549	32.4
133.10110	34.2
135.08073	2.3
135.11673	17.0
137.09569	1.6
137.13239	1.9
141.06976	5.2
142.07751	3.4
143.08557	18.5
144.09354	1.6
145.06575	1.1
145.10101	32.3
147.07976	2.1
147.11673	26.2
149.09595	2.5
149.13266	10.2
151.11131	1.9
155.08522	7.4
157.10101	21.3
159.11682	23.2
161.09653	1.4
161.13248	14.2
163.11081	2.3
163.14870	3.5
167.08582	3.2
169.10092	9.4
170.10878	1.9
171.11656	18.5
173.13254	16.8
175.14810	8.4
179.08537	2.7
181.10175	3.9
182.10864	1.3
183.11662	11.3
184.12405	1.3
185.13237	15.3
187.14830	8.8
189.12773	1.5
189.16411	3.4
195.11725	3.9
197.13234	6.7
199.14825	9.8
201.16386	4.9
203.17924	2.5
209.13249	4.5
211.14864	5.5
213.16435	8.8
215.18025	5.5
217.15846	1.3
217.19460	1.9
219.17300	1.5
221.13280	1.5
223.14839	3.8
225.16428	4.6
227.18024	2.8
229.15799	1.4
229.19513	1.9
231.17435	4.7
231.21057	2.9
233.19055	2.3
237.16440	2.6
239.18083	2.4
241.15923	1.2
241.19545	11.8
243.21152	2.8
249.16446	1.7
253.19545	1.7
257.19101	4.5
259.20508	18.1
261.22388	1.2
264.60999	1.3
273.22046	1.3
275.20251	1.8
297.22101	2.1
305.21228	1.9
307.22635	21.4
309.24316	1.9
311.23666	2.5
313.25345	1.4
315.23105	1.7
333.24222	13.9
335.01367	1.7
335.25793	4.1
339.26501	1.4
353.28601	1.9
379.30249	1.7
473.37903	2.3
491.38898	9.8
509.39932	2.9
565.42371	10.6
583.43494	100.0
584.44037	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87587	2.4
53.03935	4.7
55.01876	3.5
55.05513	25.4
57.03427	7.1
57.07061	7.5
65.03931	4.4
67.05499	57.2
69.03437	2.9
69.07069	25.3
71.75293	2.8
71.75730	2.9
79.05482	54.0
81.07046	59.5
83.04984	3.6
83.08596	13.3
85.06551	4.8
91.05476	48.0
93.07034	66.4
95.04961	8.8
95.08595	50.7
97.06533	7.1
97.10133	3.6
99.08125	3.5
103.05437	2.7
105.07010	53.2
107.08582	32.2
109.06509	7.0
109.10132	21.0
110.32713	2.3
117.06979	18.6
119.08561	54.9
119.09385	2.9
121.10132	36.2
123.08099	4.2
123.11721	11.5
125.09627	4.1
128.06261	4.7
129.06996	14.2
131.08553	33.1
131.09447	3.4
133.10120	35.6
135.08067	4.7
135.11676	26.1
137.09595	4.6
141.06990	7.0
142.07784	6.9
143.08543	25.0
144.09378	4.4
145.10121	44.3
147.08072	5.7
147.11671	21.1
149.09622	5.5
149.13290	7.4
151.07535	3.2
155.08571	9.5
156.09358	4.5
157.10135	23.4
159.11681	25.5
161.09671	4.9
161.13292	14.3
163.11185	4.4
163.14891	3.6
165.09111	6.6
167.08543	5.1
167.10709	10.2
169.10130	12.3
171.11639	20.3
173.09714	4.6
173.13260	16.3
175.14862	10.3
179.08621	4.2
181.10179	9.2
182.10831	3.6
183.11684	12.9
185.09505	3.5
185.13263	15.2
187.14847	6.9
193.10159	4.9
194.10895	3.1
195.11707	7.0
197.13318	11.8
199.14857	11.2
201.16438	7.9
203.14330	5.5
206.10904	2.8
207.11662	3.3
209.13293	8.3
211.14870	10.2
213.16411	7.0
215.18013	6.5
221.13400	5.1
221.15367	8.1
223.14848	8.2
225.16483	3.5
235.14906	3.3
237.16495	3.1
239.17960	3.1
241.19536	10.9
247.14957	2.8
259.20502	13.6
261.16388	3.4
271.20337	3.5
277.21594	2.8
297.22235	4.8
307.22635	14.6
309.24088	3.4
333.24365	10.5
445.09482	2.7
491.38846	7.5
509.39932	3.8
565.41650	12.4
583.43292	100.0
584.43201	4.4
586.10767	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07187	0.9
53.03939	2.7
55.01864	2.8
55.05505	19.2
57.03429	4.7
57.07058	4.0
57.58493	1.0
65.03936	2.3
67.05495	43.6
69.07062	17.0
71.04969	3.5
71.08614	1.6
71.24924	1.7
71.31252	1.1
77.03906	1.0
79.05486	33.3
81.07044	42.6
83.04966	2.3
83.08613	9.1
85.06534	3.3
86.26736	1.1
91.05466	29.4
93.07036	36.3
95.04966	4.8
95.08598	35.5
97.06526	5.0
97.10163	3.8
99.08073	2.3
103.05480	1.8
105.07024	31.4
105.69084	1.0
107.08578	20.4
109.06516	1.2
109.10137	18.0
111.08069	2.5
111.11745	1.3
113.56926	0.9
115.05444	1.8
117.07011	16.8
119.08564	29.4
121.10129	19.0
123.08068	1.9
123.11682	6.2
124.89225	1.0
125.09613	1.3
128.06252	3.0
129.06984	12.9
130.07776	1.7
131.08562	30.9
133.10110	26.9
135.08043	1.3
135.11667	13.1
137.13214	1.6
141.06990	4.7
142.07785	3.3
143.08553	17.3
145.10110	29.7
147.11664	22.6
147.12700	1.7
149.09608	2.1
149.13213	5.1
155.08537	8.1
156.09322	1.7
157.10115	19.7
159.07968	1.3
159.11673	19.3
161.09637	1.4
161.13252	7.4
163.11189	1.3
163.14827	3.2
167.08572	3.1
168.09370	2.2
169.10072	11.3
170.10883	1.6
171.11671	21.8
173.09608	1.3
173.13255	12.6
175.11130	1.5
175.14824	3.3
179.30914	1.2
181.10117	4.6
182.10857	1.7
183.11674	10.0
184.12373	1.4
185.13219	10.9
187.14790	7.3
189.16336	4.7
195.11673	6.7
196.12476	1.0
197.13242	9.0
199.14796	7.9
201.16400	4.2
203.18010	4.2
207.11784	1.8
208.12421	1.1
209.13185	4.7
211.05293	1.1
211.14772	6.1
213.16402	14.4
215.14348	1.2
215.17990	4.5
221.13289	1.9
223.14786	4.9
225.16383	4.4
227.17952	3.8
229.15858	3.2
231.17427	13.2
233.19002	1.3
235.14940	1.6
237.16423	1.8
239.18054	2.5
241.19583	4.1
243.20940	1.2
249.16344	1.9
251.17975	2.6
253.19583	3.2
255.17465	1.2
257.18982	2.1
259.20721	1.7
265.19473	2.3
267.21246	1.6
275.91766	1.3
282.20093	1.0
295.20563	1.3
297.22235	1.3
301.21436	1.1
305.21014	2.5
307.22662	1.7
311.23499	1.7
323.23825	1.4
325.25217	2.1
333.24155	1.0
335.25812	6.8
351.26785	1.2
353.24582	1.3
365.28741	1.4
381.51840	0.9
403.29077	1.1
421.30750	1.2
473.37799	2.8
487.34695	1.1
491.38910	11.6
492.49606	1.1
501.36563	1.1
509.39743	3.7
513.35809	1.4
516.07178	1.1
547.41400	1.1
565.42511	8.7
571.42255	1.4
583.43500	100.0
584.43567	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.6
55.01857	2.9
55.05504	22.1
57.03426	10.5
57.07067	3.8
59.90958	0.9
65.03925	4.0
67.05497	54.6
69.03412	1.2
69.07059	20.0
70.69868	1.7
70.70206	2.4
71.04984	2.3
71.08627	1.6
76.97684	1.1
77.03914	1.1
79.05484	49.6
80.05870	1.0
81.07047	67.5
83.04981	2.7
83.08611	12.3
85.06535	2.6
91.05470	46.0
93.07032	61.1
95.04957	7.3
95.08597	46.1
95.98919	1.0
97.06528	3.7
97.10155	3.7
99.08084	3.8
103.05467	1.5
105.04512	1.3
105.07021	45.3
106.20769	0.9
107.08576	27.6
109.06519	2.3
109.10147	18.9
111.08084	2.6
115.05453	2.0
117.06171	1.4
117.06993	20.6
119.08566	36.5
121.10131	31.1
121.10960	1.9
123.08050	1.9
123.11697	5.5
125.09622	2.4
128.06168	1.7
129.05504	1.7
129.06990	14.5
130.07782	1.8
131.08551	31.9
133.10109	37.2
135.08099	1.5
135.11681	17.4
137.09650	1.8
137.13217	2.0
139.11165	1.3
139.34903	1.0
140.54494	0.9
141.06931	4.8
142.07780	4.0
143.08539	19.2
144.09373	1.2
145.10100	29.3
145.11209	2.0
147.11670	26.7
149.09607	2.7
149.13263	9.2
151.11160	1.9
155.08553	9.2
156.09364	1.9
157.10106	15.9
159.11681	25.6
161.13239	15.0
163.11159	2.4
163.14822	3.9
167.08528	2.7
169.10117	11.5
171.11668	19.3
173.13248	17.1
175.11238	1.7
175.14742	8.6
177.12770	1.5
177.16364	2.5
181.10121	4.3
182.10982	1.3
183.11656	9.5
185.13226	12.1
187.14789	8.1
189.12686	1.3
189.16417	3.2
193.10196	1.8
195.11726	3.4
197.13242	10.2
199.13171	1.8
199.14815	9.8
201.16417	6.5
203.14316	2.3
203.17993	2.2
207.11650	1.7
209.13307	4.1
211.14813	7.5
213.16377	10.4
215.17952	7.3
217.19478	1.8
221.13266	2.8
223.14856	3.3
225.16408	5.2
227.18044	1.9
229.15953	1.7
229.19554	1.3
231.17482	4.5
231.21129	2.4
233.19028	3.4
235.14864	1.7
237.16454	1.9
239.17986	3.4
241.19525	10.1
243.21071	2.2
251.18028	1.7
253.19521	1.2
255.21269	1.3
257.19037	3.6
259.20551	19.5
261.22186	1.7
265.19449	1.4
267.21039	1.7
271.20486	1.2
279.21048	1.2
283.20602	1.3
285.22339	1.5
299.23761	1.3
305.21231	2.7
307.22617	19.2
309.24692	1.4
315.23245	1.7
323.23624	1.3
333.24243	12.1
335.25812	3.4
339.26840	2.0
409.30875	1.4
413.30038	1.2
421.30984	2.1
460.24539	1.2
473.38074	2.2
475.34512	1.2
491.38992	10.0
509.39734	4.3
513.35535	3.0
565.42560	9.9
583.43524	100.0
584.43890	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.05508	15.8
57.07074	8.7
57.33182	1.5
59.04990	2.4
65.03931	2.3
67.05500	24.4
69.03416	5.9
69.07061	18.7
69.11559	1.1
69.48293	5.5
69.48722	6.7
71.04976	2.4
72.30138	1.4
73.57420	1.3
79.05489	24.3
81.03418	1.6
81.07050	31.8
81.55388	1.0
83.04975	7.6
83.08625	6.7
85.06527	5.8
91.04910	3.0
91.05473	45.8
93.07041	50.3
95.04967	9.0
95.08601	37.4
96.08899	1.3
97.06524	6.7
103.05458	3.0
105.07027	59.2
107.08589	43.6
108.05708	1.8
109.06517	8.8
109.10153	16.3
111.08102	2.3
113.09648	2.1
115.05441	5.4
117.07006	15.3
119.08573	65.9
121.06500	4.1
121.10138	49.2
123.08063	15.6
123.11686	6.9
125.05978	2.3
125.09634	3.2
128.06206	11.3
129.06999	13.7
130.07782	5.9
131.08557	25.6
131.09442	2.3
133.06499	2.9
133.10118	36.6
135.08061	7.4
135.11668	14.7
137.09647	9.8
139.07535	1.6
139.11180	2.3
141.06985	4.9
142.07768	18.9
143.08560	33.5
144.09386	6.4
145.06494	1.6
145.10110	48.1
147.08055	10.2
147.11673	14.2
149.09625	7.8
149.13255	4.8
151.07527	12.4
151.11162	1.7
153.07013	3.1
153.08987	1.4
154.07774	3.0
155.08574	12.5
155.10580	2.9
156.09337	15.3
157.10133	43.9
158.10884	5.8
159.08063	3.9
159.11682	23.1
161.09633	5.2
161.13223	5.5
163.11195	6.4
165.06992	6.3
165.09105	13.9
166.07787	3.8
167.08549	9.2
167.10675	26.5
168.09354	6.2
169.10130	26.9
170.10861	6.3
171.11681	22.5
172.12465	2.2
173.09602	3.9
173.13252	22.0
175.11197	3.9
175.14781	8.0
178.07796	2.3
179.08571	13.2
179.10683	2.0
180.09319	5.4
181.10092	13.8
181.12259	7.2
182.10944	9.7
183.11691	22.7
184.12459	4.2
185.13237	17.6
187.14804	7.0
189.12703	6.7
189.16313	1.4
191.08594	2.3
191.14299	6.5
192.09328	4.4
193.10121	13.8
194.10890	8.8
195.11710	18.1
196.12483	5.9
197.13240	18.4
198.13960	1.9
199.11221	2.6
199.14810	11.2
201.12704	1.7
201.16348	2.6
203.14302	6.5
205.10129	3.0
206.10899	7.7
207.11685	17.6
207.13795	7.4
208.12502	6.1
209.13255	21.2
210.13968	3.9
211.11171	1.6
211.14809	11.0
213.12782	1.7
213.16423	4.4
215.14311	3.9
216.09488	1.6
216.56592	1.4
217.10158	5.0
217.15982	6.1
218.10985	1.9
219.11702	5.6
219.13734	1.3
219.17506	2.3
220.12512	4.6
221.13246	13.6
221.15398	30.5
222.13937	3.1
223.14795	15.3
224.15639	1.6
225.12704	3.3
225.16428	6.6
227.14293	2.3
229.10262	1.4
229.15756	2.3
230.10909	1.9
231.11612	4.2
231.17332	3.1
232.12555	3.6
233.13638	9.9
233.15457	9.9
234.14001	4.4
235.14818	9.9
236.15466	2.5
237.16420	7.9
239.17903	3.0
241.19553	1.8
243.11618	2.4
243.17387	1.7
244.12439	2.2
245.13249	5.5
246.14070	3.6
247.14789	9.9
247.16916	2.1
248.15468	2.1
249.16354	7.8
251.18015	5.7
253.19489	2.7
255.17613	2.3
257.13181	2.7
257.19067	3.8
259.14862	4.9
260.15610	3.4
261.16406	8.5
262.17178	2.4
263.17914	7.3
265.19406	7.0
267.17352	1.5
269.18994	6.6
271.14868	2.4
272.15588	2.4
273.16275	4.2
274.17105	1.7
275.17966	8.6
277.15762	1.4
277.19528	3.6
279.17755	1.4
279.21021	2.5
281.18991	2.3
283.20523	11.7
284.15451	1.4
285.16299	3.5
287.17755	3.0
287.20471	2.0
289.19510	4.6
291.21002	2.3
293.19104	2.6
295.20660	3.0
297.22150	3.1
299.17618	1.9
301.19464	3.1
303.20950	2.3
307.20593	1.6
309.21945	2.3
317.22522	1.8
319.20581	1.5
327.20935	1.7
331.24161	2.5
335.23489	1.5
343.24255	1.7
347.23648	2.1
349.25229	7.1
357.25848	1.7
361.25122	2.4
363.26678	1.8
374.26001	1.4
375.26819	5.2
401.28464	1.6
403.30002	5.9
409.28793	1.8
509.34067	3.3
547.39258	5.6
565.40485	25.3
583.41547	100.0
584.42114	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43093	1.3
53.03938	6.0
55.01849	1.8
55.05507	13.8
57.03433	2.1
57.07076	11.3
59.04983	3.6
65.03948	2.7
65.81225	1.4
67.05175	2.6
67.05499	28.6
69.03433	9.1
69.07053	19.7
70.17521	5.2
70.17943	3.6
71.08611	2.6
77.03868	1.8
79.05489	30.2
81.07046	36.3
83.04981	8.0
83.08605	8.4
85.06530	5.0
91.05475	46.1
93.07036	61.6
95.04944	11.9
95.07994	2.0
95.08598	38.3
96.34953	1.5
97.06525	5.8
98.21440	2.0
99.08076	2.0
103.05447	3.8
105.07027	75.1
107.04954	2.0
107.08585	45.6
109.06512	9.0
109.10140	23.0
111.08014	2.6
115.05452	6.8
117.06994	18.0
119.08575	75.1
121.06507	5.1
121.10136	44.2
123.08052	16.8
123.11681	8.2
125.05984	3.3
125.09579	1.8
128.06203	10.3
129.07002	18.7
130.07753	6.3
131.08557	33.3
133.06480	3.0
133.10115	40.6
135.08073	10.7
135.11685	15.0
137.09602	9.7
139.11128	3.1
141.06964	8.4
142.07788	19.4
143.08551	39.6
144.09334	6.4
145.06470	2.2
145.10112	54.1
147.08049	17.1
147.11681	17.7
149.09604	5.7
149.13260	4.3
151.07552	11.8
153.06985	7.2
154.07721	4.2
155.08527	23.5
156.09338	17.1
157.10127	49.7
158.07274	1.7
158.10887	7.6
159.08058	4.6
159.11679	25.0
161.09599	6.6
161.13293	9.2
163.11180	3.8
165.06984	6.2
165.09109	30.1
166.07771	3.1
167.08554	11.7
167.10623	8.9
168.09352	8.4
169.10112	25.7
170.10809	9.5
171.11678	34.0
171.13049	2.8
172.12309	1.7
173.09601	4.0
173.13243	22.1
175.11238	2.6
175.14818	12.4
177.09015	1.8
178.07732	2.3
179.08553	13.7
179.14314	2.5
180.09326	5.5
181.10123	18.5
181.12215	6.3
182.10919	7.1
183.11673	27.6
184.12476	6.9
185.09613	1.9
185.13261	15.4
187.11145	2.1
187.14778	7.9
189.12756	6.4
191.14296	9.3
192.09367	3.7
193.10150	13.5
194.10904	11.6
195.11688	20.1
196.12492	5.6
197.13251	23.8
198.13954	2.1
199.11221	2.5
199.14815	16.8
201.16391	2.8
203.08569	3.0
203.14322	12.7
205.10129	4.5
206.10909	7.8
207.11690	18.9
207.13826	7.2
208.12459	5.3
209.13287	25.9
209.15237	3.4
210.13977	4.0
211.14772	12.0
213.16333	5.6
215.14317	2.7
217.15817	9.4
218.10907	3.2
219.11789	8.8
219.13634	2.4
219.17476	1.8
220.12416	8.0
221.13237	13.3
221.15292	67.0
222.13979	4.9
223.14774	13.7
224.15549	2.2
225.12823	2.2
225.16324	7.6
227.14380	2.7
227.17903	1.9
229.10213	1.5
230.11034	1.9
231.11699	6.5
231.13832	2.2
231.17380	3.1
232.12463	6.2
233.13229	9.7
233.15402	4.5
234.14024	5.1
235.14790	13.9
237.12746	1.7
237.16364	8.8
239.14330	2.1
239.17949	6.4
240.45404	1.7
241.19670	2.9
243.11679	2.2
244.12444	2.6
245.13214	8.4
246.14069	4.9
247.14824	8.6
247.17039	3.6
248.15601	2.6
249.16385	7.9
251.14362	1.7
251.17940	6.8
253.15686	2.1
255.17484	2.5
257.13226	4.2
257.18869	8.0
258.14038	4.2
259.14816	6.7
260.15671	5.7
261.16333	12.0
262.17157	3.4
263.17975	6.3
265.19525	7.3
269.19003	3.9
271.14783	2.6
271.20581	2.2
272.15665	2.5
273.16068	3.7
275.17789	11.8
277.19333	2.3
283.20535	13.5
287.20129	5.0
289.19406	4.2
291.20978	2.1
293.18814	2.1
295.20566	4.2
297.22156	4.8
303.21075	3.1
316.21619	2.0
331.24124	6.7
337.25275	2.2
343.24130	2.1
349.25327	8.3
352.23889	2.4
361.25055	2.7
363.26962	1.7
375.26810	5.4
395.74521	1.8
403.24680	1.8
403.29837	6.6
433.68344	1.7
491.35226	5.2
503.35126	6.2
547.39484	3.8
565.40393	19.3
566.40930	1.8
583.41602	100.0
584.42657	1.7
599.67438	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77821	1.4
53.03934	3.5
54.63135	1.3
55.05504	17.3
57.07060	9.6
59.04979	3.4
65.03918	3.3
67.05501	26.2
69.03433	7.0
69.06735	1.4
69.07063	19.2
71.11829	3.5
75.37477	1.3
77.03893	1.2
79.05486	26.1
80.06266	1.4
81.07044	34.5
81.07526	1.9
83.04976	7.3
83.08612	7.7
85.06510	6.7
91.04908	2.7
91.05468	48.8
91.06033	2.6
92.54680	1.2
93.07032	57.8
95.04953	12.1
95.08596	37.1
97.06524	6.8
103.05458	4.9
105.04500	2.0
105.07017	71.7
107.04922	1.7
107.08583	46.9
109.06525	10.0
109.07151	1.6
109.10152	22.9
111.08046	3.4
112.04940	1.2
115.05454	6.0
116.06241	2.9
117.06998	18.8
117.07757	1.5
119.08570	83.1
119.41627	1.3
121.06501	6.8
121.10130	45.4
123.08059	19.3
123.11671	7.7
125.05975	3.2
125.09631	2.9
128.06215	12.5
129.06996	19.7
130.07788	6.9
131.08549	36.6
133.06482	2.0
133.10112	42.1
135.08012	10.2
135.11678	17.0
137.09598	9.5
139.11163	1.7
141.06979	9.9
142.07759	25.4
143.08545	44.4
144.09351	8.2
145.06398	1.6
145.08951	2.7
145.10107	51.1
147.08037	17.6
147.11650	18.2
149.09602	7.0
149.13235	4.1
151.07524	17.4
151.11209	2.4
152.06117	1.5
153.06958	5.8
153.09128	1.5
154.07719	2.6
155.08536	17.9
156.09328	18.6
157.10109	51.1
158.10915	8.6
159.08043	5.9
159.11674	26.9
161.09537	7.6
161.13303	7.7
163.11168	10.2
163.14662	1.6
165.07019	9.0
165.09088	34.2
166.07779	3.0
167.08565	10.7
167.10652	12.4
168.09303	7.5
169.10104	29.1
170.10867	9.1
171.11679	32.0
172.12448	2.6
173.09607	5.7
173.13243	28.4
175.11197	4.3
175.14790	9.3
177.09116	1.6
177.12669	1.9
178.07748	2.5
179.08543	14.3
179.10161	1.6
179.10449	1.3
179.14259	1.8
180.09326	6.4
181.10114	19.8
181.12225	5.8
182.10867	10.7
183.11679	28.0
184.12488	6.5
185.13243	20.0
187.11247	2.2
187.14796	5.7
189.12711	6.5
191.08571	2.1
191.14267	9.8
192.09283	5.6
193.10115	15.8
193.11819	2.1
194.10915	13.3
195.11674	24.1
195.13585	1.8
196.12451	4.9
197.13239	22.9
198.14069	2.1
199.11150	2.2
199.14795	15.5
201.12711	3.3
201.16289	2.9
203.08542	2.1
203.14304	17.9
205.10149	5.1
206.10884	10.3
207.11682	18.9
207.13779	7.6
208.12418	7.2
209.09657	1.3
209.13245	30.9
209.15225	1.7
210.13977	4.1
211.11102	1.3
211.14786	11.4
213.12770	2.8
213.16373	5.6
215.14357	3.1
217.10068	3.8
217.15860	9.9
217.17714	1.5
218.10963	3.7
219.11732	10.2
220.12453	6.5
221.13245	16.3
221.15359	56.8
222.14005	4.9
223.14777	15.9
224.15536	1.9
225.16342	6.4
227.14268	3.7
229.10040	1.7
229.15887	2.6
230.10870	3.6
231.11711	6.7
231.13687	1.8
231.17400	3.2
232.12411	5.5
233.13258	9.3
233.15414	5.4
234.13943	5.9
235.14821	13.2
236.15477	3.4
237.12662	1.4
237.16370	9.3
239.17957	4.8
241.15862	2.2
241.19647	1.8
243.11661	2.9
244.12506	2.4
245.13123	6.4
246.13988	5.5
247.14767	8.3
247.17001	2.7
248.15445	2.7
249.16383	11.0
250.17073	2.4
251.17868	6.1
253.19450	1.6
255.17430	2.4
257.13245	3.4
257.18964	7.7
258.14093	2.1
259.14859	5.5
259.20297	1.4
260.15561	5.4
261.16336	9.4
262.17160	1.6
263.17859	6.8
265.16711	1.4
265.19510	7.2
269.18994	3.1
271.14700	2.7
271.20517	4.1
272.15613	2.0
273.16229	6.1
274.17108	2.5
275.17853	13.4
277.19531	3.9
279.20999	2.7
281.18893	2.7
283.20523	15.2
285.16068	1.5
286.19464	1.7
287.17517	2.2
287.20135	4.0
289.16260	1.3
289.19482	5.0
290.20206	1.4
291.21228	1.6
293.19135	2.5
295.20621	3.5
297.22168	5.3
299.20285	1.7
300.20801	2.8
301.19171	2.0
303.21091	1.6
307.20450	2.5
309.22119	2.5
312.21127	1.9
315.20944	2.0
316.21915	1.4
317.22446	2.1
327.21057	2.1
329.22549	2.2
331.24261	6.0
333.21939	2.1
335.23798	1.9
343.24188	1.6
347.23660	2.6
349.25134	8.9
357.25677	2.8
365.24393	2.3
373.25232	2.4
375.26913	6.3
403.30096	5.5
491.35046	4.3
503.35126	4.7
509.33887	2.9
547.39252	4.1
565.40485	26.2
583.41431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22873	2.9
53.03921	2.8
55.05497	10.4
57.07057	7.3
67.05497	19.9
68.77483	2.8
69.03411	9.2
69.07034	10.3
70.93896	8.4
79.05479	14.1
81.03406	3.1
81.07047	25.5
82.45440	2.7
83.08635	4.7
91.05465	28.8
93.07043	39.1
95.04931	10.1
95.08592	25.7
95.23837	2.9
97.06500	6.1
105.04965	3.1
105.07017	43.3
107.08593	24.6
109.06449	8.2
109.10140	16.4
111.08035	4.8
117.07002	13.5
119.08577	50.4
121.06497	4.5
121.10130	25.7
123.08032	12.1
123.11698	5.1
126.42416	3.0
128.06171	4.2
129.06999	7.1
131.08566	15.9
133.06525	4.3
133.10133	34.9
135.08023	10.6
135.11700	13.8
136.94853	2.7
137.04167	2.7
137.09613	21.7
142.07750	7.6
143.08531	18.0
145.10095	36.3
147.07999	24.8
147.11638	7.8
149.09598	7.4
151.07536	10.3
155.08498	8.6
156.09322	7.5
157.10075	19.0
159.11699	21.9
161.09596	5.7
161.13223	4.7
163.11162	4.5
165.09102	51.8
167.05089	2.8
169.10117	11.4
170.10857	4.4
171.11671	13.1
172.12419	2.8
173.09534	3.8
173.13211	10.5
175.14821	6.0
179.08609	4.3
180.09222	3.4
181.10046	6.6
181.12172	6.0
182.10825	3.2
183.11650	8.1
185.13251	8.5
187.14832	7.1
194.10936	3.4
195.11734	6.0
197.13248	13.4
198.13829	3.3
203.14250	10.8
207.11890	4.6
207.13730	6.3
209.13196	7.6
221.13316	6.8
221.15326	100.0
223.14693	6.2
235.14688	6.6
291.72540	3.1
291.86996	2.9
299.20105	4.7
353.24219	4.2
365.24902	4.3
378.79657	2.9
437.30374	3.5
473.34045	7.3
491.35022	10.8
503.35117	5.4
565.40448	8.2
583.41516	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	2.4
53.03940	4.5
55.05503	12.5
57.07066	5.8
59.04996	2.7
61.36233	1.7
65.03929	7.4
67.05498	21.0
69.03418	8.0
69.07065	14.3
70.94510	5.7
71.04965	2.3
79.05489	32.2
81.07048	42.1
83.04976	7.1
83.08613	6.1
85.06533	4.9
91.05473	60.8
93.07035	51.4
95.04961	78.0
95.08595	25.0
97.06514	3.0
101.22594	2.0
101.62836	1.9
103.05446	5.6
103.61954	1.8
105.07016	93.4
107.04976	3.6
107.08582	58.0
107.09325	3.1
109.06528	13.5
109.10139	16.0
111.08132	3.5
115.05411	9.9
116.06259	3.2
117.07007	36.3
119.04932	3.3
119.06125	2.0
119.08570	89.4
120.09380	4.4
121.06528	11.7
121.07284	2.3
121.10131	41.3
122.07274	6.5
123.08041	18.4
123.11687	4.5
128.06215	26.6
129.06987	31.6
130.07785	12.0
131.08554	61.0
132.09309	4.1
133.06483	7.1
133.10120	42.2
133.95613	1.8
134.07246	3.0
135.08054	24.5
135.11668	10.4
137.09641	4.5
138.10426	4.3
141.06958	17.1
142.07756	35.7
143.08548	86.3
144.09320	10.7
145.06416	10.1
145.08946	3.7
145.10107	74.2
146.07289	5.2
146.10938	3.2
147.08035	15.2
147.11665	18.6
148.08821	4.5
149.09644	11.3
151.11166	5.1
153.06952	9.4
154.07767	10.4
155.08519	33.2
156.09329	27.8
157.10115	81.5
158.07249	3.0
158.10907	10.9
159.08058	19.7
159.11682	30.5
160.08875	5.5
161.09613	25.5
161.13246	5.4
165.06946	13.9
166.07794	8.0
167.08563	21.1
167.10678	7.4
168.09337	14.6
169.10126	51.2
170.10962	13.7
171.08086	6.6
171.11681	42.4
172.08835	4.4
172.12274	2.8
173.09592	24.8
173.13239	17.1
174.10387	3.1
175.11174	7.5
178.07709	3.7
179.08572	24.1
180.09265	12.2
181.10109	33.0
182.10890	16.6
183.08104	6.0
183.11676	42.2
184.08772	2.3
184.12477	4.5
185.09645	16.1
185.13216	19.2
186.10370	3.9
187.11143	14.5
187.14815	4.0
188.11969	8.8
189.09122	6.4
189.12724	11.5
191.08626	4.0
191.14240	9.6
192.09325	13.0
193.10144	26.8
194.10861	15.8
195.08067	4.6
195.11693	42.4
196.08809	3.3
196.12410	9.1
197.09654	9.9
197.13229	33.1
198.10406	3.2
198.14076	6.0
199.11159	23.9
199.12846	2.7
199.14745	12.6
200.11914	3.9
201.12793	9.3
203.08530	3.8
203.14287	4.6
204.09297	3.5
205.10083	11.7
206.10896	12.1
207.11674	29.0
208.08678	3.0
208.12471	9.7
209.09669	4.8
209.13254	30.3
210.10411	5.9
210.14073	6.4
211.11147	13.6
211.14780	14.4
212.11902	5.9
213.12733	12.6
213.16336	5.9
215.10695	2.5
215.14371	6.4
217.10088	6.5
217.12169	2.8
217.15904	5.9
218.10922	6.8
219.11667	15.5
220.12482	6.3
221.09746	3.5
221.13234	21.0
222.14023	7.1
223.11232	9.9
223.14774	20.3
225.12679	15.8
225.16446	5.7
226.13518	3.0
227.14279	18.3
229.10175	5.2
229.15785	2.2
230.10901	3.5
231.11797	11.0
231.13846	3.1
232.12436	4.5
233.13280	19.3
233.15356	3.7
234.10503	2.0
234.14037	5.6
235.11180	3.2
235.14783	14.8
236.11827	2.5
236.15625	2.9
237.12776	7.3
237.16476	5.8
238.13562	2.7
238.17268	2.2
239.14371	5.8
239.17937	7.8
240.15216	3.2
241.15839	7.1
243.11655	4.4
244.12459	6.0
245.13232	9.3
245.15485	3.9
246.13986	5.6
247.14833	11.2
248.15559	5.3
249.12721	4.4
249.16403	8.3
251.14391	6.3
251.17998	2.6
253.15829	12.1
255.17538	4.6
257.13242	4.9
257.15683	2.9
257.19128	2.0
258.13898	4.5
259.14758	9.8
260.15552	3.6
261.12689	2.3
261.16367	9.8
263.14383	5.6
263.17947	5.4
265.15863	5.8
267.17419	5.1
269.13199	3.1
269.18954	4.5
270.14111	2.2
271.17001	7.5
273.15738	5.0
273.18524	82.5
274.19324	2.3
275.14471	4.3
275.17978	4.6
277.15964	6.8
277.19379	2.6
279.17456	3.0
281.19226	2.8
283.14883	3.7
286.19171	5.1
289.15829	13.4
289.19141	3.7
291.17514	6.5
291.21078	7.6
293.19040	3.9
297.18521	2.9
299.20135	27.1
301.19562	3.2
303.17441	2.9
307.20502	2.2
309.22211	3.9
311.20288	3.4
319.20648	9.4
325.21762	9.5
334.23056	2.6
337.21567	30.3
339.23227	3.2
343.20575	2.9
345.22122	3.0
349.21548	3.4
351.22922	6.1
352.23935	100.0
353.24680	8.7
357.21973	2.0
361.21609	2.5
363.23264	11.3
364.24313	2.2
365.24695	11.8
376.24020	6.8
392.27005	2.3
401.28534	3.3
429.27856	6.5
434.28156	10.6
443.29190	3.2
444.30237	40.8
445.31061	6.7
490.34363	12.1
526.34259	3.9
564.40179	4.1
582.40619	63.8
582.49829	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.2
53.00292	1.5
53.03941	10.2
53.68904	1.1
55.01864	8.4
55.05507	24.5
57.03434	11.7
57.07057	2.0
59.18616	1.2
60.89950	1.6
65.03921	4.4
65.38188	1.4
67.05497	62.8
69.03410	5.8
69.07058	28.7
69.80210	4.8
69.80624	3.5
71.04962	2.7
77.04007	1.3
79.05483	95.4
81.03398	5.8
81.07046	67.2
83.04964	5.7
83.08619	11.5
85.06543	5.3
90.12584	1.3
91.05469	82.8
92.05818	1.4
93.07030	91.8
95.01307	8.3
95.04957	21.6
95.07990	2.9
95.08591	44.6
97.06517	13.0
97.10154	3.9
98.21420	1.8
99.04449	3.2
99.08103	4.3
103.05468	2.7
105.04481	2.6
105.07014	75.6
107.04948	16.0
107.08574	29.4
109.06507	6.7
109.10152	12.1
111.08085	2.8
115.05478	3.8
117.07003	20.2
119.08567	46.2
121.06540	3.0
121.10131	41.0
121.10966	2.7
123.04393	1.3
123.08058	4.3
123.11724	2.8
125.09634	2.9
129.06967	7.3
131.08549	33.6
133.10110	39.9
135.08063	3.8
135.11684	12.6
137.09618	3.0
141.07001	2.7
143.08551	5.8
145.10109	26.7
147.11676	20.0
149.09628	6.7
149.13272	4.5
151.11153	2.0
153.12744	3.2
155.08588	1.9
157.10088	6.4
159.11679	13.4
161.09576	1.7
161.13252	6.9
163.11200	4.0
169.10150	2.8
170.69914	1.4
171.11737	4.4
173.13245	8.4
175.14742	2.3
177.12761	4.0
179.14325	13.1
181.62473	1.3
183.11639	1.9
185.13271	3.9
187.11235	3.2
187.14886	1.5
191.14444	2.7
197.13203	2.8
199.14854	1.7
201.16429	5.8
203.14365	2.9
211.14737	1.7
219.17404	100.0
229.19328	1.6
233.15346	1.6
233.18961	2.5
239.17998	2.2
241.14299	1.6
247.52953	1.3
257.18967	9.2
275.20035	79.9
293.21173	6.0
303.99631	1.6
313.02310	1.3
349.23669	3.0
540.64502	1.3
581.41931	77.0
582.42169	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.7
53.03929	4.3
55.01870	11.0
55.05503	15.7
57.03430	15.3
57.07073	1.4
65.03949	3.6
67.05497	42.4
69.03421	2.7
69.07059	9.3
69.91590	1.3
79.05483	59.2
81.03394	1.7
81.07043	40.1
83.04979	2.8
83.08603	7.8
84.72038	1.3
85.06535	4.3
91.05468	58.9
93.07029	42.4
94.75613	1.3
95.04971	11.1
95.08589	30.2
97.06535	4.4
98.92326	1.5
105.07021	28.2
107.04938	8.2
107.08577	30.0
109.06514	13.9
109.10144	7.7
111.08047	2.6
111.42560	1.3
115.05472	2.7
117.07007	18.4
119.08571	20.5
121.06557	1.5
121.10117	14.2
123.08105	3.1
125.09644	3.6
129.06982	8.6
131.08556	27.7
133.10114	14.6
135.08041	57.0
135.11670	6.4
137.09557	2.2
141.06999	1.4
143.08563	4.4
145.10112	14.3
147.11670	11.1
149.09581	11.3
149.13235	1.7
155.08566	1.6
156.09077	1.4
157.10146	9.3
159.11661	4.5
161.13173	3.1
163.11189	2.8
163.14799	2.6
169.10025	3.2
171.11710	4.0
173.13235	25.5
175.11194	11.5
183.11719	2.8
185.13298	2.1
187.14850	1.8
191.14285	100.0
192.14700	1.7
209.13217	1.6
211.14890	3.1
229.15799	7.7
247.16936	12.0
252.29179	1.7
261.22147	2.3
265.18069	3.0
275.19968	4.5
335.25970	3.0
442.19009	1.4
581.33478	2.5
581.41992	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
55.01864	1.6
55.05503	17.0
55.94242	0.7
57.03433	4.3
57.07067	1.2
65.03930	1.2
67.05499	27.3
69.07063	15.3
71.04972	2.3
71.55928	1.6
79.05482	19.2
81.07046	30.6
82.97916	0.8
83.04971	1.6
83.08609	5.8
85.06535	1.5
88.78264	0.9
91.05465	19.1
93.07033	20.8
95.04958	4.0
95.08598	21.8
97.06518	3.0
97.10168	3.1
99.08075	1.6
103.05433	1.4
105.07023	17.5
107.08577	14.1
109.06511	1.9
109.10146	10.2
111.08074	1.8
115.05418	2.2
117.07014	10.8
119.08576	17.0
121.10125	10.8
123.08104	1.9
123.11689	2.1
125.09614	2.6
128.06195	4.5
129.05502	0.8
129.06998	11.3
130.07832	1.5
131.08556	18.2
133.10112	18.1
135.08017	1.1
135.11664	5.5
137.09619	0.9
137.13274	1.2
141.06972	5.9
142.07788	3.7
143.08548	18.1
143.09604	1.1
144.09322	1.2
145.10107	17.5
147.08115	0.9
147.11684	8.8
149.09596	1.7
149.13248	3.7
151.11143	1.5
151.14778	1.0
153.06998	2.4
154.07764	2.7
155.08530	15.2
156.09273	2.3
157.10123	19.0
158.10901	1.2
159.11688	11.2
161.09584	1.2
161.13255	3.5
163.14796	1.5
165.06953	1.5
166.07741	1.4
167.08536	8.2
167.10669	1.6
168.09319	3.2
169.10120	17.5
170.10857	1.6
171.11673	18.0
172.12283	0.8
173.13274	9.0
175.14864	3.1
177.09094	0.8
179.08499	3.7
180.09357	1.6
180.44223	0.7
181.10089	11.2
182.10905	1.6
183.11668	18.7
184.12418	0.9
185.13216	11.3
187.14809	4.0
189.16447	1.7
192.09210	1.1
193.10110	4.1
194.10915	1.6
195.11668	11.9
196.12386	1.5
197.13246	13.8
199.11244	1.0
199.14784	9.6
201.16357	1.8
205.10124	1.9
206.10822	1.2
207.11705	5.7
209.13240	12.4
210.14011	1.0
211.14807	9.6
213.12787	1.3
213.14667	1.4
213.16400	7.3
215.14224	1.2
215.17915	1.2
219.11743	2.3
220.12582	1.1
221.13246	5.6
221.15210	1.4
222.13982	1.4
223.14793	8.5
225.16432	6.0
227.14413	1.0
227.18008	3.3
231.11734	1.0
233.13295	2.1
235.14812	4.3
237.16348	5.5
239.17975	4.8
241.19746	1.4
247.14854	2.3
249.16394	4.5
251.18019	4.6
253.19492	2.6
255.17363	1.7
261.16299	1.0
263.18039	3.0
265.19626	3.8
267.21005	1.6
275.17767	1.8
277.19470	1.4
279.21167	1.6
281.18802	1.5
283.20526	1.3
287.20081	1.1
291.21002	1.9
293.19107	1.1
293.22491	1.0
295.20258	1.2
297.22232	1.1
305.22736	1.5
309.22049	1.3
311.20184	1.8
311.23685	1.2
313.21762	1.3
321.21899	0.9
323.23727	2.8
335.23672	1.2
337.25439	1.6
339.23193	0.9
347.23526	0.8
349.25269	1.4
351.23053	1.2
351.26904	1.6
363.26886	1.1
365.24570	1.2
365.28784	1.1
367.26334	1.4
377.28375	2.4
379.26187	1.1
389.28241	1.1
391.30029	1.7
393.27374	1.1
407.29364	1.1
409.31259	1.1
419.29861	1.4
421.31201	1.0
433.30914	2.4
445.29517	1.0
471.36401	5.1
483.34836	1.1
489.37250	19.7
490.37445	1.0
507.38391	6.9
511.34399	2.1
525.39874	1.4
545.39996	2.0
563.40771	16.1
564.40802	1.1
581.41919	100.0
582.42041	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01866	2.6
55.05503	18.4
57.03433	3.2
57.07062	3.9
59.04996	3.1
65.03934	2.9
67.05499	35.9
69.03412	7.1
69.07067	18.6
71.04977	3.5
71.75916	3.7
79.05485	32.1
81.03407	2.4
81.06593	2.8
81.07047	36.6
83.04965	6.9
83.08610	8.3
85.06544	3.9
91.05462	36.7
93.07031	41.3
95.04954	12.3
95.08601	28.3
97.06485	8.6
97.10142	2.2
100.63055	1.5
103.05456	3.5
105.07015	49.6
107.04923	2.4
107.08581	33.5
107.84792	1.6
109.06518	7.4
109.10147	17.8
111.08097	3.7
116.06283	2.3
117.07003	16.2
119.04945	2.2
119.08569	42.1
121.06483	6.5
121.10124	43.4
123.08072	11.4
123.11709	7.9
125.09644	3.4
128.06197	7.2
129.06981	15.2
130.07764	3.2
131.08554	26.8
133.06473	2.5
133.10121	40.2
135.08018	9.6
135.11703	10.2
137.09613	8.1
139.11197	2.9
141.06982	9.0
142.07750	9.2
143.08540	24.5
144.09288	3.7
145.10114	37.1
147.08049	11.1
147.11678	13.9
149.09608	16.1
149.13257	3.3
151.07512	11.4
153.07018	2.2
154.07777	3.0
155.08527	15.3
156.09338	10.0
156.30591	2.2
157.10110	30.2
158.10873	6.0
159.08044	5.6
159.11655	19.0
161.09622	6.4
161.13210	7.8
163.11176	5.2
165.07016	3.3
165.09076	15.5
167.08490	8.0
167.10654	24.3
168.09351	4.0
169.10112	16.3
170.10902	6.7
171.11687	19.1
172.08806	1.8
173.09677	4.0
173.13254	20.3
175.11159	4.0
175.14783	5.0
179.08588	6.4
180.09270	3.5
181.10085	10.9
181.12262	4.1
182.10934	5.0
183.11694	18.0
185.09618	4.0
185.13223	12.2
186.10487	1.8
187.11201	4.0
187.14789	8.3
189.12766	6.4
191.08578	2.0
191.14281	4.6
192.09314	4.1
193.10069	10.1
194.10905	2.9
195.11693	17.5
196.12398	3.4
197.13228	13.9
199.11211	3.0
199.14763	8.9
201.12801	2.6
201.16406	2.3
203.14287	7.4
205.10049	2.0
206.10913	4.5
207.11697	11.3
207.13817	4.9
208.12456	3.9
209.13293	16.2
210.10251	2.3
210.14079	2.3
211.11237	3.8
211.14819	11.7
213.12793	4.7
213.16455	5.7
215.14326	5.5
217.15796	1.7
218.11023	1.8
219.11696	4.6
220.12477	3.7
221.13246	9.5
221.15382	30.0
222.13965	2.5
223.14778	7.8
224.15642	1.8
225.12878	1.9
225.16435	7.6
227.14294	4.1
230.10872	2.4
231.11644	3.3
233.13220	5.2
233.15431	9.7
234.13971	3.1
234.36647	1.7
235.14807	7.5
236.11945	1.7
237.16422	5.1
239.14285	3.0
239.17947	3.6
241.15898	1.9
243.11719	2.4
244.12375	2.6
245.13281	3.6
246.13972	2.9
247.14772	4.5
247.16994	2.7
249.16391	4.9
251.17990	4.9
257.13284	2.4
257.19122	4.7
259.14871	4.4
260.15515	2.0
261.16342	4.5
263.18005	3.5
265.15689	2.5
265.19614	4.7
273.16177	3.0
275.14407	1.8
275.20050	6.3
279.17435	2.0
281.19000	2.0
283.20645	1.7
287.20181	2.6
289.19357	3.1
291.17456	2.1
295.20447	2.1
299.20151	2.5
303.20877	1.8
309.21786	1.7
312.20853	8.0
317.19235	2.2
345.26346	1.9
347.23657	2.1
355.23935	2.2
359.23593	3.3
373.25317	5.0
393.23914	2.1
401.28308	2.5
459.29141	2.1
471.36148	3.1
489.37698	7.7
507.38162	2.1
552.32184	1.9
553.40100	2.1
563.39276	15.6
581.40747	100.0
582.40833	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.8
55.01846	1.3
55.05264	1.1
55.05506	14.5
57.03424	3.1
57.07071	2.8
59.04987	1.0
62.67107	0.6
63.72280	0.7
65.03932	1.8
67.05498	25.6
69.03419	2.1
69.07057	18.4
71.04988	2.9
71.75534	1.1
79.05482	25.9
80.43692	0.7
81.03430	0.8
81.07046	31.8
83.04977	3.7
83.08611	6.5
85.06530	2.7
90.43584	0.7
91.05466	23.0
93.07034	28.4
95.04954	7.7
95.08594	25.2
97.06518	4.7
97.10168	3.3
99.08088	1.5
103.05477	1.7
105.07016	30.0
107.04921	1.8
107.08578	19.8
109.06487	6.2
109.10149	12.4
111.08054	1.8
111.11690	1.3
113.09653	0.8
115.05437	2.4
117.07009	10.4
119.08563	27.9
121.06535	2.3
121.10132	22.5
123.08048	5.8
123.11678	4.8
125.09616	2.1
128.06216	4.0
129.06996	14.1
130.07819	2.3
131.08557	21.0
132.09393	0.8
133.06490	2.4
133.10110	30.2
135.08072	4.6
135.11662	8.3
135.12457	0.7
137.09647	2.6
137.13200	1.3
139.11177	1.9
141.06976	7.4
142.07777	7.3
143.08545	18.6
143.09612	1.2
144.09322	2.2
145.06438	1.4
145.10106	25.7
147.08057	2.9
147.11665	9.6
149.09590	6.1
149.13266	3.4
151.07549	3.2
151.11259	0.9
153.07034	2.4
154.07782	2.7
155.08543	12.1
156.09314	5.7
157.10109	23.2
157.11378	1.2
158.07227	1.0
158.10873	2.0
159.08078	2.1
159.11667	14.8
161.09633	2.4
161.13217	4.5
163.11136	1.9
163.14745	1.0
164.65303	0.8
165.07039	2.8
165.09099	3.6
166.07817	1.5
167.08546	8.4
167.10664	12.9
167.11998	1.1
168.09406	2.7
169.10106	20.2
170.10951	3.2
171.11653	17.5
171.13034	1.0
173.09628	2.3
173.13235	13.5
175.11215	2.0
175.14810	4.2
177.09056	0.8
177.12718	1.1
178.07806	0.9
179.08524	5.3
180.09387	2.0
181.10106	10.5
181.11826	0.9
181.12123	0.7
182.10912	2.8
183.11665	18.8
184.12483	1.5
185.09671	2.1
185.13223	11.3
187.11145	1.9
187.14796	7.0
189.12766	3.0
189.16370	1.8
191.14374	1.9
192.09323	1.1
193.10104	5.7
193.11722	0.6
194.10928	2.4
195.11679	14.1
195.13495	1.1
196.12502	2.6
197.09467	0.9
197.13225	14.9
199.11302	1.0
199.14801	8.9
201.12666	1.8
201.16365	4.7
203.14374	3.4
204.09236	0.8
205.10170	2.2
206.10951	2.5
207.11722	6.4
207.13655	1.6
208.12488	1.6
209.13229	11.2
210.13939	1.3
210.49898	0.8
211.11258	1.1
211.14793	10.8
213.12848	1.6
213.16393	4.6
215.14304	3.0
217.10144	1.5
217.15999	1.1
218.10991	1.4
219.11751	2.5
220.12358	1.3
221.13263	5.9
221.15417	8.3
223.11334	0.8
223.14793	7.9
224.15512	0.8
225.16322	5.7
227.14423	1.3
227.18022	3.0
229.15906	2.9
231.11821	1.3
233.13231	4.3
233.15419	5.2
234.14020	1.3
235.14745	4.3
237.12787	1.1
237.16356	6.2
239.14308	1.3
239.18048	4.4
241.15965	1.3
241.19534	2.1
244.12636	0.8
245.13362	1.8
246.14099	0.9
247.14861	2.7
247.17055	1.6
249.16402	3.1
251.18063	3.0
253.15874	1.1
253.19530	3.1
255.17419	1.5
255.21300	1.1
257.18979	1.6
259.14816	1.4
260.15683	1.1
261.16418	2.3
263.14343	1.0
263.18018	2.8
265.19550	2.3
267.17529	1.5
267.21121	1.3
269.18927	1.2
271.20569	0.7
273.16150	1.0
273.18680	1.1
275.17786	1.6
275.20364	1.3
277.16180	1.2
277.19568	3.5
279.17706	1.1
279.21176	2.2
281.18970	1.2
285.18558	1.2
289.19437	1.5
291.17328	1.0
291.21088	2.1
293.18976	1.6
293.22504	1.3
295.20499	1.6
297.18683	1.3
299.20392	1.2
307.20547	1.4
309.21960	0.9
311.20151	1.2
312.20850	2.0
321.22330	1.5
323.23703	1.7
335.23495	0.9
337.25293	1.3
347.23413	0.9
349.25443	1.1
351.23172	1.2
351.26968	1.5
353.24924	1.2
359.23721	1.9
363.22949	1.1
363.27097	1.2
365.24786	1.0
365.29028	1.1
377.28366	2.0
379.26129	1.2
391.30191	1.9
395.29639	0.9
401.28287	1.2
407.29462	1.3
409.31573	0.8
419.29620	1.9
433.30865	1.1
471.36133	3.1
483.35156	1.2
489.37329	14.6
507.38144	5.2
527.38452	0.9
545.39288	1.4
563.40436	14.6
581.41663	100.0
582.42279	3.7
596.61426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
54.05984	1.0
55.05499	7.9
56.05029	3.1
57.03432	2.5
57.07068	1.2
63.94724	1.2
67.05495	6.5
69.03393	1.2
69.07063	7.4
70.06575	4.0
70.55389	3.7
71.08620	10.0
72.08143	2.1
79.05484	6.0
79.11194	1.0
80.05795	0.9
81.03417	4.8
81.07037	12.6
82.06579	1.5
83.04984	1.5
83.07359	2.4
83.08608	4.2
86.06043	7.9
91.05479	4.5
93.07037	7.6
95.04942	2.3
95.08602	4.8
96.08122	7.6
97.06535	4.7
98.06039	1.1
98.09679	100.0
99.08083	4.2
105.06998	2.5
107.08576	4.6
109.10141	1.9
116.10712	50.4
119.08597	2.2
121.10111	1.9
122.09722	2.0
123.08076	1.2
124.07598	1.8
124.99992	3.6
126.09122	1.2
133.10146	1.3
135.11661	1.2
142.12262	3.7
144.51904	1.1
146.34897	1.1
146.90637	1.2
149.13287	4.3
166.15854	1.2
167.14291	1.8
173.11725	6.1
173.13123	1.1
178.15955	5.2
196.07335	18.1
196.16953	39.0
214.17981	22.6
231.15901	4.2
238.18027	1.9
252.10045	6.4
269.17645	2.0
270.10974	20.0
287.18582	10.3
292.22672	2.9
294.14545	6.1
310.23618	7.5
328.24808	4.0
350.17288	10.6
368.18283	87.3
369.18539	2.2
390.30103	1.4
408.21872	1.8
408.31027	20.0
408.36362	1.3
464.23877	4.5
482.24942	17.3
562.30426	1.9
572.08545	1.4
580.31464	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51363	1.6
53.03937	7.5
55.01859	11.0
55.05503	23.0
56.34670	1.8
57.03428	4.6
57.07062	2.3
65.03933	3.9
67.05495	58.6
69.03423	2.6
69.07058	45.2
71.04982	4.7
71.08619	1.7
71.75704	2.6
77.47698	1.6
79.05484	53.9
81.03402	9.9
81.07047	60.8
83.04955	8.3
83.08598	12.5
85.06535	4.1
91.05465	95.0
93.07030	50.4
95.01290	9.9
95.04957	15.6
95.08596	43.7
97.06510	21.5
97.10165	4.3
99.08086	3.0
103.05476	3.1
105.07014	100.0
106.07319	1.7
107.04945	24.2
107.08577	27.5
109.06520	5.4
109.10143	13.1
111.08109	3.7
115.05428	5.1
117.07001	25.8
119.08565	70.8
121.06508	4.9
121.10133	19.7
122.38761	1.7
123.04453	4.2
123.08076	7.1
123.11681	3.6
125.09633	3.9
128.06235	6.4
129.06993	20.5
131.08551	40.9
133.06480	2.1
133.10104	61.7
135.08066	6.5
135.11673	10.8
137.09650	4.6
140.40332	1.7
141.07007	5.7
142.07748	3.9
143.08530	18.5
144.09303	1.9
145.06432	3.5
145.10097	31.3
147.08011	3.4
147.11665	26.6
149.09641	9.3
149.13286	5.7
155.08586	5.0
157.10127	17.5
159.11678	20.2
161.09735	3.3
161.13275	7.8
163.11203	3.6
165.06963	2.6
167.08586	4.7
169.10106	10.4
171.10303	3.2
171.11684	21.5
173.13258	5.8
177.12759	5.0
179.14285	11.5
181.10175	6.0
181.12245	2.3
182.10910	1.9
183.11635	9.7
185.13275	7.0
187.11128	3.4
187.14877	5.7
189.12880	1.9
189.16362	11.4
193.10178	3.6
195.11734	5.6
197.13269	6.2
203.17990	5.4
205.12225	1.9
207.11833	3.3
209.13264	5.5
211.14822	4.8
213.16331	28.7
221.13225	1.8
223.14908	3.0
229.15877	2.0
229.19485	2.2
231.11751	1.9
231.17415	10.4
235.14877	2.8
237.16554	2.5
239.18083	3.0
241.14384	2.6
248.40781	1.6
257.19052	6.0
275.20026	58.7
279.74487	1.7
285.98254	2.5
287.20081	7.0
293.21356	2.7
297.11316	1.7
299.20557	2.2
311.19711	1.7
349.23672	29.0
409.31360	1.7
441.29742	2.3
452.50449	1.8
505.36890	2.0
523.37775	2.1
579.40399	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.01855	3.7
55.05500	12.7
57.03436	6.1
57.07056	3.6
57.28627	1.0
58.44143	1.0
65.03928	3.0
67.05495	70.9
69.03422	5.3
69.07063	16.4
71.04972	3.2
71.08596	1.4
71.48779	2.3
73.02908	2.4
75.04480	1.2
79.05020	1.3
79.05484	39.2
81.03414	6.9
81.07044	73.0
83.04960	2.8
83.08611	9.9
85.02869	3.5
85.06509	2.8
91.05469	23.5
91.20584	0.9
91.60794	0.9
93.07029	55.5
95.04953	6.2
95.08595	54.3
97.02875	2.7
97.06505	4.1
97.10143	4.5
98.98444	8.8
99.04423	3.5
99.08048	1.7
105.07012	23.1
107.04932	1.3
107.08580	35.2
109.02876	7.1
109.06489	2.6
109.10140	31.6
110.03642	4.0
111.04425	3.2
111.08059	2.5
113.09624	1.8
117.07014	9.9
119.08564	20.2
121.06464	1.3
121.09242	1.8
121.10125	35.8
123.08022	2.7
123.11697	16.6
125.09555	1.7
127.03895	4.3
128.06183	1.5
129.06966	2.3
130.07677	1.5
131.08543	22.0
132.99484	2.0
133.10103	19.7
135.08072	1.6
135.11676	23.5
137.09561	2.3
137.13257	6.8
139.11121	2.9
141.06923	1.5
143.08524	4.0
145.10109	17.2
147.07997	1.1
147.11674	13.1
149.09641	2.3
149.13242	15.6
151.11182	2.3
151.14771	2.3
153.12708	1.3
155.01003	8.0
155.08395	2.1
157.10101	4.5
159.08080	1.2
159.11687	15.0
161.13254	10.2
163.11107	2.1
163.14781	12.6
165.12759	2.3
165.16362	1.1
167.08553	1.9
167.10608	1.2
169.10100	3.0
171.11649	3.4
173.11836	2.1
173.13242	16.3
175.14796	3.7
177.12633	1.0
177.16333	5.2
179.14253	2.4
181.10020	1.6
183.11633	1.6
185.13313	2.2
187.11115	1.2
187.14806	7.8
189.16350	1.4
191.00031	3.2
191.14284	1.2
195.11671	2.9
197.13162	2.5
201.16316	2.4
207.11800	1.7
209.13203	2.0
211.14778	1.3
211.48776	1.2
213.12672	1.1
215.17928	1.1
219.17430	1.9
223.14708	1.7
229.14232	1.1
233.22591	2.8
235.14908	1.7
237.16397	1.5
239.17865	1.2
243.21049	25.5
245.22542	2.8
259.20609	1.3
261.22107	100.0
263.23636	4.3
275.20251	1.2
275.23633	1.4
279.23224	2.6
303.23236	2.2
317.06439	1.2
335.25748	13.2
337.27341	7.1
353.26828	74.5
354.27090	1.5
369.24142	1.7
377.26764	2.2
443.27737	2.0
451.21121	1.9
469.22357	1.5
487.34952	1.9
543.36212	1.5
561.27191	4.7
561.37598	3.3
579.32336	1.3
579.39941	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2595
Annotation	Phellophyll a
Peak:m/z	Relative Intensity
58.96544	1.2
71.75011	2.3
74.06496	1.3
182.51758	1.2
193.65477	1.5
274.94379	1.5
289.07297	1.2
291.22885	1.3
377.17569	2.2
378.18542	2.3
379.19409	2.2
391.19067	2.7
393.20840	3.6
404.19867	2.0
405.16382	1.9
405.20923	3.4
406.17520	2.3
407.22372	4.1
408.22729	1.9
421.19788	9.0
433.16541	3.9
434.16782	1.8
435.17261	7.7
436.22745	15.6
437.23163	1.5
445.20306	1.5
447.21869	5.6
448.19165	4.0
449.19244	12.8
450.24640	2.2
460.22549	2.5
462.19992	1.6
463.20972	13.1
464.21768	2.5
467.37805	1.7
474.24020	2.2
475.21072	16.1
477.22858	5.6
491.24530	2.8
492.21371	18.6
498.72638	1.6
503.24567	3.1
507.27463	1.9
508.24411	2.0
519.23944	4.4
523.27191	14.8
535.26770	3.5
547.23285	3.1
551.26440	26.8
579.25940	100.0
580.26001	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1705
Annotation	Isovitexin 4'-O-rhamnopyranoside
Peak:m/z	Relative Intensity
52.03999	0.7
55.01865	1.8
55.68506	0.8
57.03423	4.4
70.06576	2.1
70.21423	4.4
71.04986	32.4
72.81711	0.8
75.04478	1.0
78.65498	0.8
81.03417	1.2
83.04987	1.3
85.02374	1.8
85.02894	34.5
109.02891	1.2
119.04939	2.7
121.02850	8.8
129.05458	4.9
145.02817	2.9
149.02409	1.1
163.03897	3.2
165.01762	7.7
167.03395	4.1
177.05537	1.1
181.04851	1.7
183.02933	2.3
187.04079	1.0
191.03358	1.2
195.02896	2.0
207.02943	0.9
211.07384	0.9
233.04404	1.5
239.07004	1.7
243.02856	1.0
255.06610	1.4
256.07260	2.0
267.06500	9.8
270.05206	3.9
271.06039	8.2
279.06540	1.3
281.05203	0.9
281.08099	6.5
283.05984	100.0
284.06686	15.6
285.07278	1.4
295.06076	13.6
295.09583	2.6
297.04544	1.0
297.07520	5.4
305.08264	1.7
307.05930	3.0
308.06705	1.5
309.04025	2.1
309.07495	24.6
311.05539	1.4
313.07037	93.0
314.07309	2.0
317.06561	10.2
321.07602	2.4
323.09045	18.1
325.07217	1.4
333.07471	4.7
337.07028	44.9
349.06989	11.7
351.08508	3.5
361.07016	9.9
367.08072	29.9
379.08054	20.1
397.05124	0.6
397.09125	24.4
415.04642	2.2
415.10205	42.5
416.10464	1.1
433.11279	62.9
434.11618	1.2
570.29089	1.0
579.17303	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1703
Annotation	Isovitexin 4'-O-rhamnopyranoside
Peak:m/z	Relative Intensity
53.70206	1.0
55.01861	1.9
56.01448	1.1
57.03432	5.2
65.34264	1.2
67.05475	1.5
69.03410	2.3
69.72549	5.7
69.72957	2.5
71.04607	1.6
71.04982	25.9
75.04437	1.2
79.05482	1.5
85.02892	29.9
91.05431	2.1
93.06968	1.2
97.06506	2.6
97.68517	0.9
98.20700	2.5
109.06500	1.5
114.61298	1.0
119.04932	2.0
121.02846	4.6
127.03880	1.4
129.05486	6.0
137.02338	2.2
137.09595	1.3
141.01746	1.1
161.02367	1.8
163.03857	3.4
165.01817	12.7
167.66928	1.3
179.03320	3.0
183.02872	7.7
229.04994	1.2
241.12392	1.8
246.73842	1.2
267.06522	4.5
270.05099	2.1
271.05994	15.2
272.06311	1.2
273.03973	1.3
279.06476	4.5
281.08109	10.3
283.05978	100.0
284.06598	7.8
287.05557	1.9
294.05191	1.4
294.24982	1.1
295.06006	17.1
295.09326	2.2
297.04074	2.1
297.07495	16.8
299.05475	26.3
305.08072	2.6
307.05991	17.0
308.06674	3.2
309.04022	2.2
309.07474	25.7
311.05426	7.4
311.08850	2.1
311.12631	1.3
313.03592	1.7
313.06970	37.7
314.07303	2.1
323.05457	10.6
323.09079	17.2
325.07037	11.3
327.08472	3.2
333.07611	6.5
335.05328	5.1
335.08896	1.5
337.06998	27.6
339.08560	4.7
343.07959	2.4
351.08588	23.5
353.06430	7.7
353.10272	2.0
355.08093	7.2
361.06870	3.6
363.08542	1.3
369.09763	3.0
379.08072	46.4
381.09778	9.7
397.09143	78.9
398.09332	2.4
399.10721	9.4
415.10193	83.7
417.11725	2.1
433.11319	17.0
449.10971	1.3
475.12482	1.9
505.13202	2.1
517.13458	5.1
543.14648	3.8
544.14398	1.5
561.15875	18.1
579.17035	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1705
Annotation	6-C-Glucopyranosyl-8-C-arabinopyranosylgenkwanin
Peak:m/z	Relative Intensity
51.87937	0.6
57.03426	0.8
61.02928	0.8
64.21332	0.6
65.03940	0.7
65.28078	0.6
68.99801	0.8
69.03427	4.0
70.82137	1.9
81.03384	1.0
84.38052	0.6
85.02898	1.2
90.10559	0.6
93.03401	1.1
97.02924	0.8
107.04929	2.3
112.01893	0.5
122.49171	0.6
125.31252	0.6
131.04945	0.9
135.04391	2.9
137.02338	7.4
141.01819	0.9
147.04424	1.5
161.02348	8.6
163.03888	1.1
165.01823	13.4
165.05365	1.0
175.03917	2.5
177.05521	0.7
179.03372	11.0
183.02876	7.6
191.03345	1.1
193.04973	1.0
197.04422	0.9
203.03397	2.5
207.02890	1.6
209.04358	1.1
221.04453	1.5
229.04977	1.3
245.04437	2.9
247.05984	1.3
271.06046	0.9
281.08157	0.8
283.06006	1.8
285.07449	1.1
286.04819	1.5
287.05490	14.1
295.05945	2.0
297.07596	2.7
299.05478	100.0
300.05856	2.2
301.17401	0.7
309.07507	8.1
311.05405	4.4
311.09137	2.1
313.03540	3.4
313.07016	56.2
319.06052	4.3
321.07642	1.8
322.61334	0.8
323.05438	8.1
324.06305	3.5
325.07031	26.3
327.08597	16.1
335.09143	0.8
337.07037	70.4
338.07568	1.8
339.04523	1.5
339.08594	23.1
343.08118	7.0
353.10223	8.4
355.08115	18.1
363.08542	6.9
381.09662	31.8
382.10123	0.9
399.10712	15.6
449.10712	10.1
461.10852	4.3
475.12454	11.8
499.12296	4.0
505.13367	15.2
517.13379	29.6
518.13068	0.9
543.15002	21.4
544.15564	1.0
561.15973	65.8
562.16333	2.2
579.16998	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1702
Annotation	Molludistin 2''-O-glucoside
Peak:m/z	Relative Intensity
53.79221	0.7
64.54882	0.6
69.03429	4.8
70.47383	2.4
75.23982	0.6
95.04942	1.3
107.04908	1.4
113.06009	0.7
119.04957	0.8
131.04878	0.8
135.04411	2.0
137.02322	5.6
141.01796	1.0
147.04396	2.5
156.58553	0.7
161.02322	7.2
163.03896	1.0
165.01811	12.0
165.05382	0.7
175.03883	2.1
179.03378	7.2
183.02910	5.1
189.01859	0.9
191.03285	1.0
193.04955	0.9
195.16977	0.7
197.04387	1.1
203.03406	2.3
207.02861	1.8
209.04460	2.3
221.04465	1.5
229.04883	0.8
238.06024	0.7
242.49033	0.8
245.04346	2.2
247.06081	0.9
271.05948	2.0
283.06009	1.9
286.04709	1.6
287.05460	16.3
288.05472	0.9
295.05978	2.4
297.07587	2.6
299.05472	100.0
300.06036	3.5
309.07532	8.6
311.05450	2.4
311.09204	2.6
313.03815	2.1
313.07022	58.5
314.07388	1.8
319.05954	3.6
321.07303	1.1
323.05521	8.2
324.06293	1.9
325.07040	19.7
327.08582	14.6
335.09143	1.7
337.07037	71.7
338.07532	2.2
339.08603	20.4
340.08859	0.7
343.08096	17.8
353.10242	7.3
355.08096	31.0
356.08450	1.6
363.08536	8.6
381.09686	40.9
399.10709	65.0
400.11041	2.5
417.11765	17.8
418.11829	0.8
449.10745	7.3
450.10965	0.9
475.12296	5.8
505.13333	5.8
517.13434	13.1
543.15015	5.7
561.15985	36.9
562.15906	2.8
579.08228	1.3
579.17065	18.9
580.18127	1.1
597.94843	0.8
601.50006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1702
Annotation	Isovitexin 4'-rhamnoside
Peak:m/z	Relative Intensity
50.50230	0.8
55.01862	1.5
57.03436	5.6
59.03197	0.7
67.05480	0.7
69.03416	1.1
69.44057	7.4
70.06572	1.6
71.04612	1.3
71.04987	22.5
75.04472	0.8
78.19347	0.7
81.03396	1.0
83.04968	0.9
84.08108	1.2
85.02903	26.4
86.09694	1.0
87.04465	0.9
91.05470	1.2
95.04928	0.8
97.06477	1.1
111.04420	1.3
119.04940	2.3
121.02852	3.5
127.03876	1.6
129.05472	4.4
141.01747	1.0
145.02840	1.0
149.02292	0.9
163.03891	2.1
165.01820	8.9
167.03329	1.0
179.03337	0.9
183.02846	5.9
187.03850	1.3
195.02824	0.8
201.68584	0.7
205.04987	1.4
229.05042	0.8
267.06525	5.1
270.05115	1.5
271.06000	15.7
279.06561	3.4
281.08026	6.5
283.05984	100.0
284.06671	7.9
294.05392	0.8
295.06073	14.1
295.09573	2.0
297.03952	2.1
297.07513	13.4
299.05569	6.6
305.08060	2.0
307.05945	9.6
308.06677	2.8
309.04178	1.3
309.07556	17.9
311.05396	4.8
311.08978	2.2
311.12653	1.6
313.07019	29.6
323.05457	8.8
323.09113	32.2
325.07159	3.9
333.07541	5.1
335.05606	2.3
337.07016	10.4
341.06357	0.9
351.08591	22.0
352.09106	0.9
353.06604	4.7
355.07773	1.0
355.15292	1.3
361.07050	4.2
369.09500	3.4
379.08090	56.8
380.08261	1.6
387.18063	0.9
397.09152	78.1
398.09467	1.6
415.10226	56.3
416.10660	1.7
433.11249	22.3
561.15369	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.17
Annotation	Isovitexin 4'-rhamnoside
Peak:m/z	Relative Intensity
55.01860	3.8
57.03417	5.1
69.03411	5.9
69.87319	1.2
70.04002	6.5
70.06589	2.9
70.53371	1.3
71.04982	37.7
75.04479	1.9
80.10502	1.4
83.04950	1.6
85.02890	38.2
86.09695	2.7
93.96457	1.1
97.02901	2.2
100.45341	1.3
121.02827	1.9
129.05464	7.7
137.02269	2.9
149.05988	1.5
151.03896	6.7
159.56456	1.3
161.02341	1.5
165.01833	6.4
167.03348	2.6
175.03780	1.7
179.03358	2.6
181.04956	2.3
183.02872	4.7
187.03766	1.3
201.09120	1.8
203.03447	1.2
207.02794	1.8
217.04855	1.6
219.10147	3.7
221.04460	2.3
254.05669	1.7
270.05185	1.8
271.05945	27.3
272.06204	2.2
282.05246	1.9
283.05841	3.2
286.04742	1.7
287.05405	3.0
296.06769	5.7
297.07559	5.9
298.04703	10.1
299.05429	20.6
300.06165	6.6
301.07071	4.0
308.06787	5.0
309.07556	3.6
310.04715	3.9
311.05615	2.7
311.09167	4.0
312.06244	5.3
313.07007	75.3
314.07596	6.5
324.06232	9.5
325.06976	14.7
326.07831	2.3
327.08536	13.8
328.05737	13.2
329.06482	16.2
335.09311	1.8
336.06256	14.4
337.06897	14.6
339.05002	1.9
339.08594	14.9
341.10114	3.0
343.08057	61.6
344.08365	2.1
351.08569	24.4
353.06488	5.3
355.08072	11.7
363.08105	2.0
364.05789	7.1
367.08063	43.0
368.08487	1.8
369.09613	3.1
379.08063	42.7
381.09784	6.6
397.09122	100.0
398.09500	4.4
399.10617	9.7
411.10504	2.2
415.10214	46.8
416.10498	2.9
417.11581	3.7
429.11823	1.6
433.11246	69.8
434.11682	3.0
492.47528	1.8
561.14862	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01865	2.2
55.05503	3.1
57.03421	4.1
58.82766	1.4
63.17221	1.3
67.05486	3.5
69.03416	13.6
69.07052	1.4
69.66487	1.4
70.06575	2.6
71.04989	11.3
71.74265	1.9
79.05467	5.1
81.03396	5.8
81.07043	10.1
84.04480	1.5
85.02440	2.5
85.02898	25.2
86.09688	5.0
87.04446	1.9
91.05450	11.0
93.07044	9.0
95.04968	4.2
95.08600	4.1
97.02885	32.6
97.06524	3.2
99.04462	3.3
100.64461	1.4
105.07018	19.7
107.04944	58.2
107.08562	4.4
109.02855	5.8
109.06490	3.7
117.07006	5.1
119.08559	4.4
120.08076	4.6
121.06527	2.3
121.10106	1.9
123.11674	5.0
127.03899	11.0
128.06204	5.3
129.05453	1.6
129.07016	9.4
131.08556	18.2
133.10115	39.6
135.04434	2.5
137.02290	1.8
137.09476	1.6
138.02603	1.4
141.06927	8.5
142.07748	9.4
143.08553	20.7
145.04941	13.9
145.06476	3.8
145.10106	7.0
147.04376	2.0
147.08110	2.2
147.11684	1.6
151.11157	37.2
153.05592	3.4
153.06982	6.3
155.08540	23.8
157.06512	1.7
157.10104	29.1
159.08002	5.6
159.11630	4.8
161.02301	1.7
165.01807	7.3
167.08534	2.4
168.09326	33.7
169.10089	3.5
173.05937	2.8
173.09630	2.7
173.13242	10.0
175.07445	2.2
175.11115	3.7
179.03371	3.8
181.10130	6.3
183.02925	3.1
183.11673	100.0
185.09509	3.3
185.13269	6.7
187.07512	3.2
193.10104	7.8
196.08676	2.2
201.09091	2.3
201.12704	23.7
203.10637	5.6
207.03049	1.8
211.11150	23.5
211.15562	1.7
215.07001	1.8
219.13747	1.9
229.12204	59.6
247.13251	22.8
265.14325	63.3
271.05930	3.3
283.06015	13.2
284.06433	2.5
287.05331	1.9
288.05856	2.3
295.05966	3.5
297.07294	4.0
298.07785	2.2
299.05478	31.4
300.05789	13.6
307.06158	2.6
309.07544	5.0
311.05359	5.4
311.09021	2.0
312.05688	2.2
313.06979	23.7
314.07285	17.1
315.04895	2.1
323.05396	3.6
323.09085	4.8
324.09555	1.9
325.07126	9.6
325.10349	1.8
326.07217	5.1
327.08536	2.6
328.08701	2.1
329.06512	5.2
331.07993	5.0
337.06989	14.8
339.08627	5.3
340.05347	3.4
343.07977	2.0
351.08368	4.9
352.08792	3.0
353.06363	12.2
354.06812	18.4
355.07977	4.8
368.08572	2.3
379.08035	10.1
380.08484	10.4
381.09647	4.7
397.08975	16.0
398.09381	4.2
399.10614	5.1
414.08871	3.7
415.10138	11.0
432.09811	2.9
433.11240	5.5
475.12308	2.7
505.13248	4.1
515.11884	2.7
516.12128	26.8
517.12982	6.3
534.12708	2.0
542.13525	4.9
543.14661	2.8
560.14594	7.0
561.15918	10.6
578.15399	2.2
579.16406	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
55.01865	7.5
55.05503	16.5
57.03422	7.1
57.07066	3.3
57.38722	1.4
67.05502	28.5
69.03428	9.1
69.07056	14.5
71.04982	3.5
71.08623	1.7
71.35894	3.3
73.02905	7.2
79.05489	43.1
81.03421	16.7
81.07046	39.4
83.04973	5.0
83.08617	7.2
85.02890	9.8
85.06513	2.3
91.05459	47.2
93.07039	55.4
95.04958	8.4
95.08603	28.9
97.02883	5.5
97.06538	3.8
97.10166	3.6
98.98442	2.6
99.04462	5.4
99.08077	4.5
105.07023	48.7
107.04962	3.7
107.08583	34.4
108.56287	1.5
109.02873	16.8
109.06506	4.8
109.10154	13.5
110.03650	4.1
111.04433	7.4
111.08142	1.9
117.06998	16.1
119.08578	43.3
121.06495	2.3
121.10126	27.4
121.20256	1.9
123.08094	3.2
123.11683	2.8
124.56547	1.6
125.09669	2.3
127.03923	8.0
129.07060	11.6
129.84912	1.8
131.08554	21.1
132.99559	2.4
133.10118	38.9
134.10352	1.7
135.08051	3.2
135.11682	22.9
137.09616	3.6
141.06953	1.8
142.07750	3.4
143.08563	9.7
145.06432	1.9
145.10109	18.9
147.08110	2.5
147.11670	33.0
149.09567	6.1
149.13251	13.5
151.03941	2.3
151.11177	3.0
155.01013	3.3
155.08463	2.1
155.62859	1.7
157.10121	7.9
159.11674	18.9
161.13264	24.5
163.11195	5.5
163.14832	4.7
171.11696	13.2
173.13231	11.0
175.11133	3.2
175.14769	12.8
177.12793	2.9
183.11586	3.1
185.13190	8.6
189.12805	2.8
191.00119	4.5
194.64734	1.9
199.14772	6.7
203.14374	2.0
209.01123	2.6
213.16382	3.8
219.17355	1.8
231.21075	6.5
241.19510	28.6
243.21136	2.6
257.19006	2.2
259.20563	75.1
260.20862	1.9
261.22171	2.7
275.19980	1.8
277.21710	4.4
280.99719	2.7
301.21512	2.3
333.24246	5.0
335.26071	2.3
351.25284	100.0
355.07190	2.6
363.25659	2.2
375.24930	2.9
383.03079	2.2
401.03903	3.0
443.04977	2.3
485.21518	2.6
559.25732	5.5
577.29303	5.5
577.51312	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25195	0.9
55.01845	1.6
57.03430	6.4
57.55851	1.0
65.63788	1.0
68.99780	1.4
70.35612	3.2
71.04599	1.8
71.04985	32.7
81.03396	1.3
83.04967	2.2
85.02898	34.7
88.33024	0.9
91.48544	0.9
105.07024	1.1
127.03932	1.0
129.05478	6.9
135.04395	2.5
137.02319	4.2
141.01851	1.2
155.62767	1.2
161.02322	2.8
163.03891	2.0
165.01822	15.1
167.03461	1.5
179.03397	4.0
183.02870	5.7
189.01775	1.5
233.04494	1.4
245.04495	1.4
283.05945	4.1
287.05478	13.2
295.06036	6.3
297.07639	10.4
299.05466	100.0
300.06235	7.0
310.04599	1.6
311.05515	18.6
311.08975	1.9
313.03638	1.2
313.07047	16.2
323.05453	14.7
324.06155	3.1
325.03336	2.3
325.07016	24.5
327.04883	6.0
327.08347	1.8
328.05707	1.5
329.06494	22.9
339.04901	8.0
339.08606	18.7
340.08981	1.2
341.06516	2.9
349.06961	4.6
351.04849	3.3
353.06454	12.7
367.08102	21.1
369.05927	8.0
377.06503	4.4
379.08167	2.0
385.09058	4.3
395.07547	49.0
413.08636	76.1
414.08975	1.6
431.09686	56.7
515.12006	2.7
541.13049	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1546
Annotation	Maysin
Peak:m/z	Relative Intensity
55.01869	1.4
55.05502	1.1
57.03429	9.2
60.90281	0.7
68.99786	0.9
70.06564	0.9
70.41633	0.8
70.41960	3.4
71.04981	44.1
72.08131	1.0
73.02882	1.1
75.04459	1.8
77.29704	0.8
79.05470	1.2
81.03402	1.5
83.04965	1.8
84.04504	1.1
85.02895	48.9
87.04469	1.6
88.83699	0.7
99.42765	0.7
101.51578	0.8
105.06983	1.0
111.04423	1.8
117.80317	0.8
127.03941	1.6
129.05461	9.5
131.75629	0.8
135.04402	2.8
135.10876	0.8
137.02303	4.1
141.01793	2.8
147.06454	0.9
149.02356	1.1
150.58832	0.8
153.01857	1.0
161.02296	1.3
163.03918	3.1
165.01825	11.2
167.03435	0.9
169.01341	0.9
179.03366	3.2
183.02863	8.1
185.52763	0.8
187.03842	0.9
189.01837	1.2
195.02975	1.0
197.00745	0.8
205.05022	0.8
207.02989	0.9
231.50143	0.7
272.13129	0.8
276.65610	0.8
283.05881	6.1
286.04663	1.9
287.05460	12.5
295.06027	4.6
297.07520	8.5
299.05457	100.0
300.06082	6.9
310.04767	1.6
311.05469	18.9
311.08798	1.5
313.03323	3.3
313.06900	17.8
315.05008	2.6
321.07443	2.3
323.05466	13.4
324.06177	3.2
325.03491	1.8
325.06973	20.2
327.04922	7.1
327.08658	2.0
328.05820	1.1
329.06497	29.1
339.04889	7.3
339.08621	23.2
340.48044	0.8
341.06439	3.9
349.06973	4.8
351.04816	3.5
351.08640	1.6
353.06494	12.5
355.08224	0.9
355.38956	1.1
356.15506	0.9
357.06320	1.1
367.08090	19.6
369.06039	9.4
377.06686	4.2
379.07990	5.7
385.09122	2.8
387.06952	1.4
395.07578	53.3
397.09091	1.4
413.08621	87.4
414.09180	1.7
415.09900	1.6
431.09692	54.8
438.44128	0.9
515.12054	4.7
541.13312	1.6
551.02075	0.8
559.14240	1.9
577.15466	1.2
577.29492	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28999	1.4
55.01867	1.9
55.05512	1.5
57.02084	1.1
57.03432	6.5
69.64593	1.8
69.64917	11.3
71.04607	2.1
71.04984	35.1
75.04496	1.8
78.00356	1.3
83.04964	1.5
85.02901	37.1
95.04935	1.4
104.33308	1.5
129.05470	5.8
135.04433	2.0
137.02318	7.0
141.01729	2.0
147.06480	1.2
161.02274	1.7
163.03827	2.5
165.01843	11.0
179.03416	4.4
183.02881	5.9
212.72894	1.3
245.04349	1.4
257.26901	1.4
283.05991	4.0
286.04764	1.8
287.05472	14.9
295.06021	6.1
297.04300	1.8
297.07538	9.4
299.05475	100.0
300.06100	5.5
310.04596	1.6
311.05527	21.1
311.09048	1.3
313.03497	2.7
313.06998	20.0
321.07654	2.4
323.05450	16.2
324.06073	3.3
325.03461	2.1
325.07028	25.5
327.05032	7.2
327.08435	2.2
328.05750	1.7
329.06534	24.3
339.04892	7.8
339.08630	19.3
341.06528	3.8
349.06979	4.3
351.04742	4.2
351.08649	2.2
353.06549	16.6
367.08176	22.7
369.06085	8.0
377.06503	4.1
379.08044	4.0
385.09073	5.1
395.02551	2.8
395.07599	45.6
413.08664	90.1
414.08826	2.4
423.58594	1.5
431.09695	68.5
515.11621	2.9
541.13171	1.7
577.15417	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.0
55.01859	1.8
55.05502	1.2
57.03423	1.5
61.02919	2.1
67.05495	3.4
69.03420	14.2
70.06579	0.9
70.99942	1.7
71.00289	0.7
71.05000	3.5
73.02876	0.9
76.65191	0.7
79.05488	6.1
81.03415	6.8
81.07058	4.3
83.01303	1.3
83.04963	1.7
85.02893	16.4
91.05470	18.6
93.07042	4.2
95.04948	3.2
95.08586	1.9
97.02880	33.0
97.06505	2.5
99.04471	4.9
103.05443	1.8
105.07011	11.0
107.04943	62.7
107.08580	4.9
109.02859	4.5
109.06507	1.3
111.04430	1.0
113.02375	0.9
115.05376	3.7
116.06219	2.2
117.06988	6.7
119.04920	1.0
119.08556	2.4
121.06496	3.2
121.10112	1.8
123.00799	1.4
123.04391	0.8
125.02352	1.3
127.03908	9.8
127.78821	0.7
128.06209	5.8
129.06982	18.3
131.04994	0.8
131.08554	50.2
133.06487	1.7
133.10107	3.3
135.04459	1.4
137.05975	3.5
141.06979	11.2
142.07787	8.8
143.08554	17.0
145.04935	16.8
145.06476	1.9
145.10121	11.7
149.05940	1.1
149.09598	6.7
151.03868	1.6
152.06178	1.2
153.05455	4.0
153.06955	12.3
154.07745	2.7
155.08533	18.7
156.09302	5.9
157.06450	4.5
157.10092	6.4
158.07272	0.9
159.08093	0.8
161.06023	0.8
165.05505	2.6
165.06973	26.1
166.07771	41.8
167.08568	4.4
168.09276	6.3
169.06447	1.5
169.10103	3.4
171.06746	0.7
171.07953	4.0
171.11668	21.9
173.09549	2.3
173.13266	1.2
175.07495	3.9
178.07751	0.9
179.08560	2.8
181.10100	100.0
182.10649	2.1
183.08070	2.1
183.11685	5.8
184.08833	1.7
185.06029	1.7
185.09557	2.1
189.09102	1.8
194.07332	0.8
197.09554	1.5
199.07527	2.9
199.11165	24.7
201.09082	5.1
201.12640	3.8
203.06990	1.0
209.07808	1.3
209.09610	9.6
217.12212	18.7
227.10645	60.4
228.11023	0.9
233.08008	0.8
241.12195	1.8
245.11716	44.5
253.08568	1.1
261.12741	1.4
263.12747	16.6
272.12119	1.0
279.08633	1.7
283.13385	1.0
287.14185	2.2
297.09540	3.6
299.05582	1.2
311.12817	2.0
315.13794	1.7
329.13788	0.9
333.14926	3.0
351.15872	16.4
355.15329	3.6
412.07507	0.9
505.18787	0.9
544.22705	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	29.8
57.07071	73.5
62.16593	1.3
65.03928	2.1
65.47279	1.4
67.05504	37.2
69.07064	73.8
69.99319	7.3
71.08629	58.5
73.63584	1.3
74.44853	1.4
79.05479	5.7
81.07051	80.3
83.08615	63.6
85.06528	2.0
85.10175	40.4
87.04440	1.6
91.05457	2.7
93.07027	5.4
95.08603	100.0
97.10163	61.2
98.52760	1.5
99.11715	6.1
109.09401	3.6
109.10151	67.8
111.11711	42.4
112.24290	1.2
113.13268	2.2
121.10168	2.3
123.11710	31.2
125.13258	22.4
127.14828	2.5
135.11716	1.7
137.13245	11.7
139.14810	7.3
151.14818	11.6
153.16396	2.4
155.17909	2.3
165.16420	10.6
167.18056	1.8
179.17941	3.9
185.26645	1.9
193.19502	2.7
201.56161	1.4
207.21066	1.6
221.22653	1.8
222.65445	1.4
223.24278	1.8
263.27423	1.7
291.30505	2.9
322.15741	1.5
333.35141	2.2
361.38361	2.8
445.47427	1.6
453.14548	1.4
540.44263	1.5
557.60309	18.3
575.41949	2.5
575.50079	14.0
575.61041	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	11.8
55.01860	19.4
55.05509	22.4
56.96556	2.8
57.03431	15.1
58.12554	2.1
65.03941	5.1
67.05138	3.7
67.05498	54.7
69.03425	13.5
69.07064	28.2
70.06549	2.6
70.92179	3.3
70.92519	5.8
71.04984	8.8
77.50230	2.1
79.05488	50.4
81.03409	97.4
81.07046	38.9
83.04967	14.9
83.08621	14.3
84.08165	2.6
85.02901	34.6
91.05470	100.0
93.07037	47.9
95.01300	4.7
95.04958	61.6
95.08607	27.2
95.51823	2.2
97.02886	9.1
97.06514	25.2
97.10164	12.4
99.04430	5.4
103.05489	9.2
105.07026	40.9
107.04957	20.3
107.08595	21.0
109.02876	22.0
109.06519	10.0
109.10157	17.7
111.04404	12.5
111.08080	8.7
115.05467	12.5
116.06245	3.4
117.07014	21.0
119.04945	11.0
119.08572	62.1
121.02874	11.0
121.06493	17.6
121.10163	12.3
123.04444	5.1
125.02357	4.8
125.09602	13.9
127.03915	6.0
128.06212	9.4
129.06998	23.9
131.04921	16.6
131.08569	19.8
133.06450	17.2
133.10143	9.1
135.04387	3.1
135.08052	12.8
135.11635	2.8
137.02364	12.9
137.05997	6.2
137.09605	23.8
141.06984	10.4
142.07799	3.8
143.07056	7.0
143.08566	9.5
145.06483	20.0
145.10132	9.6
147.04407	19.0
147.07997	14.9
147.11723	7.0
149.06010	9.6
149.09615	10.2
153.07014	3.9
153.09053	13.2
155.08545	8.9
157.06523	8.7
157.10135	10.8
158.07274	2.5
159.04405	4.9
159.08066	10.3
159.11725	4.5
160.05217	8.0
161.05965	24.6
161.09698	6.0
163.03944	7.4
163.07545	3.4
163.11217	8.1
163.67825	2.7
165.07001	6.0
165.09105	18.0
166.96953	2.6
167.08601	6.6
169.01312	2.4
169.06544	5.1
169.10129	4.3
171.04427	4.7
171.08049	10.7
171.11757	5.7
173.05927	27.5
173.09576	6.8
174.06764	5.1
175.03964	4.5
175.07587	9.8
175.11246	9.4
177.05487	4.4
177.09076	4.6
181.06383	3.0
181.08699	3.2
183.08005	5.8
183.10193	8.4
185.05994	4.7
185.09589	8.7
186.06763	6.8
187.07507	12.3
187.11192	4.0
189.05460	37.0
189.09087	3.1
191.10666	6.3
193.12238	19.5
195.08138	5.5
197.09592	3.2
199.07532	10.3
199.09535	3.9
199.11287	5.3
201.05498	2.4
201.09071	5.4
201.12741	2.6
203.10651	3.7
205.10210	3.1
209.09647	5.5
211.07611	4.6
211.11357	5.7
211.13327	18.5
213.09148	12.8
215.10690	5.2
219.10103	3.0
225.09021	2.9
227.10667	16.6
227.12608	4.2
229.12268	5.0
237.12796	4.9
239.10641	2.8
239.12805	5.8
241.12076	4.0
243.10124	3.7
245.11713	14.8
255.10008	13.0
255.13910	2.9
257.07034	5.5
257.11710	10.4
257.13940	7.9
259.09525	6.2
261.11215	7.0
265.12320	4.4
267.15933	4.9
273.11261	37.9
273.14819	12.3
275.12814	4.7
283.06235	3.2
283.13315	10.1
285.10211	3.0
285.14621	6.4
285.17133	9.3
291.12320	9.0
301.14270	52.2
301.17395	4.0
302.14999	4.0
313.07043	3.6
319.15454	7.2
329.13928	4.1
347.14755	13.6
355.15475	4.1
365.15900	4.9
375.18259	8.2
376.95966	2.5
393.18909	5.4
395.07187	4.3
413.12122	3.3
431.24136	2.8
448.49847	2.5
483.23672	6.0
529.27911	4.0
539.26251	13.1
545.27380	22.6
557.27295	82.7
575.28491	81.0
576.28998	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2844
Annotation	Asclepin
Peak:m/z	Relative Intensity
53.03937	9.0
55.01851	18.4
55.05503	28.0
57.03424	14.9
58.98817	2.8
65.01412	3.1
65.03922	5.0
67.05497	45.8
69.03414	12.1
69.07065	27.1
71.01321	3.3
71.04979	8.7
71.74548	3.7
71.74982	4.3
77.24911	3.2
79.05484	53.7
81.03407	69.4
81.07053	37.9
83.04954	15.8
83.08607	13.1
83.61902	3.0
85.02882	28.6
91.05470	87.1
93.07031	32.5
95.01321	5.8
95.04958	56.9
95.08590	32.7
97.02879	7.7
97.06512	35.1
97.10157	11.9
103.05461	8.5
105.03407	5.9
105.07028	41.9
107.04947	24.7
107.08591	17.6
109.02876	18.0
109.06498	7.0
109.10136	12.0
111.04424	11.7
111.08060	8.4
113.05959	3.7
115.05434	11.5
117.06996	20.1
119.04941	8.6
119.08574	44.5
121.02835	11.4
121.06495	13.0
121.10116	7.3
123.00780	6.9
123.04425	7.9
123.08086	5.9
123.11728	3.5
125.02364	4.5
125.06014	5.0
125.09602	13.2
127.03907	5.1
128.06190	5.5
129.06963	19.0
131.04916	17.9
131.08531	15.3
132.05704	4.3
133.06467	17.7
133.10136	6.3
135.04422	6.0
135.08057	16.3
135.11684	5.6
137.02284	8.6
137.05960	5.7
137.09589	26.6
141.06999	7.7
143.06996	6.5
143.08604	6.2
144.05750	4.3
145.06470	21.6
145.10106	11.3
147.04393	13.7
147.08034	11.1
147.11691	7.2
149.05945	6.6
149.09607	6.8
153.07028	6.0
153.09113	6.9
153.12587	3.5
155.08588	5.0
157.06508	12.9
157.10106	8.8
159.08098	12.5
160.05222	7.5
161.05940	23.9
161.09619	6.7
163.03899	4.9
163.07571	6.1
163.11162	8.9
165.05507	4.0
165.06914	6.1
165.09114	13.6
167.08540	7.1
167.93451	3.7
169.01315	3.3
169.06419	6.1
169.10117	4.2
171.08063	12.7
171.11757	3.9
173.05965	36.7
173.09584	6.7
174.06737	5.3
175.03952	3.6
175.07596	7.5
175.11172	7.5
177.09062	7.8
181.10014	5.0
183.08110	5.2
183.10182	5.0
185.05882	5.1
185.09596	7.1
186.06706	6.2
187.07539	12.5
189.05446	30.3
189.09154	5.1
189.11194	4.0
193.12238	9.0
195.08073	8.3
199.07564	11.3
199.09532	7.1
199.11229	5.3
201.05408	4.8
201.08998	8.1
203.10657	8.0
211.13251	12.8
213.09096	13.0
213.12708	3.4
215.07094	5.4
215.10678	4.5
219.10049	3.7
221.11752	4.1
227.10628	15.4
235.11079	3.9
241.12267	5.0
243.10016	5.3
245.11703	14.0
245.15590	4.4
255.10117	12.4
255.13844	5.4
257.11517	8.3
257.13806	8.8
259.09647	11.3
269.12027	3.8
271.13400	4.1
273.11221	32.0
273.14807	13.7
275.12982	5.1
283.13190	10.8
285.10001	5.8
285.14551	4.9
285.17218	6.1
291.12271	10.3
301.14301	48.1
303.15967	5.2
311.12772	6.0
313.14349	4.7
315.12289	4.5
315.15845	6.1
319.15659	7.3
325.14172	3.6
341.17499	4.6
343.15454	9.2
347.15002	6.8
355.08127	4.8
355.15399	9.6
375.18021	8.8
393.19284	4.2
413.12344	4.8
429.20599	3.9
447.21588	7.1
483.23752	16.5
497.24457	4.5
511.27164	5.0
515.26184	10.1
521.25079	5.4
527.26569	5.6
539.26184	21.2
545.27411	23.3
557.27399	100.0
575.28510	89.8
592.64789	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.7
56.05022	2.0
69.03431	0.7
69.07070	0.8
70.06581	2.4
71.17664	0.9
71.17993	0.8
72.08141	27.2
74.06063	2.7
79.05470	0.7
81.03394	0.8
81.07086	0.6
82.66653	0.5
83.06089	5.7
84.04488	14.7
84.08110	0.8
86.09692	100.0
87.10048	0.7
97.02872	0.6
97.06528	1.4
101.07130	8.0
102.05530	2.4
120.06564	6.6
129.06584	1.1
130.05003	2.4
131.11777	8.8
136.07581	0.6
137.05928	1.0
140.07059	1.5
147.07674	0.9
152.10695	0.6
153.71875	0.6
167.08218	0.9
177.05482	0.7
185.09254	0.9
185.16478	23.2
208.09677	2.6
212.10194	2.7
213.08702	6.0
213.15952	21.3
214.15489	0.9
223.14450	0.6
225.12341	2.1
230.11327	16.4
231.09737	8.5
231.11765	0.8
242.14949	22.9
248.12399	10.8
254.37737	0.6
281.22287	0.9
308.23633	0.6
326.17142	1.8
326.24277	5.5
341.21881	1.8
343.19727	7.6
343.26703	3.1
344.18240	2.3
353.42291	0.5
355.23300	0.9
361.20776	10.1
369.21259	1.2
389.04135	0.6
454.30164	3.5
513.21600	0.6
555.35382	2.6
573.27008	0.9
573.35913	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.8
55.01857	7.3
55.05487	17.3
57.03433	5.4
57.07061	5.9
57.57978	3.9
67.05497	46.2
69.03422	4.9
69.07072	25.6
71.04980	5.8
78.88494	5.1
79.05486	44.1
81.03402	14.0
81.07050	78.5
83.04948	13.5
83.08595	8.9
91.05471	49.4
93.07037	61.0
95.04935	16.4
95.08598	51.0
97.06526	9.4
97.10145	5.4
103.05492	5.9
105.07022	84.0
107.04913	6.5
107.08570	47.2
109.06496	7.7
109.10156	39.2
114.12460	4.1
115.05439	5.9
117.06999	35.2
119.08572	68.1
120.09314	8.1
121.10134	36.4
123.11694	14.7
129.06979	12.8
130.07780	10.5
131.08572	45.4
133.10130	46.5
134.10909	8.1
135.04378	7.4
135.11682	19.5
141.06961	10.9
143.08569	12.3
143.21660	4.3
144.09297	10.0
145.06471	6.5
145.10109	79.2
146.10876	9.5
146.64111	4.4
147.08075	5.8
147.11644	18.3
149.09723	7.4
149.13179	5.6
157.10098	13.7
159.11676	100.0
161.02335	4.9
161.13274	10.3
163.03876	44.7
163.11168	12.5
171.11636	7.3
173.05940	4.6
173.13219	16.5
181.12125	6.1
187.03885	44.8
187.14777	18.8
189.05412	10.1
201.05373	8.5
201.16368	82.7
202.17116	33.0
213.05444	54.6
215.07063	12.8
227.12729	17.4
239.07033	9.4
239.10582	6.4
273.18384	9.4
275.20206	5.1
281.11731	7.6
281.17224	4.9
291.19492	18.6
295.13016	6.9
307.13116	21.2
321.14893	5.0
349.23535	6.4
363.19461	36.4
381.20569	6.3
475.37393	6.3
573.34082	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.8
55.01856	5.4
55.05491	19.4
57.03437	6.6
57.07056	9.6
65.28136	4.1
67.05502	52.9
69.07059	27.6
71.74831	5.0
74.89833	4.6
79.05482	40.2
81.03410	13.0
81.07050	78.9
82.12948	4.5
83.04958	9.8
83.08591	14.2
89.03878	7.6
91.05463	57.3
93.07024	63.0
95.04947	13.0
95.08591	43.9
97.06509	12.2
97.10194	7.4
105.07029	89.8
107.04965	9.4
107.08569	47.1
109.06484	12.1
109.10136	38.6
115.05453	6.0
117.06991	31.6
119.08567	78.9
121.10133	35.5
123.08077	6.9
123.11671	15.7
127.85928	4.4
129.06993	12.2
130.07774	7.5
131.08556	55.8
132.09198	5.4
133.06419	6.6
133.10114	57.5
134.10844	5.2
135.04404	10.8
135.11670	7.1
137.05952	9.0
142.07759	6.8
143.04915	4.7
143.08557	12.0
144.09325	12.8
145.10103	96.1
146.10825	6.4
147.11650	24.2
149.09583	9.9
157.10150	12.0
158.10867	4.8
159.11662	100.0
160.12538	6.6
161.13217	16.2
163.03880	45.2
163.14812	8.4
171.07944	5.1
172.12482	6.0
173.13208	21.5
187.03888	40.7
187.07436	5.6
187.14832	25.1
189.05479	16.3
190.47513	4.7
201.05479	11.4
201.16370	87.7
202.17130	53.0
205.04901	8.7
213.05417	51.7
215.07028	10.3
219.17450	5.5
229.08533	8.0
239.07106	5.8
239.10844	4.7
267.10181	6.4
281.11578	12.1
291.19547	10.9
307.13306	11.1
313.14249	4.6
321.14746	11.2
347.22229	4.3
363.19583	32.6
386.77963	4.9
513.19702	4.6
573.34204	7.3
573.48596	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.8
57.07070	22.6
59.04994	1.1
67.05484	2.1
69.07063	2.7
71.08621	25.7
71.75044	1.5
71.75715	1.0
73.06546	7.7
79.05491	2.1
81.07034	1.8
83.08614	3.7
85.09665	1.6
85.10172	26.9
87.04469	6.0
89.06020	100.0
91.05482	1.2
93.07059	1.1
95.08617	1.3
97.10170	1.6
99.11737	3.1
105.07038	1.0
107.07063	4.4
107.08659	1.3
109.10105	0.9
113.47421	0.9
117.09116	7.6
119.08605	1.4
130.08635	3.5
131.07037	1.7
133.08586	49.6
141.16383	5.0
141.94139	0.9
175.09714	1.3
177.11195	20.0
177.12769	1.2
185.19006	5.3
213.86290	0.8
221.13795	2.2
229.21590	11.2
239.14963	1.5
248.36969	0.9
273.21747	1.2
273.24069	6.3
283.17502	1.9
327.19998	1.1
371.22617	1.2
415.25354	4.0
514.32379	0.9
555.40887	7.2
578.85950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.9
54.32900	3.3
55.01840	3.7
55.05501	16.3
57.07071	6.7
57.93732	2.8
59.06123	15.3
61.02913	2.9
65.89889	3.1
67.05488	9.0
69.03412	18.0
69.07052	9.4
69.69675	18.3
70.02911	3.1
70.06565	14.5
71.04986	3.1
72.08131	4.1
79.05480	28.7
81.03399	15.1
81.07040	54.6
83.04956	18.7
83.08600	10.4
84.04472	6.1
84.08115	4.1
85.02895	21.1
85.06541	4.9
85.07644	6.0
86.09683	15.5
87.00818	5.6
87.04440	3.4
87.05570	8.3
91.05445	14.7
93.07022	13.3
95.04952	39.4
95.08585	14.3
97.02871	40.6
97.06511	12.3
98.20733	6.5
99.04404	6.9
100.11202	6.6
105.01855	11.6
105.07017	21.1
107.08568	23.1
107.26576	3.4
109.02858	18.1
109.06499	100.0
109.10123	16.6
111.08031	4.6
115.05426	3.5
117.07052	3.5
119.08067	22.3
120.08025	3.3
121.06579	3.0
121.10143	24.1
123.08028	13.8
123.11686	7.4
125.02329	6.3
125.09625	4.7
127.03877	35.2
129.07004	3.5
129.10205	3.6
131.08527	7.4
133.10120	44.9
135.08028	14.5
135.11673	4.8
138.09132	5.2
138.25243	3.1
139.11159	23.6
145.04977	5.6
145.06071	14.0
145.10130	6.8
147.11667	15.4
149.13245	13.4
151.11133	6.8
153.09088	16.8
158.10930	4.8
163.03905	7.0
163.14760	7.3
165.12759	14.6
167.14255	4.4
173.13231	29.1
177.71605	3.0
182.15401	5.6
191.14290	58.2
209.15291	76.3
213.03888	3.4
227.16470	25.5
231.05043	4.1
259.09698	4.5
264.35074	3.4
266.08661	6.4
362.50592	3.5
381.18323	4.3
453.34222	13.6
454.34528	8.8
457.20715	8.9
573.16016	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	1.1
69.59307	1.4
69.72516	1.0
70.06589	1.2
71.73788	2.3
82.99861	1.4
94.67319	1.0
97.02852	1.9
101.00850	5.5
102.07392	0.9
109.02888	1.3
113.00833	1.9
115.02418	2.1
119.01910	25.9
127.02382	1.9
131.01888	10.0
133.03442	3.8
137.02895	5.2
142.03485	1.5
143.01863	18.7
145.03441	14.4
146.03473	1.1
147.01414	2.1
149.02943	3.2
155.01886	16.4
157.03427	6.6
161.02934	29.6
162.03163	1.0
162.80719	1.0
163.04535	2.6
167.01854	5.7
168.99821	2.3
169.03439	4.4
171.01317	1.4
171.04970	2.4
173.02945	30.0
175.04520	2.9
179.01830	3.1
181.01613	1.2
184.04556	2.4
185.02937	43.3
187.00880	3.4
187.04472	6.1
189.02426	2.6
191.03990	4.0
196.04491	1.9
197.02922	17.6
199.00873	3.6
201.02441	2.8
203.03967	15.2
209.02910	2.6
215.00333	4.5
215.02158	1.9
215.03966	10.6
217.01884	4.1
219.03458	2.9
221.05020	4.0
227.04028	10.6
229.01874	3.1
231.03514	4.0
237.02602	1.1
243.03450	1.3
245.05054	100.0
246.05116	2.1
247.02792	2.8
247.05048	1.8
257.05060	4.8
259.02832	2.4
261.04541	1.7
263.06226	9.4
271.03143	2.6
275.02466	3.0
275.06064	11.1
289.04065	12.1
293.07184	3.1
300.77405	1.1
301.04050	3.4
305.07092	8.4
307.05115	9.5
319.05014	5.1
330.06827	1.9
331.05179	3.6
335.08151	4.6
349.06097	8.3
359.04596	2.8
361.06320	1.7
365.09311	12.3
377.05487	2.6
391.07242	6.4
409.08200	2.3
422.61313	1.6
469.10159	2.2
511.11081	3.4
539.10779	3.8
571.13306	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50185	0.5
53.03939	1.3
55.01876	0.6
55.05513	9.8
56.05032	5.8
57.03436	1.2
57.07074	5.3
58.06601	0.9
59.28128	0.5
60.04522	84.4
65.03938	1.0
67.05502	14.1
68.05038	1.3
69.07065	11.7
69.07417	0.8
70.06590	2.2
71.08623	4.6
71.38428	1.3
72.04522	4.6
74.06081	2.8
75.81631	0.5
79.05493	10.5
80.05024	1.6
81.03426	2.6
81.07051	16.7
82.06582	3.1
83.04993	1.2
83.08620	8.7
84.04514	1.0
84.08167	0.7
85.10178	1.8
86.06071	3.3
89.06044	1.9
90.05538	3.8
91.05481	9.6
93.07040	9.6
93.07590	0.9
94.06572	4.9
95.04959	2.4
95.07359	1.3
95.08598	16.1
96.08121	3.1
97.06538	1.8
97.10170	6.1
98.06062	2.1
99.06860	0.8
100.07626	0.9
102.25726	0.5
105.07021	6.3
107.08582	5.8
108.08134	2.0
108.08846	0.6
109.06507	1.1
109.10149	6.3
110.09684	1.3
110.35312	0.5
111.08110	1.4
111.11726	1.5
112.07600	1.0
114.09178	0.7
116.07096	0.6
119.08585	7.6
119.09400	0.6
121.08847	0.5
121.10134	5.3
122.09677	1.4
123.08070	1.3
123.11742	1.8
125.09607	0.5
133.08617	1.0
133.10117	5.5
135.10799	0.8
135.11673	3.5
136.11221	0.9
137.09633	1.1
137.13246	1.1
140.10725	0.6
147.11617	2.3
149.13229	1.2
154.66988	0.5
161.13280	1.7
163.14836	1.1
170.18988	0.6
175.14757	0.6
213.95294	0.5
219.21068	1.0
233.22665	1.5
234.22104	1.1
238.25053	0.6
245.22652	7.0
250.25252	3.7
251.23724	0.6
252.26942	1.1
254.24846	1.3
262.25299	41.7
263.23608	9.2
266.24768	0.8
268.26407	2.0
272.25830	10.0
280.26346	39.4
281.24600	0.6
292.26324	0.5
296.25693	0.6
298.27402	15.6
314.26849	3.5
316.28525	3.6
326.27243	0.6
344.27982	1.9
356.28201	0.6
478.97855	0.6
504.47665	1.0
516.47736	4.4
534.48828	19.7
535.48737	0.8
552.49866	100.0
553.50500	2.9
570.51025	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
53.67416	0.8
55.01860	1.8
55.05508	12.9
56.05024	5.1
57.03408	1.9
57.07070	6.7
58.06597	1.6
60.04516	100.0
61.56900	1.0
65.03934	1.5
67.05497	20.9
69.07059	19.2
70.06579	3.3
70.93698	2.4
71.08626	4.6
72.04495	4.7
74.06060	3.5
79.05483	13.9
80.05013	1.7
81.03395	5.0
81.06592	1.9
81.07040	21.9
82.06562	3.9
83.04984	1.5
83.08602	13.5
84.08148	1.7
85.10162	1.4
86.06064	3.7
89.05991	2.8
90.05535	4.2
90.13094	0.9
91.05460	13.2
93.07029	16.0
93.07572	1.5
94.06563	7.8
95.04951	3.4
95.07316	2.0
95.08598	21.4
96.08123	2.9
97.06512	1.7
97.10159	7.2
98.06033	2.2
105.07006	8.4
107.08563	5.0
108.08138	1.4
109.10127	8.6
111.08062	1.1
111.11691	2.2
112.07603	1.6
119.08564	8.3
121.10115	5.5
122.09642	1.4
123.08084	1.6
123.11667	3.1
124.77122	1.2
133.08597	1.8
133.10071	6.5
135.11674	4.5
137.09679	1.6
147.11693	3.6
149.13226	2.4
164.09535	1.0
179.17018	1.2
179.71867	1.0
186.18675	0.9
219.21014	1.0
220.95378	0.9
233.22684	1.4
233.74164	1.1
234.22141	1.8
245.22585	6.5
247.30656	1.1
250.25317	3.2
260.23788	1.5
262.25250	42.8
263.23563	9.0
266.24683	1.2
272.25858	8.3
280.26324	38.4
298.27380	15.0
314.26917	3.0
316.28308	3.0
344.27979	1.6
371.22586	1.3
460.33615	1.0
516.47748	4.4
534.48657	19.6
552.49799	91.3
553.50275	3.1
570.51050	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
55.05503	15.7
56.05014	8.1
57.07061	7.0
58.85434	2.1
60.04517	84.8
67.05495	21.0
69.07064	16.8
71.08620	2.3
71.74705	2.6
72.04497	6.3
74.06042	3.1
79.05482	18.4
81.03407	3.9
81.07051	21.2
83.08595	9.7
85.10184	3.2
86.06060	3.5
89.06025	9.8
90.05540	3.9
91.04980	1.9
91.05463	12.3
93.07018	11.1
94.06543	4.2
95.04971	5.3
95.07381	2.2
95.08592	16.2
96.08122	3.4
97.10170	6.1
105.07029	8.3
107.08586	7.1
109.07689	2.1
109.10113	5.4
119.08566	10.3
121.10139	7.2
122.09673	3.6
123.11679	3.9
133.08559	6.0
133.10109	5.4
135.11719	2.4
138.92810	2.3
144.14079	3.0
177.11229	2.9
245.22629	7.2
250.25311	3.9
262.25299	37.9
263.23712	9.9
272.25815	11.6
280.26321	37.2
298.27313	16.1
314.26932	3.5
316.28391	2.3
337.80371	2.5
344.27768	2.2
399.23306	2.1
516.47852	4.0
534.48651	18.9
552.49786	100.0
553.50366	2.4
570.50769	6.8
571.46710	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00270	0.7
53.03926	1.8
53.27563	0.7
55.01858	1.5
55.05505	13.1
56.05031	5.2
57.03432	0.7
57.07064	6.9
58.06584	0.6
60.04516	84.2
65.03923	1.2
67.05495	18.4
69.07058	15.4
70.06575	3.3
71.08622	3.9
71.62751	0.6
71.74466	1.1
72.04504	4.7
74.06068	3.4
79.05483	13.0
80.05000	1.4
81.03394	3.7
81.07046	19.5
82.06554	3.8
83.04983	1.5
83.08611	9.3
84.08119	1.3
85.02890	0.7
85.10152	1.8
86.06060	3.3
89.06010	1.0
89.23366	0.6
90.05536	4.1
91.05470	11.5
93.07035	11.4
94.06555	6.9
95.04976	3.7
95.07333	2.1
95.08598	15.0
96.08115	3.0
97.06526	1.8
97.10136	5.4
98.06045	1.9
100.07628	0.8
105.07021	8.1
107.08585	5.2
108.08096	2.2
109.06509	0.8
109.10149	6.7
110.09657	1.0
111.08040	0.9
111.11674	1.4
117.07021	1.0
119.08563	7.5
121.10116	4.5
122.09637	1.7
123.08042	1.1
123.11702	2.0
125.08331	0.6
133.08572	1.2
133.10118	4.8
135.10669	0.7
135.11676	3.6
136.11206	0.9
137.09564	1.7
137.13287	0.9
147.11673	2.2
149.13216	1.0
151.11064	0.6
161.13263	0.8
219.21046	1.1
233.22758	0.9
238.25546	0.9
245.22639	6.1
250.25299	3.4
252.26904	0.7
254.24673	1.0
262.25278	38.2
263.23578	8.1
268.26270	1.1
272.25781	9.4
280.26312	38.8
282.67960	0.9
291.47250	0.7
298.27365	17.1
298.30536	1.3
314.26819	3.7
316.28476	5.1
342.29724	0.8
344.28088	1.8
504.47739	0.8
516.47589	3.5
534.48724	22.1
552.49811	100.0
553.50085	3.8
570.50793	6.2
571.46936	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.7
57.07070	62.4
59.57471	1.4
67.05499	2.0
67.36948	1.4
69.07072	9.5
71.08624	58.0
73.06548	7.1
74.37315	1.5
79.05500	2.4
81.07034	3.6
83.08622	4.6
83.90992	1.3
85.10172	34.0
87.04452	4.9
89.06020	100.0
91.05450	2.6
93.07053	2.2
97.10133	3.8
97.77215	1.4
99.11703	7.8
107.07046	3.6
111.11703	5.2
113.13276	5.8
117.09135	5.1
125.13268	3.5
127.14802	4.2
130.08659	4.3
131.07050	3.0
133.08586	71.2
135.10164	1.6
158.10500	1.4
160.11212	5.7
177.11205	30.8
178.12289	5.5
221.13768	5.0
229.86299	1.7
239.14755	3.3
258.08994	4.2
271.26337	3.7
283.17557	4.9
315.28937	4.5
318.13232	1.8
327.20206	5.2
338.53427	1.5
371.22806	13.0
412.42856	1.8
469.70490	1.8
509.40817	1.9
553.42798	13.6
570.44379	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97785	0.8
53.54448	0.8
57.07068	6.4
58.06583	1.6
69.55628	4.6
69.56059	3.7
70.06582	18.5
71.08625	1.9
76.81187	0.8
80.19007	0.9
81.07048	1.7
85.62497	0.9
88.07616	22.0
89.70956	0.8
91.05496	1.3
93.07028	1.1
102.09172	16.1
105.03380	17.4
120.37290	0.9
149.02327	12.9
149.05960	71.9
160.93285	1.0
181.06509	1.5
193.04967	10.7
212.23555	1.1
243.99611	0.9
256.26343	57.3
297.07568	14.7
341.10175	61.2
342.10416	1.2
387.48801	0.9
570.34198	100.0
571.34497	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.7
57.07072	6.9
67.05505	3.1
69.07047	2.2
69.67643	3.2
69.68052	1.0
71.08633	5.1
79.05471	1.7
80.05827	0.8
81.07056	2.2
85.10184	3.0
87.57778	0.5
89.05505	0.7
89.06023	9.2
91.05472	1.8
93.07053	1.7
95.08570	2.5
97.10188	0.5
98.98444	2.7
105.06998	1.7
107.07053	0.8
107.08578	1.7
109.06462	0.6
109.10102	0.7
117.06959	1.4
117.09084	0.8
118.06519	3.5
119.07302	3.1
119.08583	0.6
120.08859	0.6
121.10078	0.9
124.99992	11.5
130.06480	0.9
132.08070	0.7
133.08594	5.8
133.10100	0.9
134.09636	32.0
144.08061	9.9
145.08865	4.9
157.47174	0.5
160.11201	100.0
161.11520	1.2
177.11212	1.7
178.12254	90.1
179.12611	0.6
184.03259	0.6
240.00655	0.6
258.08884	67.4
259.09174	0.6
260.31036	0.6
262.60739	0.7
271.26160	0.7
299.38358	0.6
313.27512	0.7
332.12387	0.7
371.22610	1.2
432.72345	0.7
455.62302	0.7
552.34357	7.4
553.42841	1.1
570.35370	22.1
570.42365	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02972	2.8
55.05500	13.1
56.98802	3.4
57.07073	6.6
67.05502	13.6
69.07051	13.4
69.48816	2.8
70.96548	5.8
79.05494	24.7
80.06253	4.0
81.07047	41.3
83.04969	5.3
83.08619	6.8
85.06538	3.6
88.43617	3.2
91.05464	41.5
92.06264	4.0
93.07030	60.5
94.07823	3.7
95.04958	38.1
95.08577	27.9
97.16196	3.0
98.21151	5.2
102.09159	3.4
103.05487	3.2
105.07013	76.2
105.46662	2.9
106.07808	5.7
107.08582	43.6
109.06509	5.0
109.10158	24.4
111.08105	3.7
115.05453	4.7
117.07000	19.9
119.08573	100.0
120.09347	6.7
121.06600	3.1
121.10121	35.8
122.07214	3.6
123.08073	15.2
123.11691	6.5
128.06201	10.3
129.06972	18.6
130.07774	6.2
131.08560	39.8
132.09320	10.7
133.10117	60.2
134.10878	5.8
135.08067	7.2
135.11664	22.2
137.09579	6.7
138.10370	5.6
141.07010	4.4
142.07721	19.2
143.08559	45.4
144.09334	13.1
145.10117	92.7
146.10872	7.7
147.11661	31.1
149.09572	7.0
149.13292	3.6
151.11156	4.9
154.07784	3.7
155.08540	17.1
156.09341	21.3
157.10117	50.7
158.10898	9.4
159.11699	49.9
160.12408	3.2
161.09586	4.3
161.13261	7.4
163.11160	5.9
163.14799	3.2
165.06883	3.7
167.08614	8.4
168.09322	5.0
169.10127	33.9
170.10947	6.5
171.11656	36.2
172.12378	4.8
173.13188	30.5
175.14787	24.9
177.12782	5.8
179.08540	7.8
180.09314	4.9
181.10143	15.0
182.10896	8.5
183.11682	25.7
185.13242	30.7
186.13982	9.5
187.14746	15.7
189.12672	3.7
191.14305	9.7
192.14995	4.3
193.10086	9.7
193.15894	3.4
194.10901	5.1
195.11734	16.9
196.12521	8.6
197.13232	28.2
198.13976	6.8
199.14873	14.9
201.12839	4.7
201.16412	10.7
203.14253	4.7
206.10893	3.6
207.11678	9.3
208.12509	5.7
209.13226	29.7
210.14037	3.3
211.14825	21.5
212.15462	4.7
213.16331	7.3
217.15892	5.2
219.17558	4.2
221.13272	9.6
223.14740	17.7
224.15472	5.6
225.16379	11.1
225.23863	2.8
226.17024	4.5
227.18112	5.0
235.14838	6.9
237.16382	7.3
239.18025	7.2
243.17398	3.5
249.16368	4.5
255.17459	5.5
259.20416	3.8
263.17883	4.6
265.19476	6.1
267.20929	3.4
275.17978	3.8
277.19400	3.4
283.20535	4.7
297.22058	4.4
323.23630	9.4
338.26007	55.9
430.32211	17.2
476.36737	17.9
533.02704	3.4
568.42719	36.8
568.56110	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84182	4.0
55.05499	13.6
57.07074	6.7
63.62872	3.7
66.93731	3.6
67.05507	28.0
69.07056	19.8
70.17302	19.1
71.04982	4.2
76.78699	4.0
79.05467	20.6
79.55560	3.5
81.07047	48.5
83.05000	3.7
83.08629	5.5
85.06542	6.6
91.05475	45.0
93.07029	48.9
95.04948	10.7
95.08599	51.0
103.05422	3.8
105.07018	88.9
107.08576	59.9
107.61467	3.5
109.06531	15.3
109.10148	44.2
117.07008	23.7
119.08569	100.0
121.10125	55.0
123.08062	12.2
123.11699	19.3
128.06174	7.5
129.06995	16.2
130.07785	10.2
131.08553	46.7
133.10123	65.1
133.38057	4.4
135.08090	9.8
135.11674	39.7
137.09575	8.5
141.06941	8.2
142.07764	19.1
143.08549	39.0
144.09358	14.5
145.10129	75.3
147.08011	7.3
147.11655	19.1
153.07062	5.9
155.08530	12.1
156.09326	7.3
157.10132	51.0
158.10907	8.0
159.11665	48.9
161.13223	28.4
165.07048	5.9
165.09116	4.6
167.08586	9.9
167.10664	7.7
168.09398	4.3
169.10094	28.4
170.10889	12.8
171.11697	29.5
172.12492	4.0
173.09615	4.0
173.13249	26.3
175.11186	7.6
175.14813	27.7
179.08554	10.9
180.09319	3.8
181.10110	16.5
182.10951	13.0
183.11658	24.7
185.13269	29.6
187.14845	17.4
191.14450	4.2
193.10112	10.9
195.11678	21.4
196.12486	3.9
197.13196	24.7
199.14839	15.2
201.16370	6.2
203.14348	18.5
205.10185	6.1
207.11682	11.5
208.12502	6.7
209.13222	27.2
210.13995	4.3
211.14764	22.9
213.16359	12.5
221.13234	17.0
221.15341	9.1
222.14035	4.2
223.14781	26.2
225.16373	11.8
233.13234	6.3
235.14832	8.1
237.16475	3.9
239.17998	8.3
241.19453	5.5
249.16347	8.8
251.17921	9.9
253.19498	10.7
261.16333	5.5
279.21088	4.8
289.19534	11.0
300.57928	4.7
345.25830	20.1
346.26569	15.8
401.28311	8.2
549.40674	12.0
567.25928	9.8
567.34021	7.0
567.41693	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.8
53.12930	6.3
55.05499	23.5
57.07067	10.6
59.44522	6.3
67.05504	49.0
69.03439	15.5
69.07061	25.1
79.05491	35.1
79.88963	6.2
81.07038	72.1
83.05011	8.8
83.08604	14.3
91.05459	58.4
93.07034	81.7
95.04961	12.6
95.08586	70.5
98.21444	15.0
98.91980	6.1
105.07019	99.2
107.08575	80.6
109.10154	49.6
115.05416	8.0
117.06989	20.9
119.08572	98.7
121.06561	8.3
121.10128	89.3
123.08044	11.2
123.11699	36.1
129.06973	12.5
131.08571	52.9
133.10100	100.0
135.11662	60.7
137.09595	14.5
137.13286	7.8
142.07809	10.2
143.08533	35.5
144.09323	9.0
145.10117	72.3
147.11668	30.9
149.09630	6.7
149.13226	11.0
155.08586	16.3
156.09309	13.5
156.64821	6.8
157.10110	56.7
159.11678	40.7
161.09593	8.4
161.13255	15.1
165.07001	9.1
168.09474	7.7
169.10109	37.5
170.10925	9.2
171.11647	39.1
173.13260	38.6
175.14793	40.2
181.10123	22.1
183.11678	17.0
185.13266	23.5
187.14825	28.9
189.16379	7.8
191.14293	11.5
193.10106	12.8
195.11708	24.2
197.13235	26.9
199.14775	19.1
201.16313	17.5
207.11687	24.9
209.13231	26.7
210.13980	7.8
211.14804	15.0
212.23286	6.9
213.12683	8.7
213.16394	11.0
219.11627	7.2
221.13205	15.6
223.14806	19.1
225.16380	11.2
225.60188	7.0
233.13191	12.5
235.14792	13.0
237.16183	8.7
243.11823	8.4
245.13359	10.6
247.14647	7.9
251.17906	9.3
261.16373	12.7
265.19568	15.1
267.21182	9.3
275.17865	7.6
277.19330	7.5
293.19196	9.8
295.20340	6.8
305.22913	7.7
306.37247	7.8
307.20410	8.7
361.25159	13.4
427.29587	9.5
549.40979	36.1
567.41785	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01869	19.5
55.05487	7.7
56.05035	3.0
58.99574	19.0
60.04514	2.0
60.08152	2.3
61.01125	6.9
65.03924	2.2
67.05474	6.8
69.07056	5.6
70.02946	22.1
70.26291	5.5
70.26711	3.1
70.33195	1.7
72.64894	1.8
74.00640	2.4
74.02445	2.0
76.02222	60.0
76.03986	11.4
79.05476	8.6
80.05005	2.6
81.03426	3.0
81.07030	6.1
83.04964	3.1
83.06081	5.2
84.04501	17.4
85.01111	6.8
86.09675	5.4
86.99029	5.9
88.02191	7.4
88.03950	4.7
91.05458	11.7
93.07021	6.9
95.04948	3.7
95.08613	2.1
97.01059	1.9
99.05537	10.0
101.00595	3.3
102.03764	3.8
105.07015	6.5
107.08574	3.5
113.00586	5.0
115.04681	1.8
115.05428	9.5
116.01662	19.3
116.03438	5.0
117.07047	12.9
119.08553	4.5
124.99992	7.7
125.07099	3.0
127.05013	2.3
128.06198	11.6
129.07002	24.6
130.03200	15.8
130.04977	5.3
130.07733	1.7
131.04932	2.0
131.08540	3.3
133.06473	2.2
133.10110	2.2
134.01843	3.9
137.04236	2.2
141.06961	9.3
142.03174	4.3
143.08519	7.3
144.01112	9.6
144.08090	4.1
145.06062	100.0
145.10118	4.3
147.02628	6.1
153.06758	4.7
154.07800	2.4
155.08453	6.1
157.06450	4.8
158.02701	4.3
159.04631	2.2
161.04152	4.3
162.02173	27.0
165.06966	4.3
167.08569	4.8
169.06126	2.1
169.10130	2.7
170.02744	2.7
171.08017	4.1
179.04831	27.8
181.10110	2.5
183.07823	2.3
184.07335	27.3
187.05412	3.1
188.05296	2.4
189.03676	4.7
199.07089	4.5
211.07094	2.3
213.12892	2.1
215.04814	5.2
219.86427	2.0
228.17371	3.0
233.05902	7.0
241.15826	13.2
270.18549	2.2
273.13052	20.4
274.10355	4.0
274.43271	2.6
275.14566	6.9
291.13983	2.4
292.05896	2.0
298.16171	3.2
316.17209	7.7
318.18753	2.9
334.18231	2.6
370.88339	1.9
401.18924	3.2
419.19934	6.4
473.20935	3.2
491.21817	2.5
548.24707	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	16.1
57.03432	9.6
58.06577	1.4
64.10484	0.6
66.50167	0.5
70.02939	1.1
70.06563	0.7
70.64738	0.7
70.65096	1.8
74.05669	0.8
74.06065	11.5
82.06577	3.1
83.06068	0.6
83.47291	0.5
84.04493	6.8
84.08124	0.9
86.06045	1.1
86.09702	5.5
88.03972	2.4
97.03991	0.6
99.05556	2.1
100.07606	0.8
101.07109	1.2
102.05527	1.2
104.05264	0.7
109.07641	0.8
110.06019	3.2
111.05575	1.7
112.03974	0.7
125.03517	0.6
126.05497	3.3
127.04047	0.6
127.04980	1.4
127.08651	12.1
129.06577	1.2
130.04994	2.4
132.10176	2.7
134.32417	0.5
135.69704	0.6
136.03908	1.3
137.07091	1.1
138.05484	100.0
143.04543	0.8
144.06549	5.4
153.06569	3.4
154.04985	0.8
155.08127	17.3
156.06544	0.8
169.13426	0.7
171.07603	2.3
172.10757	0.9
176.03706	0.7
181.06024	3.9
189.08675	3.4
191.08525	0.9
197.12863	2.3
198.12347	4.7
199.07133	7.0
202.05307	20.6
215.13885	0.9
217.06337	1.5
217.08191	11.2
219.07973	26.3
224.10336	0.8
227.06599	1.8
233.14970	1.4
235.07222	2.1
243.13443	1.1
263.06931	5.2
264.09622	0.8
270.10800	6.1
280.81305	0.5
282.10605	0.7
284.16006	0.7
300.11935	1.6
316.09518	0.8
328.11450	0.7
330.16525	5.1
334.10635	13.2
336.11880	0.9
348.17654	2.5
353.14526	1.0
364.11746	0.9
371.15482	2.9
374.10260	0.8
390.13141	0.8
392.11163	1.4
407.15997	1.5
417.14304	4.0
435.15402	18.3
449.20059	1.0
484.23712	2.9
495.21411	0.9
502.24698	4.0
520.23914	0.6
530.22339	1.0
548.23737	7.8
566.24774	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.05489	8.9
57.07069	4.6
58.94526	2.4
59.05006	2.8
62.32810	2.3
65.03924	5.1
67.05502	26.1
69.03441	2.5
69.07066	17.4
70.18284	9.2
79.05486	20.8
81.07053	35.1
83.08616	10.2
85.06503	3.8
91.05474	36.2
93.07031	46.1
95.04942	8.5
95.08601	37.7
99.11428	2.5
99.70695	2.7
103.05470	3.8
105.07023	75.8
107.08585	50.0
109.06486	7.5
109.10144	53.5
115.05421	4.1
117.07011	16.0
119.08569	100.0
121.10136	64.7
123.08052	9.4
123.11697	17.0
128.06184	9.4
129.06958	12.4
130.07779	6.4
131.08559	34.2
133.10123	46.8
135.08063	6.4
135.11674	39.3
139.11185	2.6
141.06961	10.5
142.07751	25.8
143.08543	34.4
144.09314	5.5
145.10118	56.9
147.08075	3.5
147.11665	20.1
149.09572	3.3
149.13289	3.5
155.08530	18.7
156.09355	12.4
157.10117	62.8
158.10916	4.6
159.08090	4.4
159.11681	26.4
161.09642	4.8
161.13260	10.7
165.07033	5.8
167.08568	9.6
167.10648	8.1
168.09308	8.7
169.10114	26.9
170.10844	4.6
171.11681	29.0
173.09637	8.3
173.13197	16.1
175.11215	4.3
175.14818	42.8
179.08551	8.8
179.11961	3.2
180.09312	4.7
181.10071	16.2
182.10924	10.0
183.11661	29.0
185.13203	12.5
187.11243	3.1
187.14789	12.4
189.12668	6.2
189.16383	2.7
191.17253	2.7
192.09331	6.4
193.10094	11.8
194.10922	9.2
195.11652	20.5
196.12479	3.1
197.13199	33.2
198.14142	3.5
199.11180	8.8
199.14824	11.0
201.12686	3.1
201.16373	10.9
206.10870	6.3
207.11662	15.0
208.12436	5.2
209.13272	18.3
211.11113	6.6
211.14839	10.0
213.12712	5.9
213.16386	6.0
215.14262	6.8
219.11595	4.7
220.12392	5.1
221.13245	15.5
223.11226	2.9
223.14731	17.9
224.15306	3.3
225.12706	7.3
231.11740	4.2
233.13231	6.2
233.15338	4.1
235.14754	9.3
237.16370	5.8
239.18036	8.6
243.11647	3.3
245.13200	3.8
247.14821	8.2
249.16400	5.9
251.17987	3.0
253.19444	3.4
255.17465	3.5
257.13019	4.4
259.14850	6.4
263.17896	4.3
273.16071	4.0
273.18555	40.0
275.14413	2.3
275.17776	2.7
277.15842	3.6
279.20966	12.6
281.18964	2.8
291.20981	5.3
299.16907	4.4
299.20081	62.2
313.21710	5.1
315.21008	3.5
319.24048	5.6
325.21799	5.1
333.22107	3.5
339.23203	3.0
345.26056	2.6
351.23056	8.1
363.23172	6.0
364.96054	2.9
375.23395	4.4
431.29196	2.8
443.29541	6.6
473.33850	12.9
547.39246	4.8
565.40363	53.7
580.93414	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.05489	11.1
57.07056	5.4
67.05495	29.7
69.07068	23.0
69.45373	34.7
79.05489	20.1
81.07043	41.6
83.08598	8.7
87.84204	3.1
91.05463	35.4
93.07028	39.8
95.04964	5.2
95.08604	35.8
98.20715	7.4
105.07012	73.2
105.44801	2.9
107.08575	48.9
109.06508	7.1
109.10140	48.9
115.05431	5.6
117.06973	16.7
119.08568	100.0
121.10129	49.8
123.08034	8.0
123.11684	13.9
128.06194	9.9
129.06993	13.4
130.07712	4.0
131.08545	33.2
133.10104	56.1
135.08028	3.2
135.11678	34.2
141.06967	7.9
142.07770	18.2
142.48634	3.0
143.08557	30.8
144.09270	4.8
145.10095	55.7
147.11667	18.6
149.09608	4.0
154.07721	3.7
155.08537	13.8
155.44464	3.2
156.09337	11.3
157.10103	55.9
158.10852	5.5
159.08015	9.9
159.11725	25.9
161.09668	3.9
161.13246	10.4
165.06947	7.4
167.08542	11.2
167.10646	9.6
168.09387	3.6
169.10104	21.9
171.11664	31.4
173.09532	5.4
173.13234	20.4
175.11183	4.4
175.14827	38.1
179.08533	10.7
180.09314	4.8
181.10097	13.3
182.10933	4.2
183.11711	23.5
185.09612	5.1
185.13200	11.8
187.11111	6.5
187.14795	14.7
189.12720	6.2
189.16461	4.0
192.09306	5.3
193.10017	15.4
194.10847	6.8
195.11621	20.1
197.13225	26.9
199.11128	9.8
199.14810	5.8
201.12817	6.1
201.16284	9.1
206.10826	7.2
207.11652	11.8
208.12485	6.1
209.13290	21.1
210.13953	3.4
211.11208	7.1
211.14771	9.8
213.12782	4.4
213.16354	8.0
215.14334	5.3
221.13290	11.7
222.14005	5.7
223.14803	13.2
225.12656	8.9
233.15321	6.3
235.14761	10.5
237.16406	4.0
239.18082	6.3
241.15724	4.0
245.13144	6.7
247.14751	8.0
249.16325	5.1
251.14397	4.7
253.19441	4.2
261.16287	5.5
265.19733	3.5
273.18503	31.0
275.17740	5.1
277.15689	4.0
279.21097	10.5
299.20050	50.8
405.27927	3.7
443.29358	9.0
473.33795	9.7
547.38727	6.7
565.40277	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.4
63.81474	5.8
67.05492	23.1
69.07058	18.1
71.75412	7.0
79.05492	17.3
81.07047	41.7
83.08617	7.8
88.93072	5.9
91.05469	41.9
93.07039	47.6
95.04951	8.8
95.08615	34.1
105.07019	89.6
107.08604	53.3
109.10149	40.0
117.07002	16.9
119.03523	5.8
119.08564	100.0
119.39896	6.8
121.10134	75.8
123.11706	14.1
128.06190	7.4
129.06967	7.3
131.08569	33.9
133.06456	7.3
133.10118	39.6
135.11681	20.6
141.06993	9.8
142.07774	23.4
143.08533	33.5
145.10109	77.8
147.11693	17.8
149.09583	7.1
155.08553	21.5
156.09372	17.5
157.10123	50.4
158.10974	7.4
159.08118	10.7
159.11690	25.1
161.13171	10.3
167.08524	9.1
167.10669	22.2
168.09425	8.9
169.10141	24.5
170.10800	7.1
171.11685	27.2
173.13266	28.4
175.14861	24.1
179.08504	9.5
181.10118	22.7
182.10934	15.3
183.11653	18.3
185.13263	13.4
185.18857	6.1
187.11241	8.8
187.14853	8.7
189.12779	8.6
192.09422	7.3
193.10173	8.3
194.10988	9.2
195.11679	15.6
197.13278	28.2
199.11142	6.7
201.16428	8.1
206.10887	7.2
207.11685	19.3
208.12372	9.7
209.13304	35.0
211.14877	14.8
213.16319	7.4
215.14384	9.8
217.12166	7.2
219.11543	8.9
221.13268	8.6
223.14828	19.8
232.22647	6.8
233.13071	9.9
233.15286	73.7
249.16228	9.7
267.21118	11.8
273.18448	11.6
299.20047	20.5
345.25650	22.9
443.29425	22.5
502.69632	6.7
565.40485	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.7
55.05500	1.8
56.96558	1.1
57.03428	1.9
61.47151	1.0
65.03936	1.0
67.05503	5.9
68.90523	0.9
69.03415	2.6
69.07063	6.1
70.19118	1.0
70.19415	4.8
71.01352	1.1
79.05485	11.6
81.03379	1.7
81.07040	2.2
82.07352	1.5
83.04977	4.5
85.02888	2.0
91.05452	2.2
93.07020	1.5
95.04955	9.2
97.02900	2.1
97.06522	100.0
97.73920	0.8
105.07024	1.4
107.04935	4.1
108.05225	1.0
111.04475	0.9
117.06982	0.9
119.08556	1.0
129.07001	2.0
131.08578	1.5
140.90974	0.9
141.06989	1.4
143.08539	1.5
144.08923	1.1
145.10117	1.4
157.06462	1.1
157.10121	1.6
157.81454	0.9
161.05965	4.6
163.03912	8.2
167.08557	2.1
171.07964	1.1
173.06000	2.0
174.06775	1.2
175.07492	2.2
185.05856	1.5
185.09512	1.1
185.13274	2.1
185.15022	0.8
186.13573	1.6
187.07484	1.7
187.13954	1.0
189.09117	3.6
195.08041	2.8
195.11642	1.6
198.06636	1.1
199.07526	4.4
201.09015	1.7
203.06982	1.2
209.09720	1.6
211.07632	1.4
213.09059	7.4
215.07036	4.4
215.10693	3.1
217.08577	1.2
223.07538	1.7
225.09019	2.2
227.06900	1.5
229.08592	1.4
231.10179	2.7
239.07162	1.2
240.07964	1.0
241.08577	10.1
241.12151	3.4
249.14845	1.1
250.15103	1.5
257.11807	2.8
259.09665	19.2
260.10193	1.1
265.12140	2.1
267.13742	2.2
269.08084	2.4
269.11591	1.2
271.09454	1.1
271.13251	2.1
273.11221	1.3
283.13251	1.9
285.11310	1.3
285.14835	2.5
293.11700	2.9
295.12903	1.2
299.13007	4.5
299.15866	1.3
303.08618	2.0
309.14786	4.3
311.12781	18.3
311.16275	2.4
313.14246	8.5
319.13297	2.0
327.15872	12.4
329.13809	1.2
337.14261	12.6
345.16867	1.3
355.15372	77.1
356.15579	2.2
373.16495	11.1
525.54291	1.0
528.16040	1.8
529.20599	1.6
565.20490	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
53.15546	1.8
53.47428	2.2
55.01861	5.9
55.05498	7.5
57.03426	5.3
65.03938	2.6
67.05502	13.5
68.05830	1.9
69.03426	2.9
69.07060	22.6
70.47022	8.0
74.92899	1.8
77.41383	2.1
79.05488	18.2
80.06274	2.0
81.03418	10.3
81.07050	8.7
83.04974	13.7
84.22628	1.8
85.02901	4.2
86.18106	1.7
91.05482	7.6
93.07026	6.0
94.07396	2.4
95.04956	15.5
95.08614	4.9
97.02905	3.7
97.06521	57.6
98.07344	4.2
105.07026	6.6
107.04899	3.0
107.08533	2.4
109.06493	3.1
109.10156	4.2
111.04433	5.4
115.89801	1.9
119.08591	4.4
128.06195	2.6
129.07011	5.2
129.12820	4.4
131.08582	3.4
133.10077	2.8
135.08009	3.2
141.06958	3.3
143.08624	3.6
145.06503	2.4
145.10152	3.5
154.07507	2.1
157.06499	2.8
159.07982	3.4
159.11784	2.4
160.05228	3.1
161.02339	9.0
161.05974	13.7
162.03111	10.3
163.03915	11.0
165.06999	2.2
167.08589	5.4
167.10580	1.8
168.80092	1.8
169.06525	4.4
171.08054	4.4
173.05971	7.1
173.09677	2.2
175.03938	3.2
175.07523	3.3
175.11449	2.3
181.06528	2.7
183.04399	2.2
183.08029	5.2
185.06042	3.0
185.09680	3.3
187.07529	5.3
189.05446	2.3
189.09091	16.1
195.08113	6.9
197.05896	4.2
199.07631	3.3
201.05452	2.5
201.09102	6.4
202.06088	2.0
211.07489	4.2
212.08348	2.4
213.09010	10.5
214.06255	4.8
215.06996	12.8
215.10684	5.0
217.08578	3.2
229.08615	5.2
230.09308	2.5
231.10077	5.6
239.10579	4.1
240.07867	6.5
241.08632	12.2
258.08994	3.3
259.09650	28.4
267.13687	4.1
281.11670	2.4
287.09033	4.8
293.11694	3.2
295.13364	3.8
299.12665	2.6
309.14807	6.3
311.12842	25.7
311.16287	3.2
313.10773	3.3
313.14343	8.0
319.13214	7.1
326.45663	2.3
327.15982	12.6
329.13831	2.1
337.14276	31.6
355.15384	100.0
356.15460	3.4
373.16507	6.8
438.22125	2.3
467.79813	2.3
506.69019	1.9
511.19662	2.2
529.20721	4.8
546.53442	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1756
Annotation	Rhamnellaflavoside C
Peak:m/z	Relative Intensity
55.05483	0.8
56.04991	0.9
59.06114	2.1
59.83347	0.8
60.04502	1.0
61.27042	0.8
64.07310	0.8
67.05477	1.5
69.03429	4.8
70.06573	2.7
71.53823	1.5
75.81165	0.8
79.05472	1.0
81.03420	1.7
83.04963	1.2
84.08124	1.5
85.02888	1.4
86.09691	2.3
91.05467	1.5
95.04939	1.1
95.08646	0.9
97.06516	3.5
101.07130	3.1
107.04917	1.8
107.08557	1.0
119.04927	2.8
121.02843	6.7
121.06476	1.1
133.02869	0.9
135.04305	0.9
137.05930	1.8
141.01703	0.8
145.02824	7.4
145.06633	0.8
147.04411	1.4
163.03891	2.1
165.01813	9.7
167.06911	1.2
170.94969	0.9
175.03850	1.2
177.05551	1.0
179.03378	6.4
183.02872	7.6
191.03439	1.1
193.04932	1.2
197.04478	0.9
203.03377	2.1
207.02924	1.5
209.04488	1.6
221.04405	1.7
229.04872	4.6
255.06531	1.1
267.06439	1.4
269.11810	1.1
270.05249	1.3
271.05997	16.6
279.06473	2.0
281.08057	3.3
283.05988	100.0
284.06403	1.9
287.05655	1.4
287.12720	1.1
291.06769	1.0
293.08078	6.3
295.05911	3.4
295.09564	2.5
297.04236	3.0
297.07529	59.6
303.06546	5.5
307.05896	8.1
308.06775	2.1
309.07565	21.4
309.10800	0.7
311.05753	0.7
311.09073	16.8
312.09424	0.9
319.09506	1.2
321.07547	66.5
323.09143	19.3
325.14203	1.4
327.08627	12.1
337.10693	6.3
339.08588	32.2
344.07678	1.0
347.09122	7.7
353.13968	1.7
357.08368	0.9
365.10175	42.0
371.14859	2.0
383.11203	54.2
395.11362	2.2
401.12186	13.0
409.12476	1.2
413.12256	3.1
420.26895	1.2
425.12204	1.7
433.11279	8.1
443.13071	1.2
459.12744	8.0
460.54263	0.9
467.13638	2.1
483.12753	3.3
489.13989	9.5
501.13855	24.3
502.14514	0.9
509.14645	1.5
527.15363	9.8
545.16479	49.5
554.24585	1.0
563.17334	19.5
563.31934	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1752
Annotation	Molludistin 2''-O-rhamnoside
Peak:m/z	Relative Intensity
51.38891	1.7
53.78902	2.0
55.01846	2.4
55.05485	3.2
57.03415	6.1
60.11362	1.8
61.02905	2.1
67.05501	2.2
69.03420	17.6
69.07056	2.8
70.06567	3.5
71.04601	2.8
71.04977	36.9
71.14356	3.6
76.32143	1.7
79.05466	6.7
81.03372	5.0
81.07030	2.6
83.04954	2.7
83.56670	1.9
84.04507	2.1
84.08131	1.9
85.02892	43.2
86.09669	5.9
87.04475	2.7
91.05459	6.2
93.07035	3.3
95.04924	2.6
97.02843	3.4
97.06516	7.3
103.05460	5.2
105.06969	3.3
107.04927	3.1
109.02853	3.1
111.04446	3.8
115.05350	2.7
115.92393	1.8
117.06918	2.3
119.04906	3.9
121.02856	12.2
121.10064	2.2
129.05472	6.0
131.04903	17.9
132.05672	16.9
133.02791	2.1
136.80034	1.9
145.02803	7.9
145.06412	1.8
147.04294	2.7
151.07401	1.8
160.05206	11.8
161.05957	3.3
163.03864	10.9
163.07596	2.2
165.01814	7.5
167.03365	4.0
167.06989	5.0
175.03870	1.7
177.01726	2.3
177.05444	12.8
179.03333	3.0
179.06935	4.4
180.07802	8.1
181.04912	2.4
183.02853	7.4
187.03850	5.7
187.07529	2.5
191.07005	23.5
192.07779	89.8
195.02890	3.8
207.06519	3.1
217.71155	1.8
221.04353	2.1
226.75381	2.1
229.04861	2.1
259.09518	2.1
267.06442	9.3
270.05185	6.5
271.05997	7.2
281.08124	9.1
283.05978	78.1
284.06720	14.5
287.05539	4.8
287.12854	4.2
293.07892	3.2
295.05997	13.6
297.04327	3.6
297.07425	16.0
299.05435	2.1
307.05994	4.0
307.09424	3.9
309.07532	29.8
311.09064	8.3
313.07001	99.9
315.13931	3.3
319.09656	2.7
320.06589	1.9
321.07602	23.3
323.05533	2.3
323.09155	6.1
325.06818	2.5
325.10394	2.5
327.08524	4.7
335.09067	20.1
337.06973	46.8
337.10898	3.5
339.08713	11.8
341.10092	4.5
343.15475	2.0
345.07565	5.1
353.10129	21.8
353.13885	2.8
363.08591	53.0
365.10181	9.6
371.11148	17.0
371.15015	2.8
381.09628	100.0
382.10010	2.7
383.11328	15.0
395.11176	4.5
399.10748	32.4
400.10931	2.4
401.11755	6.8
413.12125	5.4
417.11749	73.6
425.12277	3.3
443.13327	3.4
467.13156	2.5
483.22296	2.1
489.13297	2.5
501.13754	3.6
509.14090	3.9
527.15344	11.1
545.16406	13.2
563.17767	9.3
563.33301	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	11.8
57.03408	4.7
57.07053	8.8
57.13190	3.2
67.05479	11.5
69.03408	12.9
69.07057	57.2
71.04971	4.1
71.08613	7.5
73.06528	10.0
77.78186	2.5
79.05473	11.1
80.82958	2.9
81.03410	30.8
81.07033	13.2
83.04969	4.3
85.02879	24.3
87.00821	9.3
87.04439	3.4
89.06006	10.0
91.05462	8.4
93.07018	7.5
95.04963	4.0
95.08568	5.3
97.02878	84.5
97.06546	5.1
99.04401	5.7
105.01849	19.7
105.07048	6.5
107.08563	7.4
109.02867	39.1
109.06513	5.1
109.10153	4.0
111.11708	65.2
119.08492	4.1
121.10125	3.0
125.18179	2.9
126.36609	2.9
127.03899	69.3
129.07054	3.2
129.12743	100.0
137.09634	3.3
145.04918	13.7
199.16853	8.7
213.03876	5.9
217.17949	12.9
221.63779	3.3
231.04970	14.6
246.61752	3.8
248.07419	3.5
249.06059	10.5
266.08850	4.7
373.69614	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.1
54.24358	2.2
55.01874	3.8
55.05500	8.2
57.03443	4.2
57.07069	13.4
57.58731	2.1
59.04998	2.4
67.05471	4.1
69.03431	16.0
69.07063	53.5
71.04980	3.1
71.08618	6.8
73.06544	13.3
79.05479	6.9
81.03412	36.6
81.07043	6.8
83.08608	3.0
85.02899	24.2
85.10166	3.7
87.00821	9.8
89.06028	12.5
91.05463	8.1
93.07040	7.1
95.04959	3.4
95.08560	3.1
97.02881	72.2
97.06528	4.2
99.04461	5.3
99.74994	2.4
105.01846	21.7
105.06957	3.7
105.72476	2.2
109.02871	35.9
109.10135	3.1
111.11702	65.2
115.26248	2.4
117.07001	2.9
127.03896	75.2
129.12743	100.0
131.08571	2.4
145.04915	14.2
145.10123	2.8
147.11696	3.3
175.70383	2.2
181.52939	2.1
199.16878	10.5
213.03958	6.1
217.17976	16.9
224.19440	2.1
231.04950	16.5
249.06032	9.3
266.08649	5.0
294.07166	3.2
329.01700	8.7
341.15994	2.5
359.16638	2.3
424.77158	2.4
452.33325	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.5
55.05501	51.2
57.03434	10.2
57.07059	5.5
62.86233	3.8
65.03935	5.9
67.05497	96.3
69.03421	5.9
69.07072	29.4
71.05001	6.0
71.75515	6.4
79.05492	62.9
81.03409	17.0
81.06600	7.0
81.07043	100.0
83.04960	14.6
83.08611	29.1
85.06532	6.7
91.05462	62.9
93.07033	74.2
94.66013	3.8
95.04957	16.1
95.08598	55.3
96.24968	4.4
97.02827	5.3
97.06519	11.1
97.10152	34.2
105.07010	41.0
106.42603	3.9
107.04939	10.5
107.08580	57.8
109.06490	10.4
109.10149	38.3
111.04415	10.6
111.08076	7.9
117.06997	25.5
119.08557	45.4
121.06502	5.6
121.10128	24.6
123.11689	10.7
125.09600	24.3
129.06967	14.7
130.07742	4.7
131.08553	41.9
133.10115	33.1
135.08051	8.7
135.11629	18.6
137.09715	4.6
141.06944	5.6
143.08543	14.3
145.10104	38.5
147.07996	5.1
147.11635	20.0
149.09547	7.7
149.13199	7.1
151.11188	5.4
152.36847	4.4
153.12674	6.3
155.08539	9.3
157.10078	11.2
159.11679	18.7
161.13245	13.9
163.11157	17.5
164.17468	3.9
169.10103	9.9
171.11685	11.7
173.13275	14.8
175.14821	7.7
181.12213	12.8
183.11610	7.3
185.13155	9.0
187.14740	5.6
189.11272	13.5
191.10678	7.9
193.12283	5.5
195.11819	6.7
199.14723	7.0
209.11676	11.2
227.12721	30.4
259.20618	6.1
261.22198	13.9
277.21649	4.7
283.15311	14.4
299.23636	23.8
301.21545	8.1
317.24713	13.7
335.25800	12.0
415.30057	7.4
433.30865	8.6
441.71912	4.9
451.31976	13.0
469.33075	15.9
487.34027	14.2
515.37122	5.4
525.35553	18.1
543.28998	7.2
543.36792	99.3
561.37805	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.1
55.01852	11.0
55.05317	3.4
55.05505	40.7
57.03412	14.9
57.07063	7.5
67.05496	100.0
69.03406	6.1
69.07056	35.6
69.51288	35.7
71.04976	7.4
79.05482	76.3
81.03419	12.1
81.07043	92.3
83.04968	13.7
83.08600	18.9
91.05474	71.5
93.07036	81.2
95.04949	18.0
95.08600	67.7
97.02918	4.1
97.06516	16.7
97.10149	13.8
99.04392	4.4
99.08131	4.4
105.07014	61.7
107.04943	11.0
107.08585	51.6
109.06477	14.9
109.10142	35.9
111.04423	9.4
111.08050	8.9
117.07019	28.6
119.08553	42.4
121.06422	6.8
121.10138	44.5
123.08072	10.2
123.11697	11.7
125.09612	16.0
128.06207	4.9
128.07091	5.0
129.06981	13.9
131.08548	36.2
133.06442	7.9
133.10110	47.9
135.08009	10.3
135.11656	22.1
137.05943	4.4
139.11160	7.4
143.08534	15.4
145.10100	34.3
147.08018	5.5
147.11655	24.0
149.09615	9.4
149.13231	15.1
151.11133	5.8
155.08537	11.0
157.10092	15.5
159.11691	17.8
161.09607	10.4
161.13252	9.8
163.11133	13.3
166.37154	4.2
167.10622	4.6
169.10133	12.2
171.11641	15.9
173.09547	7.4
173.13200	10.4
175.11206	8.0
175.14722	6.0
181.12192	8.2
183.11674	10.8
185.01648	4.3
185.13235	8.5
197.13226	7.8
209.11630	30.3
217.98901	4.8
227.12726	12.1
237.30972	4.7
244.87831	4.4
253.14273	7.0
261.22638	6.0
273.22141	5.0
275.20154	7.4
277.21524	7.3
283.15378	10.4
301.21564	4.9
315.23285	12.2
433.31082	8.2
451.32004	20.6
467.73395	5.7
469.32846	15.6
487.34241	13.5
525.35547	26.5
543.36737	69.7
544.36603	7.1
561.37994	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	9.8
55.05508	27.8
57.03429	5.9
58.08612	3.1
65.03934	6.6
65.21751	3.2
67.05499	86.7
69.03412	3.2
69.07063	19.9
69.42512	34.9
71.04979	3.5
79.05484	86.7
81.03393	10.7
81.07047	100.0
83.04978	12.0
83.08614	12.6
91.05473	71.7
93.07031	87.6
95.04962	22.0
95.08602	53.3
97.06532	8.3
97.10172	7.0
99.08135	3.2
105.07017	43.9
107.04917	9.9
107.08580	40.7
109.06484	5.8
109.10156	18.7
117.07027	13.8
119.08555	25.8
121.10120	25.7
123.08047	6.1
123.11684	8.0
125.09640	4.1
129.06976	12.0
131.08533	17.3
133.10135	18.6
135.11694	15.7
137.09654	4.0
143.08543	13.6
145.10135	20.3
147.11681	37.0
149.09573	3.8
149.13213	4.5
157.10162	7.1
159.11676	13.3
161.09512	5.2
161.13266	15.6
161.14432	3.6
169.10129	4.1
171.11710	25.6
173.13257	7.0
185.13223	5.0
187.14842	4.4
189.12775	11.4
207.13730	18.5
243.21063	4.0
259.20459	4.3
261.22095	16.3
263.55753	3.1
279.15860	4.9
281.17496	37.1
313.25446	5.0
335.25763	47.3
336.26251	3.8
449.34296	6.4
467.35117	4.6
541.38928	86.5
542.39197	4.0
559.40100	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.8
53.03933	4.5
55.01856	2.7
55.05506	1.3
57.03426	1.9
61.02912	3.5
63.66593	0.8
65.03935	0.8
67.05494	2.8
69.03422	18.4
69.07062	0.8
69.73077	0.9
69.86940	1.5
69.87344	4.4
71.04988	3.8
73.02903	0.8
77.22751	0.8
79.05483	8.6
81.03410	8.7
81.07047	8.2
83.01344	1.1
85.02895	19.5
87.04446	1.0
91.05465	15.6
93.07027	9.0
95.04960	3.4
95.08598	1.1
97.02882	41.6
97.06507	1.0
99.04436	6.6
103.05455	3.7
105.03363	1.6
105.07018	17.2
107.04944	81.5
107.08593	2.2
109.02866	6.8
113.01318	0.9
115.05472	3.6
117.06997	9.6
119.04948	2.1
119.08549	5.1
121.06504	10.4
123.04473	0.8
127.03904	15.0
128.06212	8.3
129.07002	16.6
130.07706	1.1
131.04955	0.9
131.08542	13.3
133.06474	3.8
133.10109	1.2
135.04428	1.5
137.05962	2.2
141.06981	19.1
142.07765	11.8
143.08556	19.5
144.09268	1.3
145.04947	27.4
145.06439	3.1
145.10101	3.2
147.08018	1.4
149.05966	4.8
151.07474	3.6
153.05443	7.2
153.06964	9.7
154.07774	2.7
155.08539	34.7
156.09300	2.2
157.06465	1.9
157.10110	35.8
158.10455	0.9
159.08063	3.3
159.11687	2.0
161.05946	1.8
163.07571	0.7
165.05550	1.5
165.06976	2.9
166.07773	4.3
167.07225	0.9
167.08521	5.9
168.09331	27.4
169.06480	3.3
169.10098	5.8
171.08055	3.3
173.06013	3.6
173.09612	3.3
173.13217	3.9
175.07484	1.0
178.07768	5.1
179.08661	0.9
181.06497	2.5
181.10104	15.1
183.08072	2.9
183.11674	59.8
184.12083	2.7
185.09654	1.9
185.11716	0.7
185.13243	2.9
187.07507	4.9
187.11147	1.8
193.10115	22.0
195.07994	0.9
196.08818	3.2
197.09557	1.0
199.11156	2.4
201.09024	5.3
201.12695	9.3
209.09491	0.9
211.11157	29.1
227.10672	0.8
229.12212	100.0
230.12570	2.0
247.10983	1.4
247.13269	11.1
279.08572	2.7
289.15820	2.5
297.09695	5.7
299.14172	1.4
317.15384	5.1
319.32404	0.8
335.16373	26.1
335.20367	1.4
336.16669	1.1
422.60995	0.8
430.32523	0.8
489.19458	1.0
507.20056	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.1
65.03925	0.3
68.99778	0.2
69.03411	0.2
70.06570	0.3
71.74004	0.1
71.74445	0.1
72.08127	0.2
81.03393	0.3
82.04174	0.2
84.04482	0.1
84.08153	0.3
85.02897	0.2
86.09687	0.5
91.05484	0.2
92.02612	1.1
92.86693	0.1
93.03400	1.2
97.02893	0.1
109.02872	0.2
111.00783	0.2
121.02843	0.9
124.05191	0.1
126.03110	0.4
135.04375	0.2
137.02278	0.4
137.05925	0.4
139.03889	0.9
150.03038	0.2
151.03853	0.7
153.01814	7.7
163.03828	0.3
165.01773	0.7
166.02614	0.2
177.05408	0.3
181.46017	0.1
183.02875	0.2
183.04353	0.2
187.03879	0.2
200.04701	0.3
201.05388	0.7
203.03305	0.5
204.04082	0.2
217.04971	1.2
218.05719	0.6
219.02794	0.3
228.04149	1.7
229.04936	3.8
231.02800	0.5
236.89871	0.2
243.06364	0.1
244.09552	0.5
245.04395	1.7
246.05209	1.8
247.02223	0.2
255.03119	0.2
256.03705	0.1
257.04431	2.9
258.04916	0.3
260.03128	0.4
261.07391	0.3
271.06195	0.2
273.03906	2.8
274.04675	4.9
275.05045	0.2
284.03162	0.6
285.03912	5.0
286.04642	0.3
287.02170	0.2
287.05521	0.6
288.06256	0.5
300.02692	0.2
301.03448	1.4
302.04178	14.5
303.04541	0.2
315.04950	2.0
316.05765	6.8
317.06522	100.0
318.06891	2.5
397.02213	7.8
479.11792	1.8
559.07751	0.9
559.29413	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	4.9
57.45683	3.8
67.05470	6.8
70.06564	27.4
71.74585	5.0
72.08144	8.7
79.05473	5.0
84.04498	4.8
84.08088	6.1
85.02888	4.6
86.09688	13.4
91.05461	18.3
93.07021	6.0
93.33180	3.6
95.18283	3.8
102.05505	5.3
103.05434	15.6
105.07014	12.3
107.04913	24.3
115.05420	4.3
119.04916	17.1
120.08097	17.3
121.06456	9.1
122.03616	5.2
123.30933	4.2
125.02310	6.5
128.06149	5.8
129.06985	7.4
129.10181	4.8
131.04907	15.0
133.06447	6.8
135.07999	5.5
137.05952	85.8
138.09108	10.0
147.04379	14.4
149.05891	7.8
151.07497	46.7
161.05951	100.0
161.09592	18.8
162.06772	6.3
163.07524	44.1
174.06670	4.5
175.07492	9.1
181.08566	11.4
189.09070	65.9
195.08121	4.5
207.10115	91.2
207.11957	7.6
207.67867	4.5
212.51714	5.0
215.06966	4.9
219.10143	9.6
220.07510	4.4
221.05888	5.9
227.10562	11.4
229.37848	4.4
253.08621	5.1
253.12172	6.8
255.10226	5.7
281.11517	6.5
285.11108	9.3
287.12741	36.8
311.12857	11.9
313.14246	39.4
331.15356	58.4
343.15430	7.2
461.15668	5.1
468.53571	4.9
483.81668	4.9
558.21497	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01860	2.0
55.05498	2.2
57.03418	1.6
60.87792	0.9
65.03919	1.1
67.05495	19.3
69.03419	5.2
69.07067	2.0
70.06590	1.8
71.04977	2.6
71.23482	0.9
71.23823	2.1
74.28471	1.0
79.05487	3.5
81.03407	18.3
81.07044	12.0
85.02906	5.5
85.06548	2.0
87.00832	1.5
91.05482	2.8
93.07047	4.8
95.04953	5.3
95.08601	8.5
97.02881	5.3
97.06512	6.5
99.04462	2.7
105.01875	1.1
105.07073	1.0
107.08580	3.9
108.04491	2.2
109.02850	12.8
109.06531	1.8
109.10145	48.9
111.04415	1.4
119.08572	4.4
121.10134	2.9
123.00789	1.2
125.02345	2.3
125.05967	2.0
127.03896	6.2
135.08009	1.4
137.09596	100.0
146.10442	1.0
155.10620	5.4
163.03934	1.7
165.09097	95.0
166.09512	1.1
171.65021	0.9
183.10136	7.9
189.09123	1.4
195.13757	2.5
201.11182	8.0
213.14862	5.4
233.11684	1.2
249.11275	1.9
267.14758	1.0
273.11151	2.0
291.12210	9.0
293.14038	1.4
309.13300	28.6
318.34607	0.9
327.14346	8.8
329.17300	1.2
345.15350	1.5
355.15646	1.1
383.11237	3.1
491.13525	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01862	3.6
55.05263	2.1
55.05506	19.1
57.03420	5.4
57.07067	3.1
65.03939	1.7
67.05499	35.4
67.53745	1.1
69.07061	15.8
69.52110	4.1
69.52547	7.0
71.04984	2.9
79.05484	33.5
81.03391	3.1
81.07043	40.2
83.04959	4.0
83.08616	9.1
85.06535	2.8
91.05474	32.5
93.07033	30.6
95.04959	9.4
95.08596	24.8
97.06516	4.7
97.10171	6.0
103.05493	1.9
105.07018	29.2
107.04958	3.7
107.08578	16.7
109.06515	2.9
109.10122	9.8
111.08066	3.5
115.05456	1.5
117.06990	18.6
117.07752	1.1
119.08568	28.3
121.06522	3.3
121.10091	10.0
123.08088	3.5
123.11665	1.3
125.09649	2.9
128.06215	4.7
129.05501	1.1
129.06989	19.3
130.07788	2.1
131.08554	30.2
133.06561	1.5
133.10098	16.5
135.08064	2.8
135.11664	7.4
137.09642	1.2
138.95929	1.1
141.06970	8.5
142.07800	4.6
143.08542	22.9
143.09589	1.3
145.06474	2.7
145.10109	25.9
145.11197	1.6
147.08025	1.5
147.11671	15.8
149.09599	2.7
149.13298	4.4
153.07045	2.7
153.14922	1.1
154.07796	2.6
155.08530	16.6
156.09392	2.5
157.10103	19.9
157.11214	1.9
159.08066	2.0
159.11674	18.6
161.09637	2.6
161.13249	9.8
163.11137	1.9
163.14903	1.5
165.07033	2.0
166.07806	2.1
167.08540	7.9
168.09389	2.0
169.10123	21.4
169.11478	1.8
170.10907	2.2
171.11678	20.7
173.09618	1.7
173.13254	12.2
175.11238	1.6
175.14838	4.0
177.12802	3.3
179.08615	3.3
181.10098	12.0
182.10852	1.7
183.11674	17.6
185.09616	1.4
185.13219	16.2
187.14825	7.7
189.12785	2.2
193.10179	5.3
195.11708	13.0
196.12561	1.7
197.09702	1.1
197.13211	11.6
199.11160	1.1
199.14764	8.5
201.12805	1.6
201.16393	2.7
207.11729	5.4
207.13846	3.8
209.13182	8.3
211.14787	7.9
213.16318	6.9
215.14113	1.5
217.19685	1.3
219.11671	1.6
221.13274	4.5
223.14832	5.6
225.16452	2.8
231.17494	1.2
233.13225	1.9
235.14806	3.4
237.16444	4.2
239.18056	2.3
241.19600	5.1
247.14764	1.7
247.16983	2.9
249.16365	1.5
251.18080	2.2
257.19055	2.6
259.20471	12.2
261.22165	1.8
279.15970	2.2
279.21271	1.7
281.17377	6.2
295.20737	2.3
297.18655	1.1
297.22217	2.8
307.20447	1.4
313.21820	1.4
321.22104	2.3
323.23749	2.9
325.21631	2.2
325.25217	1.6
329.06561	2.9
333.24326	3.8
335.23834	3.3
337.25244	1.3
339.23102	2.5
349.21649	1.5
349.25552	1.7
353.24866	3.1
365.24988	1.8
367.26358	2.3
379.26791	1.6
391.25961	1.4
419.33307	4.2
429.31741	6.8
435.32965	1.6
437.34085	13.5
447.32632	27.9
465.33591	32.1
465.39703	2.1
483.34717	18.3
501.35730	2.2
503.35397	1.7
510.70569	1.4
511.37915	2.1
521.36292	9.9
527.37439	2.6
529.38818	8.0
539.37317	100.0
540.37921	2.5
557.38452	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.2
53.81213	3.0
55.01862	3.1
55.05505	27.7
57.03417	7.3
57.07056	5.3
61.89726	2.2
65.03933	3.2
67.05495	47.2
69.07058	21.9
71.04979	4.6
71.40781	2.2
74.23315	2.5
79.05482	38.3
81.03394	4.7
81.07047	51.4
83.04935	7.2
83.08608	13.2
83.93252	2.3
85.06533	4.5
91.05464	50.0
93.07036	37.9
95.04959	11.1
95.08591	36.4
97.06519	8.3
97.10149	7.0
105.07018	36.9
107.04911	4.9
107.08578	19.7
109.06528	3.5
109.10136	15.2
114.16199	2.3
117.07008	18.5
119.08569	36.1
121.06499	3.8
121.10115	16.5
123.08015	3.5
123.11655	3.7
125.09631	4.3
128.06236	6.2
129.06970	21.1
131.08540	31.8
133.10101	21.7
135.11670	7.3
137.09459	2.5
141.06958	9.6
142.07713	6.1
143.08562	28.9
143.30730	2.6
145.10089	28.8
147.07999	3.4
147.11668	18.7
149.09587	3.0
149.13255	6.3
153.06995	2.9
154.07782	3.2
154.83221	2.8
155.08521	20.9
156.09256	2.8
157.10115	24.0
159.11682	20.9
161.09677	3.2
161.13277	12.8
167.08546	10.6
168.09369	3.7
169.10103	27.6
171.11665	30.0
173.13263	13.4
174.10085	2.4
175.14816	3.9
177.12773	3.2
179.08633	3.0
181.10057	14.5
183.08141	3.0
183.11674	20.5
185.13211	16.8
187.11176	5.6
187.14815	5.8
193.10118	5.2
195.11667	12.0
197.13194	14.1
199.14818	13.0
207.11639	4.5
207.13666	3.0
209.13237	11.3
211.14835	9.1
213.16374	9.2
221.13252	6.9
223.14825	8.4
225.16432	5.8
235.14883	5.3
237.16444	3.4
241.19508	7.9
247.14612	2.6
247.16934	3.1
259.20599	10.6
263.17914	2.9
278.82147	3.1
279.15604	4.3
281.17557	9.3
311.23502	3.3
315.23230	3.9
321.21866	3.1
333.24216	5.5
339.23013	3.2
353.24771	4.9
365.24506	3.5
379.88300	2.7
429.31448	4.9
437.34302	17.4
447.32547	30.7
465.33578	31.8
483.34726	25.0
501.35760	3.4
511.36966	3.2
521.36035	10.4
529.38574	10.5
539.37244	100.0
557.38434	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84044	1.3
61.02916	1.4
65.03902	1.2
65.67834	1.2
66.95383	1.2
69.03436	2.1
70.06568	4.3
71.20470	3.1
78.02703	1.3
85.02868	6.8
91.05453	1.9
94.04169	2.8
97.02887	3.2
103.05441	5.8
109.06514	2.3
111.04450	2.3
115.05439	2.0
117.06870	1.3
121.36167	1.4
122.03629	4.9
125.05956	3.0
128.06197	3.5
129.06982	14.9
131.04921	13.8
137.05954	100.0
143.04903	2.4
145.06424	2.0
153.05457	6.1
157.06494	18.0
160.05193	3.8
161.05983	2.7
163.07532	7.9
172.05214	4.6
174.06754	5.8
175.07518	36.9
177.09030	1.7
187.05814	1.7
187.07510	37.8
189.09070	37.9
203.08591	2.3
205.08589	4.4
207.10251	3.1
217.08603	9.6
219.08032	4.0
231.07974	3.9
235.09540	1.8
247.07610	3.6
248.08379	2.4
250.06645	1.4
261.09119	1.6
263.10599	3.8
264.07913	2.2
265.08487	1.6
268.07321	1.3
270.08841	4.6
271.09625	4.3
276.07986	1.8
279.10126	6.1
283.09567	2.3
291.10077	11.0
296.10205	2.0
309.11075	1.4
311.12729	20.5
323.12778	19.7
341.13797	26.2
363.65475	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72315	0.8
53.03922	2.0
55.01859	1.5
55.05498	2.6
57.03431	1.2
65.03919	2.8
67.05494	18.6
69.03414	4.3
69.07057	1.4
70.06577	5.4
71.04959	1.0
71.58813	1.1
71.59157	1.6
72.08140	1.6
79.05479	3.3
81.03414	14.2
81.07047	8.4
83.04955	1.1
84.04460	1.1
84.08128	1.3
84.46484	0.9
85.02885	3.4
86.09685	3.0
91.05478	5.8
91.05948	1.2
93.03384	3.6
93.07045	4.9
95.04955	5.1
95.08594	5.5
97.02875	4.3
99.04420	1.5
103.05425	1.2
106.06542	4.0
107.04991	1.4
107.08585	2.8
109.02877	7.2
109.06547	1.3
109.10149	39.3
111.04442	7.4
117.07029	1.0
119.04910	2.2
119.08538	2.6
120.04460	2.3
121.06488	6.5
121.10119	1.1
125.04654	1.3
125.05035	1.2
125.05972	19.3
127.03911	6.4
134.05986	6.9
136.56169	1.0
137.05981	17.9
137.09602	83.5
149.05968	55.9
151.07523	1.6
153.05453	57.1
155.10634	3.9
165.07706	2.5
165.09105	49.8
166.05054	4.2
166.08620	41.6
176.07069	3.9
177.05382	4.5
183.10132	4.3
190.08601	2.3
195.06516	71.4
201.11180	5.7
208.09659	2.0
212.09158	100.0
214.08636	1.3
222.07703	1.3
245.45808	1.1
254.10254	4.3
256.09668	3.7
264.13116	1.0
274.10638	2.7
291.12344	1.0
302.10165	10.9
308.14404	1.0
309.13281	4.4
320.11194	2.3
327.14404	8.6
338.12106	1.0
356.13254	1.2
394.21521	0.9
502.20441	6.4
520.21539	3.3
538.22601	3.5
544.17493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01867	1.7
55.05508	3.0
57.03424	1.3
67.05496	17.0
69.03426	3.9
69.07085	1.4
70.06573	1.4
71.04975	1.2
71.13825	1.0
71.14163	1.4
79.05493	3.9
81.03408	13.1
81.07046	9.5
82.07378	1.0
83.05004	2.1
85.02917	3.5
90.31709	0.8
91.05499	2.3
93.07058	3.4
95.04954	4.2
95.08586	5.8
97.02871	4.5
97.06532	1.3
99.04472	2.3
105.16415	0.8
107.08599	1.7
107.39165	0.8
109.02868	13.7
109.06509	2.4
109.10144	39.9
111.04443	2.0
117.03391	1.6
117.06991	1.1
119.08548	4.9
121.10173	1.0
125.05943	1.2
127.03928	6.1
131.08463	1.0
135.08055	1.6
136.01720	0.9
137.09596	98.7
145.02832	5.2
147.08015	1.2
149.05984	0.9
155.10620	5.6
165.09094	100.0
177.05423	8.4
183.10178	9.6
201.11171	9.0
237.98689	1.0
273.11221	1.4
291.12201	7.8
309.13297	28.5
321.91351	0.9
327.14334	7.8
397.80017	0.9
490.88611	0.9
541.47552	0.9
556.27716	1.5
572.50140	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.9
58.31519	3.0
59.15909	3.0
67.05496	7.8
69.07085	3.7
70.06580	4.5
70.92561	8.7
71.04977	10.0
76.73981	3.3
79.05479	6.5
81.03406	9.5
81.07050	5.7
85.02880	7.8
85.06543	12.2
86.09696	3.4
91.05462	9.8
93.07016	6.1
95.04967	7.7
95.08582	8.2
97.02898	12.0
97.06500	7.5
105.07023	10.9
107.08586	21.4
109.02869	7.8
109.06502	55.6
109.10137	26.4
111.08069	7.0
119.08585	4.8
120.08089	4.2
121.10132	15.2
123.08062	14.6
127.03912	9.5
131.08560	18.0
133.10121	18.2
135.08043	42.3
137.05971	13.3
138.06345	4.2
138.81129	3.6
145.10185	5.1
147.11745	4.0
151.03894	5.6
155.81389	3.4
158.10905	5.7
158.22554	2.9
169.90245	3.3
173.13290	20.3
191.14290	100.0
209.15314	47.0
209.16974	4.0
219.10258	3.7
266.08752	4.9
278.77249	3.5
284.09888	7.2
486.12573	4.5
511.25607	4.1
524.60645	3.1
554.21075	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.8
57.07054	1.7
57.23915	1.4
60.25129	1.5
67.05497	8.0
69.03412	4.4
69.07049	2.5
69.67140	2.4
69.67547	10.7
70.06598	2.0
70.73846	1.4
71.04977	5.5
79.05476	6.8
81.03403	5.1
81.07040	7.8
85.02894	2.3
85.06544	2.2
91.05476	6.8
93.07027	6.3
95.04951	5.5
95.08590	8.5
97.02886	7.1
97.06516	3.7
105.01878	3.2
105.07027	8.4
107.08573	12.1
109.02861	3.1
109.06504	85.8
109.10146	23.1
111.08064	3.6
117.07013	2.6
119.04836	1.6
119.08584	3.0
121.10127	6.8
123.08055	15.9
127.03899	5.6
131.08556	14.0
133.10124	18.6
135.08025	38.7
145.10141	3.4
147.11678	3.2
149.09604	2.9
149.13222	2.5
153.09108	2.8
158.10930	3.6
173.13257	22.2
191.14287	100.0
192.14592	2.2
209.13341	3.2
209.15353	67.3
266.08783	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26918	1.8
52.91817	2.2
53.03914	2.7
55.05500	6.1
57.07057	2.8
59.04988	4.3
62.01904	2.0
67.05479	2.1
68.93123	2.1
69.03419	6.1
69.07049	6.3
70.06606	2.9
71.04982	8.5
71.28657	2.8
71.28989	3.0
78.24200	2.0
79.05473	11.6
81.03395	12.4
81.07048	12.5
83.04966	9.1
84.08133	2.7
85.02912	15.2
85.06529	3.7
86.09682	3.5
87.04463	5.1
91.05472	13.1
93.07036	16.2
95.04951	9.2
95.08608	9.4
97.02876	20.0
97.06519	14.3
99.04458	3.5
99.08091	4.0
105.01826	4.1
105.07005	23.4
107.08580	71.3
107.09322	3.9
109.02873	9.0
109.06505	93.0
109.10099	2.5
111.08037	4.1
119.08550	19.1
121.09264	2.9
121.10131	51.0
123.08048	77.4
123.11680	16.1
125.05971	7.3
125.09621	15.5
127.03897	10.8
127.07526	4.1
131.08565	10.1
133.10126	2.7
135.11685	4.4
137.05965	5.7
137.09605	6.4
137.13243	6.4
139.11183	7.8
145.04906	2.6
145.10107	12.3
147.11665	39.2
149.09599	100.0
151.07520	8.6
155.08701	2.2
155.10638	5.7
156.09322	4.6
161.13251	5.4
163.11183	6.0
165.09116	2.9
165.12737	15.5
167.10645	23.2
171.11655	9.9
179.14293	18.8
189.12730	24.6
191.10733	2.0
207.13770	75.9
225.14798	55.6
474.27881	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89236	1.0
57.90564	1.0
61.40569	0.9
69.42549	10.5
88.59973	1.1
112.89604	14.2
114.89338	3.0
150.91962	1.2
170.93964	1.0
172.01355	0.9
192.93079	1.4
210.94055	100.0
214.89534	1.3
228.94211	3.0
246.95262	1.9
254.90633	1.1
256.90558	1.9
270.81625	3.8
270.95209	3.8
277.86499	1.0
316.92578	1.3
381.07925	13.2
419.03146	2.8
453.08264	1.0
483.46149	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05037	0.6
58.06618	0.6
58.31853	0.2
59.07382	0.2
60.08153	7.5
67.05493	0.6
69.03421	0.2
69.07047	0.3
70.06572	0.3
70.35083	0.4
70.35480	0.4
71.07360	3.0
76.56930	0.1
76.91296	0.1
79.05483	0.4
81.03429	0.3
81.07050	0.5
83.04985	0.2
83.08608	0.2
86.09690	32.7
91.05458	0.4
93.07018	0.6
95.04949	0.3
95.08620	0.3
97.06497	0.2
98.98450	2.9
104.10725	9.7
109.10156	0.3
124.99980	20.8
143.01036	0.5
148.99124	0.2
176.53096	0.2
184.07310	100.0
185.07668	0.4
244.48244	0.2
258.10983	0.2
302.62360	0.2
412.20914	0.5
452.23593	0.5
534.31903	2.0
552.32794	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
56.05021	0.6
57.03423	0.3
58.06610	0.5
59.07375	0.2
60.08156	7.3
67.05493	0.6
69.07046	0.3
69.62289	0.7
69.62714	0.9
70.06593	0.3
71.07364	3.4
75.83768	0.2
79.05483	0.5
79.44275	0.2
81.03407	0.4
81.07047	0.8
83.04958	0.3
83.08551	0.2
85.02869	0.2
86.09695	33.5
91.05462	0.3
93.07042	0.6
95.04947	0.4
95.08589	0.5
97.06490	0.4
98.09714	0.2
98.98451	3.4
104.10735	10.0
105.06999	0.5
107.08543	0.3
109.10170	0.3
119.08546	0.4
121.10157	0.2
124.99989	23.4
127.03933	0.2
143.01091	0.4
149.02211	0.2
166.02576	0.2
184.07323	100.0
185.07674	0.7
233.38330	0.2
237.07268	0.2
258.11047	0.4
263.69916	0.2
273.02219	0.2
368.18411	0.2
452.24045	1.0
516.30365	0.3
534.32031	1.8
552.24829	0.3
552.32843	3.0
553.25793	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24343	0.5
54.48766	0.5
55.05495	1.2
56.05027	0.9
58.06609	1.4
60.08157	15.6
67.05492	3.1
69.03416	0.6
69.07069	1.3
69.36722	0.6
70.55482	2.3
71.07367	5.8
71.08614	0.6
71.59153	0.6
75.47681	0.6
79.05485	2.3
81.03418	1.6
81.07043	3.0
82.12141	0.6
83.04969	0.7
83.08610	0.7
86.09701	49.6
87.10069	0.6
91.05477	1.7
93.07027	2.3
95.04968	1.5
95.08588	1.7
97.02869	0.7
97.06542	0.9
98.98463	3.9
100.68874	0.6
104.10735	98.2
105.07022	0.8
105.11102	0.6
107.08572	1.0
109.10120	1.3
111.08047	0.7
119.08602	0.7
121.10139	0.7
124.99992	27.6
163.70755	0.6
184.07333	100.0
185.07663	0.6
258.10962	1.0
334.50253	0.6
434.22891	2.1
452.24030	9.9
516.30658	1.8
534.32013	10.9
535.31915	0.8
552.33008	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.9
55.01862	15.5
55.05499	13.3
57.03429	74.3
58.62091	6.5
61.02909	21.8
65.03937	6.8
67.05491	42.1
69.03414	23.1
69.07061	64.0
70.06586	15.1
71.04973	31.7
71.74690	12.7
73.02904	10.0
79.05474	100.0
81.03406	35.3
81.07056	48.1
83.04990	14.5
83.08591	14.9
85.02911	35.6
85.06548	8.5
86.09706	7.5
87.80344	5.9
88.18853	5.7
91.03886	6.3
91.05473	70.8
92.05770	7.0
93.07030	86.9
95.04951	27.8
95.08601	47.4
97.02888	25.1
97.06519	97.6
99.04454	8.8
99.08068	10.4
103.05453	10.1
105.07010	46.4
107.04948	20.9
107.08578	38.4
109.02852	12.5
109.06506	20.1
109.10130	11.1
111.08083	10.3
115.05437	9.3
115.07543	37.3
117.07005	29.4
119.04897	8.4
119.08552	28.0
121.06489	26.6
121.10130	40.0
123.08068	20.4
127.03900	21.7
129.05527	7.4
129.06981	40.9
131.08530	42.8
133.06493	13.6
133.10127	23.6
135.08015	20.2
135.11739	7.8
137.05962	42.0
137.09560	12.9
141.32887	6.3
143.08553	19.2
145.04919	9.9
145.06453	7.3
145.10133	21.1
147.08022	22.0
147.11694	8.0
149.09604	29.6
151.07510	12.1
155.08597	9.6
157.10115	15.2
159.08080	9.2
159.11624	7.0
161.09628	11.2
161.13237	10.2
163.07524	8.5
163.11156	10.7
165.09093	9.9
166.50375	6.9
167.07124	12.0
171.11668	29.6
173.09648	16.3
175.11166	16.1
177.09122	13.5
177.12675	8.8
185.09441	8.9
185.13145	6.7
189.12726	21.2
191.10654	8.3
199.14746	11.0
201.07678	7.1
205.12236	9.1
217.15820	11.9
222.11105	6.4
227.14310	19.3
241.14386	56.6
245.15314	51.1
263.16385	21.9
276.14597	8.0
283.10385	8.8
319.19119	25.9
325.10684	10.5
337.19980	37.2
339.13242	22.0
339.47226	7.8
355.21121	30.7
367.12619	8.3
372.15015	9.3
377.58487	7.6
416.20288	8.1
520.21008	12.1
552.23224	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
61.02917	1.1
61.50928	0.8
69.03408	2.3
71.41194	0.9
71.41550	1.4
81.03400	2.2
85.02898	15.2
87.04429	0.8
91.03960	0.9
91.05460	4.4
97.02884	3.8
105.07011	0.8
109.02878	4.2
117.20447	0.7
119.04926	10.2
123.08030	1.2
127.03912	3.1
137.05983	1.4
145.04964	6.1
147.04375	11.2
151.07529	6.0
155.03377	29.5
163.03882	3.4
163.05910	1.4
165.09077	1.5
170.05724	100.0
179.07014	15.7
181.04886	2.4
183.06538	2.6
196.07288	5.2
198.68321	0.7
211.09639	96.0
212.09995	0.9
239.77629	0.7
355.78177	0.7
389.04300	0.9
390.05130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	2.3
53.03939	5.4
55.01874	7.0
55.05506	27.4
57.03435	11.2
57.07064	3.1
57.38032	2.9
58.81407	2.2
62.54419	2.0
67.05499	47.5
69.03413	2.9
69.07064	27.2
71.04981	7.8
71.75968	3.5
72.64899	2.1
79.05020	2.9
79.05487	53.9
81.03416	17.7
81.07047	100.0
83.04992	6.1
83.08626	15.9
91.05471	38.9
93.07033	58.2
95.04964	10.7
95.08610	43.3
97.06521	13.6
97.10159	4.4
99.08090	5.0
105.07024	26.9
107.04948	3.5
107.08584	28.0
109.06504	5.7
109.10151	17.2
111.08058	5.8
115.07523	2.5
117.07002	12.4
119.08572	23.7
121.06523	9.1
121.10138	16.9
123.08038	6.7
123.11678	7.8
124.38099	2.3
125.09612	5.5
128.06238	3.5
129.07031	5.5
131.08548	19.6
133.10117	15.1
135.08063	15.3
135.11697	12.9
137.09607	8.4
139.07532	5.1
139.11134	3.7
141.06920	2.8
143.07027	3.0
143.08604	6.5
144.08888	2.6
145.08617	4.8
145.10115	12.6
147.08069	3.3
147.11705	11.5
149.09592	3.8
149.13272	6.3
151.11177	3.6
153.09132	5.9
157.08641	4.2
157.10083	7.2
159.11723	9.8
161.09633	3.1
161.13255	9.8
163.06361	2.8
163.07573	4.6
163.11266	2.9
165.09151	6.7
169.10120	2.7
171.11748	6.4
173.09557	3.0
173.13252	9.1
175.14903	3.4
181.08614	4.6
183.10176	3.1
183.11736	3.4
185.13278	4.9
187.14821	5.6
199.09619	8.3
201.11230	13.1
217.10733	7.9
229.14552	2.8
239.12682	3.0
247.40063	2.7
261.22083	9.5
273.13333	10.5
277.21463	5.0
287.20175	3.8
312.35428	2.7
317.24890	3.6
335.25940	12.1
405.27945	5.2
441.30142	3.2
459.31030	5.2
461.32574	8.7
489.42657	2.9
515.34009	14.8
533.34631	20.9
551.35840	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1028
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03938	1.6
54.34527	0.2
55.01863	1.8
56.46191	0.2
57.03413	0.8
60.08329	0.2
61.02922	0.9
68.99786	1.6
69.03425	7.1
70.06571	0.6
71.01309	0.2
71.04971	0.8
71.74646	0.2
72.08125	0.3
73.02917	1.6
73.79201	0.2
76.58469	0.2
81.03410	8.1
84.08113	0.3
85.02898	11.1
86.09708	0.3
86.56833	0.2
87.00819	5.4
91.03932	0.6
91.05482	0.2
93.03383	0.3
95.04958	0.5
97.02886	4.7
99.04453	2.5
101.02390	0.2
105.01861	3.1
109.02872	7.0
111.00784	0.9
115.03902	0.3
117.01837	1.1
121.02839	1.0
121.05582	0.2
123.04415	0.3
126.10239	0.2
127.03903	9.0
129.01837	0.7
135.04395	0.5
137.02335	2.8
137.05951	0.7
139.86618	0.2
145.04953	2.8
145.06163	0.3
147.02869	0.7
149.02357	0.4
153.01816	4.2
155.04819	0.3
159.02872	4.3
161.06004	0.4
163.03920	0.4
165.01843	2.2
166.02609	0.2
172.17963	0.2
173.05975	0.7
179.03407	0.2
183.02855	0.7
183.04353	0.3
191.07100	0.3
195.02879	0.3
201.05460	3.5
206.04549	0.2
213.03908	0.4
219.06557	0.5
223.32083	0.2
228.04010	0.2
229.04941	4.1
231.04932	1.0
247.05975	0.5
257.04407	2.6
274.04700	0.8
285.03915	1.2
303.04965	100.0
304.05310	1.3
345.05933	0.4
482.16580	0.2
503.17880	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.7
56.05026	1.6
58.06593	1.7
60.08160	20.4
67.05492	2.7
69.07060	2.4
71.07365	5.9
71.22856	0.8
71.75816	0.8
79.05500	1.2
81.07047	3.2
83.08601	2.6
86.09698	58.0
87.10076	1.1
91.05456	1.0
93.07024	1.6
95.08605	2.3
97.10145	1.3
98.98458	4.6
104.10732	97.0
107.08581	1.7
109.10159	1.0
119.08605	0.9
121.10101	0.9
124.99994	30.2
184.07329	100.0
190.49785	0.8
235.17516	0.8
243.32616	0.7
258.10959	1.1
328.69427	0.9
367.31949	1.4
532.37592	9.2
550.38660	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
56.05027	0.8
58.06585	0.4
60.08155	6.5
67.05482	1.1
69.07055	0.5
70.47017	0.6
70.47422	0.7
71.07367	3.3
79.05478	1.2
80.05798	0.3
81.03405	0.5
81.07040	1.1
86.09698	33.6
89.46450	0.3
91.05466	1.1
93.07039	0.9
95.04942	0.4
95.08570	0.5
97.06508	0.6
98.98454	3.3
104.10070	0.6
104.10736	6.4
105.07025	0.6
106.42843	0.3
107.08564	0.4
109.10141	0.4
115.05627	0.3
119.08601	0.7
119.99940	0.3
124.99989	21.1
131.08559	0.4
137.09622	0.3
178.12921	0.3
179.31187	0.3
184.07327	100.0
185.07686	0.4
232.99908	0.3
290.18579	0.3
416.54608	0.3
532.30444	0.9
550.31250	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	22.8
58.06578	3.5
61.01137	11.3
66.78957	0.8
70.06580	4.1
70.87337	2.2
74.06066	21.8
75.02703	0.8
80.04989	1.0
82.06567	25.6
83.06087	1.1
84.04499	6.5
86.06031	0.8
86.09692	14.9
88.03977	5.8
100.07591	2.6
101.07108	1.5
104.05312	22.4
110.06007	2.0
111.05528	1.9
112.03934	1.4
112.11256	1.7
114.31905	0.8
119.96529	0.8
124.06478	0.7
126.05487	8.6
127.08652	100.0
129.06557	3.3
130.05000	6.8
130.06825	2.6
132.10165	9.3
136.03941	1.4
138.05528	1.8
141.13876	1.4
142.72873	0.8
144.06531	20.6
153.06529	2.3
154.04970	2.8
155.08107	2.6
158.11736	1.8
169.13400	1.7
170.09253	1.1
171.07637	4.5
174.05818	1.5
175.08983	41.7
186.05884	1.8
187.14380	2.1
189.08675	18.4
197.12811	2.7
199.07144	3.9
201.06837	1.1
202.10118	1.2
203.08463	26.3
215.13919	3.6
217.08168	41.3
219.07948	1.1
233.14922	18.0
243.13297	2.0
243.15431	1.0
247.07451	7.0
257.05719	0.8
270.10825	1.1
271.14688	0.8
284.16022	3.9
288.11908	1.2
312.15396	3.0
313.13849	1.0
318.11130	18.0
319.11057	1.0
330.10907	1.5
330.12299	1.4
330.16519	20.8
348.12140	2.5
348.17575	5.9
373.15457	1.0
374.13638	2.8
391.16382	2.5
401.14999	4.7
419.15906	19.0
443.19604	1.2
461.20447	1.3
504.24261	1.2
532.24231	10.2
550.25342	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
53.29251	0.2
55.05496	0.3
59.18626	0.2
67.05495	3.8
69.03414	0.9
69.07066	0.2
69.41970	2.1
70.06582	0.2
71.04971	0.3
71.50742	0.2
78.81062	0.2
79.05486	0.5
81.03409	3.3
81.07047	1.9
83.04991	0.2
83.14971	0.2
85.02894	0.6
91.05453	0.6
93.07037	0.6
95.04957	0.9
95.08614	1.3
97.02898	1.0
99.04422	0.5
107.08585	0.6
109.02863	1.9
109.10145	8.1
119.08566	0.6
127.03870	1.0
132.04424	4.9
137.09599	17.9
138.09962	0.3
149.38867	0.2
155.10645	0.6
160.03947	0.2
165.09099	13.2
178.04971	50.8
179.05347	0.6
180.05350	0.2
183.10165	1.2
201.11145	1.0
206.04463	100.0
207.04832	1.0
286.04886	0.2
287.04993	0.5
301.07132	0.7
302.07465	1.5
309.13269	0.8
318.06848	0.3
327.14334	2.6
368.09460	0.2
406.07697	0.2
475.06802	0.2
550.19043	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
54.80202	3.6
55.01857	10.8
55.05505	32.2
56.03930	3.7
57.03139	4.7
57.03419	14.0
57.07070	6.2
57.52300	3.9
59.04988	3.9
59.25231	3.0
64.96534	3.6
65.50198	3.8
66.93561	3.8
67.05497	83.3
69.07063	25.2
71.04981	14.4
71.75092	4.3
71.75487	4.8
75.11992	3.6
79.05482	72.7
80.55212	3.5
81.03410	21.4
81.07043	100.0
83.04975	8.5
83.08575	18.9
85.06522	7.6
91.05462	59.3
93.07033	63.9
95.04941	21.7
95.08595	51.0
97.06514	16.7
97.10145	15.0
99.08081	5.1
105.07023	67.2
107.08584	51.9
109.06495	9.5
109.10127	27.5
111.08058	7.8
117.07016	22.0
119.08566	55.3
120.43822	4.0
121.06517	5.2
121.10138	43.9
123.08069	8.0
123.11701	12.7
125.09634	16.9
128.06119	4.6
129.06946	12.0
131.08553	42.8
133.10107	41.8
135.08026	8.6
135.11673	23.4
137.09599	11.2
141.06937	6.4
142.07748	7.5
143.08571	14.9
145.10118	36.2
147.07982	4.4
147.11653	25.2
149.09593	11.5
149.13242	6.6
153.09068	13.7
155.08553	7.4
156.09282	4.9
157.10112	22.8
159.11678	17.4
161.09607	6.5
161.13243	16.2
163.11284	5.0
167.08563	5.1
169.10135	11.0
171.11671	20.5
173.13251	16.2
175.11157	5.0
175.14861	4.6
181.10121	5.9
183.11684	13.5
185.13268	15.2
189.11192	12.0
193.10226	3.3
193.12225	9.5
193.40723	3.7
195.11655	6.1
197.13249	9.3
199.14799	5.6
209.13208	6.8
211.14853	5.3
215.17949	13.8
223.14841	5.5
227.12764	8.2
233.18932	10.4
241.19566	4.4
257.19037	4.5
267.15851	25.6
273.22031	11.1
275.19974	4.8
307.22687	15.7
389.28552	5.6
407.29135	13.5
425.30334	11.3
443.31613	7.2
481.33051	8.0
491.33945	4.7
499.34174	45.9
517.35144	41.6
531.37030	7.7
549.41205	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1236
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
50.18914	0.1
56.30447	0.1
56.96549	0.2
60.16321	0.1
67.05495	0.3
68.99773	0.1
69.03446	0.2
70.06570	0.3
71.04975	0.2
71.74654	0.2
72.08147	0.1
79.05489	0.2
81.03413	0.2
81.07065	0.2
84.08143	0.3
85.02893	0.4
86.09686	0.3
91.05481	0.2
95.04939	0.3
97.02859	0.2
97.06519	0.3
99.04415	0.1
105.07030	0.3
107.08562	0.2
108.27171	0.1
109.02856	0.3
123.11686	0.2
127.03951	0.2
129.10260	0.1
129.63939	0.1
135.07959	0.2
137.05972	0.4
145.10155	0.2
149.05960	0.3
151.03841	0.2
153.01860	0.6
171.02852	0.2
172.98778	0.1
206.04526	0.2
229.04948	0.7
247.37877	0.1
258.05212	14.0
259.05692	0.2
286.04688	35.1
287.05087	0.3
301.07028	100.0
302.07315	1.1
302.55917	0.2
306.63538	0.1
311.12766	0.2
313.13364	0.2
340.09949	0.2
357.16138	0.2
381.10370	0.2
400.12521	0.2
463.12448	1.5
531.11487	0.3
548.22247	0.2
549.12354	2.6
549.20734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.5
55.01868	4.3
55.05505	34.4
57.03422	8.4
57.07060	7.8
65.03927	4.9
67.05132	4.0
67.05495	78.8
69.03407	5.1
69.07059	25.7
70.34634	2.0
71.04964	5.2
71.08617	3.4
79.05490	36.2
81.03410	39.6
81.07048	70.3
83.04967	10.3
83.08612	24.3
85.02881	13.8
85.06533	3.1
85.68749	2.0
87.89751	2.2
90.66048	1.9
91.05465	35.2
93.07036	35.3
95.04955	27.4
95.08601	46.0
96.07206	2.4
97.06537	7.5
97.10172	12.7
99.08073	2.3
102.33141	2.3
105.07022	28.9
107.04963	6.9
107.08576	23.3
109.06506	6.5
109.10140	20.7
111.08081	6.9
117.07031	6.2
119.08559	28.3
121.06457	3.6
121.10123	16.2
123.04431	4.3
123.08078	5.8
123.11710	9.9
125.09637	6.8
127.24961	2.3
129.07010	5.9
131.08542	16.0
133.10100	19.5
135.08012	3.2
135.11700	6.2
137.09598	4.0
137.13231	3.3
142.07770	2.7
143.08568	5.0
145.10117	9.2
147.08058	3.8
147.11650	15.1
149.09641	5.4
149.13289	4.3
151.11168	3.1
157.10129	10.5
159.11684	3.3
161.13194	4.8
163.11221	5.2
163.14880	3.6
171.11722	3.2
173.13365	3.2
175.11147	6.0
175.14842	3.5
181.12303	2.5
183.11768	2.6
193.12239	30.4
211.13268	32.3
211.15062	2.6
227.12823	3.7
235.13420	2.1
245.22607	2.5
263.23785	6.9
264.44482	2.2
267.15976	8.9
303.26825	3.6
318.81024	2.1
337.27460	8.9
455.35297	6.7
473.36142	4.2
529.39178	19.8
547.39655	100.0
548.39716	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15296	3.3
53.03943	10.3
54.43567	3.2
54.59649	3.3
55.01619	2.8
55.01865	14.9
55.05504	30.9
57.03427	13.2
59.04989	4.6
60.18705	3.0
62.00031	3.2
65.03931	4.6
67.05498	94.1
69.03424	8.6
69.07063	60.8
71.04977	14.8
71.35821	6.9
79.05483	81.7
81.03410	14.2
81.07043	94.0
83.04970	9.2
83.08611	13.7
83.17853	2.9
85.02901	4.1
87.17956	3.1
91.05470	87.6
92.05840	4.1
93.07035	100.0
95.04962	26.6
95.08599	80.2
97.02848	6.8
97.06514	23.7
97.10165	8.5
99.08080	8.0
105.07024	54.4
107.04967	16.6
107.08585	35.6
107.28268	3.7
109.06538	16.0
109.10152	29.3
111.08060	11.6
115.05476	7.6
117.07001	35.9
119.08574	49.1
121.06485	11.8
121.10120	33.3
123.08073	14.0
125.05962	4.6
125.09612	7.2
128.09813	3.2
129.06985	27.4
130.07692	4.5
131.08546	50.7
132.41693	3.1
133.06448	5.9
133.10114	32.6
135.08046	11.4
135.11691	15.7
137.09622	12.9
141.06932	6.7
142.07741	5.7
143.07076	19.0
143.08546	23.9
145.06438	4.4
145.10120	33.1
147.08031	10.4
147.11667	20.4
149.09592	24.0
151.11214	8.8
153.09061	6.3
155.08578	18.7
157.10143	21.4
158.07191	4.0
159.08069	8.0
159.11707	23.8
161.09616	7.0
161.13232	6.4
163.07556	3.9
165.09132	5.5
165.12680	3.9
167.08539	5.2
169.10051	19.9
171.11563	25.2
173.09621	10.8
173.13205	17.5
175.11198	12.8
175.14838	4.2
177.12727	5.0
181.10150	8.5
183.11647	16.4
185.13187	16.6
187.11166	7.5
187.14731	9.4
189.12703	4.3
191.14204	3.7
193.09935	3.7
195.11722	9.5
197.13281	13.8
199.09633	12.1
199.14847	7.4
201.12831	6.5
205.12282	3.8
207.11723	7.1
209.13318	6.1
211.14864	9.4
213.16426	4.6
215.14349	3.9
221.13310	5.3
223.14957	5.5
227.14531	3.7
229.16039	4.2
231.17534	4.9
235.14757	3.5
239.17902	4.1
247.17032	6.5
252.23003	3.4
255.12207	4.9
257.18982	5.0
271.20596	5.6
273.18576	4.6
275.20041	14.4
279.21664	3.9
283.20483	4.5
285.22076	11.2
291.19568	10.9
297.22144	4.0
299.23801	5.3
301.21475	3.4
315.23190	4.6
325.21750	6.0
387.26715	9.8
393.22711	6.3
399.25351	8.1
404.66730	3.4
405.27722	25.8
406.30109	3.4
423.28815	10.3
471.30975	6.4
479.31601	7.2
486.27051	3.7
489.32028	26.6
497.32574	49.9
515.33685	57.6
529.36084	20.4
547.36951	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.0
55.05494	3.0
57.03422	3.2
60.31635	1.1
65.03914	2.1
67.05497	16.5
69.03450	2.4
69.07063	9.9
69.58902	2.3
69.59305	7.5
75.07354	1.0
79.05480	14.6
81.03403	3.1
81.07043	3.4
83.04963	7.2
85.02878	1.1
91.05452	2.8
93.03340	1.4
93.07010	2.8
95.04955	20.5
97.02828	1.0
97.06517	100.0
98.06851	1.3
98.21474	1.5
105.07018	2.6
107.08600	1.7
109.06475	1.8
109.10144	2.2
111.04424	4.4
115.05407	1.0
117.06998	2.4
119.08555	1.6
121.06441	1.0
123.04443	1.3
128.06207	1.4
129.05437	1.2
129.06937	1.8
131.08559	1.5
133.10033	1.4
139.03867	1.1
141.06993	2.8
143.08536	2.3
145.10045	1.3
149.09596	1.0
152.06273	0.9
155.08623	1.3
157.06454	2.0
159.08014	1.9
161.05937	7.4
161.09554	1.0
163.03867	4.0
163.07494	1.6
165.05521	1.2
167.08495	5.3
169.06503	2.2
169.10117	1.8
171.08040	2.6
173.05978	4.1
174.06752	5.8
175.07523	4.6
183.08034	2.9
185.05974	1.9
185.09589	3.6
186.06744	2.2
187.07501	4.9
189.09058	10.7
195.08040	7.7
197.06007	2.2
197.09639	1.6
199.07539	8.7
199.11197	1.3
201.05438	1.0
201.09050	1.0
203.06953	1.4
203.10596	1.1
209.09633	4.3
211.07504	4.4
212.08337	2.7
213.05630	1.1
213.09067	14.3
214.06186	3.1
215.06886	4.8
215.10582	2.3
216.07712	1.2
217.08676	2.2
223.07574	3.1
226.06247	1.1
227.07066	1.5
227.10672	1.7
229.08514	2.3
231.10106	6.9
237.09082	1.6
237.12650	1.1
239.07079	1.0
241.08627	9.7
241.12170	8.5
243.06462	1.7
255.10103	4.9
257.08084	2.8
257.11746	2.5
258.08774	2.4
259.09601	13.3
265.12277	2.5
267.13681	1.8
269.08029	2.9
269.11401	1.2
271.13217	1.4
283.13266	4.6
285.14810	4.2
287.09198	1.6
287.12543	1.3
291.13867	1.9
295.13220	1.4
299.12689	3.6
301.14560	1.0
305.10239	1.5
309.11560	1.9
309.14853	17.6
311.12762	30.7
311.16254	2.7
313.14352	9.4
327.15878	12.8
329.13818	2.3
337.14279	10.0
345.16711	1.2
355.15347	81.7
356.15765	2.7
373.16461	14.6
397.11761	1.4
425.12515	1.2
515.25562	1.1
529.20343	3.4
529.31140	1.0
547.21729	23.3
547.30701	1.3
547.33014	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48528	0.3
55.01852	0.5
56.05024	0.3
58.51023	0.3
60.04502	0.4
61.01129	0.8
62.81523	0.3
65.03925	0.9
68.56010	0.3
68.75753	0.3
70.06567	1.3
71.74347	0.5
71.74722	0.3
72.04487	1.9
72.08134	1.0
74.06075	0.4
78.03780	1.9
81.03398	0.7
84.04475	0.4
84.08121	0.8
85.06484	0.5
86.06033	0.4
86.09683	1.4
88.02198	1.2
88.39880	0.3
91.05460	6.8
92.01118	0.3
95.04910	0.3
98.06025	0.4
99.05544	0.4
102.03758	2.4
102.05523	0.6
113.05930	0.5
114.03710	1.4
119.04926	18.4
121.06477	0.6
123.00723	0.8
124.07551	0.5
129.10197	0.5
130.03154	0.4
130.04865	0.5
130.08633	0.5
131.06363	1.3
132.04768	2.3
134.06009	0.5
141.01823	0.5
141.06517	0.6
142.08609	1.5
147.04384	100.0
148.04758	0.9
149.07411	12.2
159.05875	0.6
163.03888	3.1
169.01276	1.1
175.05408	0.9
184.09700	1.1
192.65338	0.4
202.44652	0.3
206.06290	0.4
218.08104	13.1
243.11862	0.5
261.12634	5.1
277.10114	0.6
295.11072	22.4
379.91895	0.3
385.15405	0.4
407.16251	4.0
416.13058	17.9
451.67090	0.3
528.18262	6.2
546.20184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.4
55.01855	0.3
61.89249	0.3
63.02357	0.4
65.78760	0.3
68.99788	0.6
69.03410	0.4
69.69518	1.3
69.69947	1.1
70.06590	1.2
71.18535	0.3
72.08141	0.4
74.86749	0.3
79.05479	1.1
81.03387	0.5
81.07043	0.4
84.08117	0.7
85.02873	0.9
86.09689	1.0
89.03901	6.5
95.01308	2.8
95.04963	0.5
97.02904	0.5
98.21506	0.6
99.00797	0.3
107.04936	2.1
117.03364	7.1
120.08109	0.4
122.63181	0.3
123.00777	28.8
135.04396	17.8
141.01805	13.1
145.02835	12.3
145.03801	0.4
147.94106	0.3
157.79007	0.3
158.06010	0.3
163.03882	100.0
164.04237	1.1
169.01303	52.5
170.01625	0.6
181.04944	2.4
229.04694	0.3
255.27412	0.3
285.03925	0.9
331.04230	0.7
349.05505	10.6
464.10980	0.3
504.71259	0.3
505.10074	0.3
512.06781	0.4
562.21265	0.3
572.55615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.4
55.01859	7.2
55.05500	37.9
57.03411	7.3
57.07061	2.9
59.04986	2.7
59.64677	1.8
65.03923	2.3
67.05495	69.9
69.03418	5.0
69.07056	20.3
69.61951	5.3
69.62373	7.1
71.04984	4.1
71.08604	1.9
72.32710	1.6
79.05480	38.2
81.03400	25.6
81.07043	67.0
83.04974	5.8
83.08609	23.2
91.05469	36.4
93.07027	44.3
95.04956	23.9
95.08593	42.8
97.06493	8.0
97.10150	23.1
98.20616	3.2
99.08052	1.6
101.38423	1.4
103.05406	1.5
105.07013	35.3
107.04954	7.4
107.08582	29.3
109.06517	7.4
109.10140	26.7
111.08072	6.9
115.05434	2.2
117.06995	14.1
119.08550	30.2
121.06502	9.3
121.10114	21.2
123.08059	5.7
123.11695	7.8
125.09605	17.7
129.06979	7.8
131.08549	27.1
133.06487	2.4
133.10107	21.6
135.08057	7.2
135.11652	14.2
137.09608	4.2
142.07788	2.0
143.08539	9.8
145.06461	4.3
145.10121	23.4
147.08051	5.5
147.11678	15.0
149.09631	5.5
149.13261	7.2
151.11179	2.4
153.09113	2.1
153.12729	2.5
155.08543	3.9
157.10118	11.4
159.08092	2.6
159.11664	14.6
159.71716	1.7
161.09538	2.9
161.13257	6.9
163.11259	3.9
163.14819	2.5
165.12680	2.4
168.75958	1.9
169.10114	4.5
171.10368	1.7
171.11681	8.6
173.09576	2.1
173.11882	2.0
173.13229	8.2
175.11220	4.3
175.14818	3.5
177.12688	2.3
181.10077	2.1
183.11664	3.4
185.13275	7.5
187.14850	4.6
189.11162	12.2
189.12650	1.9
193.12201	10.5
195.11728	3.0
197.13284	3.1
199.14902	2.7
211.13142	3.2
227.12724	17.5
243.20978	3.9
247.16956	3.5
261.18665	1.5
261.22049	10.2
267.15897	21.5
279.19965	1.7
279.23212	2.0
285.22055	3.9
287.19989	2.5
299.23767	3.5
301.25192	21.4
303.23328	3.4
317.24857	3.8
325.21530	2.1
327.23093	2.0
335.25800	17.5
355.26340	1.8
359.25836	3.2
363.45786	2.0
403.24728	3.4
417.25983	2.1
417.31561	2.7
421.25897	3.0
435.27325	3.7
435.32541	11.2
449.28909	2.4
453.33566	17.8
461.29718	1.8
471.34589	11.4
475.30295	1.9
509.36447	3.3
527.37219	63.1
528.37903	2.0
545.38373	100.0
546.38782	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01854	4.2
55.05504	23.7
57.03431	8.1
57.07058	3.1
65.03936	2.3
67.05495	56.9
68.27832	1.4
69.03419	4.1
69.07056	14.5
71.04977	5.3
73.01483	1.3
79.05482	40.5
81.03406	26.6
81.07046	51.2
83.04967	9.0
83.08602	18.1
85.02888	6.5
85.06525	3.4
85.11430	1.2
85.83444	1.3
89.17795	1.5
91.04913	2.3
91.05466	36.9
93.07030	39.9
95.04955	18.0
95.08591	31.9
97.06517	4.1
97.10161	14.3
98.97258	1.5
99.08059	1.4
105.07016	31.6
107.04937	5.3
107.08572	25.3
109.06516	4.3
109.10146	18.6
111.04449	2.1
111.08080	7.9
115.05428	2.6
117.07009	11.4
119.04985	1.4
119.08569	21.6
121.06505	4.9
121.10113	18.8
123.08044	5.5
123.11709	6.1
125.09589	11.4
128.06168	2.2
129.06981	9.9
131.08551	20.2
133.06430	3.2
133.10092	19.0
135.08022	3.9
135.11665	10.0
137.09607	2.9
141.06961	2.5
142.07808	2.2
143.08545	7.0
145.06467	1.5
145.10114	15.1
147.08003	3.5
147.11642	10.6
149.09596	2.9
149.13232	5.8
151.11105	2.2
155.08571	2.4
157.10129	9.8
159.08047	2.6
159.11703	10.4
161.09607	2.6
161.13275	7.3
165.12782	2.0
169.10063	4.2
171.11761	3.1
173.09587	2.4
173.13252	8.0
175.11201	6.2
175.14807	2.9
183.11681	3.9
185.13319	4.5
187.14838	4.0
189.11253	9.1
193.12207	20.1
195.11755	2.5
197.13237	3.0
199.14836	3.0
205.16095	1.5
209.13051	1.9
211.13216	19.7
213.16487	1.9
227.12704	8.8
243.21089	2.8
247.16983	2.9
249.14835	1.6
261.22052	9.0
267.15823	14.1
275.20230	1.7
279.23172	1.7
285.22232	2.6
301.25192	15.9
303.23184	3.9
317.24820	2.4
335.25656	11.2
357.27747	2.4
417.31674	2.6
421.25833	3.3
435.27805	3.0
435.32599	6.2
453.33563	11.0
471.34500	9.5
527.37225	40.2
545.38324	100.0
546.38580	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.9
53.03936	5.7
55.01854	3.8
55.05504	31.3
57.03428	11.7
57.07056	3.9
59.04971	0.9
65.03924	5.2
65.39658	0.8
67.05495	77.4
69.03424	5.0
69.07055	21.1
70.18773	3.0
70.19180	1.8
71.04985	7.0
77.03909	1.2
79.04800	1.3
79.05482	76.1
81.03405	52.2
81.07044	78.6
81.49525	0.9
83.04970	12.7
83.08604	28.3
83.36797	0.8
85.02888	24.1
85.06517	2.7
91.05467	63.5
93.07030	70.6
95.04957	31.6
95.08592	46.6
96.38011	0.9
96.91351	0.9
97.02883	2.4
97.06522	6.1
97.10157	8.8
99.08088	3.3
101.78162	1.0
103.05452	1.2
105.04527	1.6
105.07013	44.4
106.07329	1.0
107.04961	5.9
107.08580	34.4
109.06512	6.2
109.10139	18.0
111.04439	2.7
111.08064	11.9
113.06004	2.5
115.05453	1.8
116.06274	1.1
117.06994	11.8
119.08566	35.3
121.06516	3.3
121.10130	31.1
123.08056	3.5
123.11688	5.6
125.09624	6.7
128.06169	2.0
129.06985	13.2
131.08545	24.0
133.06458	3.3
133.10114	20.1
135.08028	2.7
135.11671	15.3
137.09621	3.5
137.13219	1.4
141.06982	2.0
142.07744	2.3
143.08578	4.5
145.10120	14.4
147.08061	3.3
147.11667	20.1
149.09552	6.1
149.13225	7.6
151.11212	1.3
153.93616	1.1
155.08502	2.3
157.10103	15.8
159.11687	8.0
161.09663	1.4
161.13217	5.8
163.11169	2.5
163.14854	2.6
165.12743	3.5
169.10124	3.1
171.11705	4.1
173.13217	7.0
175.11182	13.4
175.14836	2.6
181.10173	1.0
183.11716	1.8
185.13257	3.3
187.14818	3.8
189.11212	2.8
193.12216	49.9
195.11688	1.6
197.13229	1.8
199.14905	1.1
201.16414	3.0
205.12251	1.0
211.13257	47.7
212.13567	0.9
227.12820	4.0
233.15324	1.0
243.21086	2.5
247.16980	1.5
250.84216	1.0
259.20343	1.8
261.22116	8.1
267.15915	8.0
285.22101	2.4
288.90143	1.1
299.23584	1.3
301.25195	6.2
317.24759	2.3
333.24200	0.9
335.25903	4.9
359.25769	1.1
417.31470	2.2
419.87234	0.9
421.25803	1.1
435.32489	3.5
436.37634	1.0
453.33856	7.2
471.34796	2.9
509.36359	1.3
527.37189	22.1
545.38318	100.0
546.38873	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.0
55.01870	3.8
55.05506	32.6
55.05761	3.4
57.03424	7.1
57.07055	1.6
65.03957	1.8
67.05496	64.5
69.03408	5.3
69.07057	15.4
70.11886	5.0
70.12297	2.8
70.12495	1.4
71.04979	3.2
75.61824	1.3
76.92776	1.5
79.05479	40.3
79.05920	2.8
81.03408	20.4
81.07046	58.7
83.04966	7.6
83.08604	20.6
85.06500	2.0
89.51911	1.4
91.05468	34.6
93.07031	44.4
95.04956	19.4
95.08595	41.0
97.06514	5.0
97.10158	18.5
105.07011	31.2
107.04939	4.9
107.08574	26.1
109.06492	6.1
109.10149	24.6
111.08076	4.8
116.26536	2.1
117.06996	11.6
119.08566	24.8
121.06499	8.0
121.10117	16.6
123.08051	4.3
123.11710	9.8
125.09624	15.0
129.06952	7.3
129.32486	1.5
131.08557	22.5
133.06407	3.1
133.10104	22.4
135.08067	5.7
135.11674	12.4
137.09583	2.9
137.13254	1.6
141.07002	1.8
143.08539	8.5
145.06509	2.6
145.10107	17.1
147.08113	2.3
147.11700	15.1
149.09622	4.4
149.13257	6.8
151.11200	3.0
155.08556	3.7
157.06406	1.6
157.10097	10.3
159.07971	1.9
159.11682	15.1
161.09607	3.1
161.13217	9.3
163.11211	5.8
163.14864	2.3
165.12738	2.7
167.08553	2.2
169.01915	1.5
169.10112	3.9
171.11606	8.6
173.09717	2.6
173.13242	11.1
175.11174	3.5
175.14906	3.4
177.12775	2.1
181.10100	1.9
181.12236	1.6
183.11746	4.7
185.13229	6.6
187.14850	4.8
189.11221	10.2
189.12706	2.4
189.16365	2.7
193.12172	9.3
197.13274	2.8
199.14847	2.1
211.13167	1.9
211.14961	1.7
215.18011	1.7
227.12715	15.1
233.15254	2.6
243.21030	2.5
247.16693	2.5
261.22156	10.2
267.15863	21.5
275.20160	1.8
277.21716	2.8
279.23264	2.0
283.24231	2.3
285.22122	3.4
287.20132	3.4
289.21558	2.3
295.22702	1.7
301.21933	3.2
301.25201	22.7
303.23203	2.6
317.24951	4.7
329.21259	1.8
335.25916	14.4
343.22629	1.6
357.27576	2.5
359.25775	2.7
415.29376	1.6
421.25867	3.9
435.27402	3.4
435.32642	8.4
453.33508	17.1
471.34659	12.8
481.96738	1.5
509.36124	4.9
527.37280	51.8
528.37299	1.9
545.38354	100.0
546.38892	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39806	1.9
55.01860	3.3
59.06149	2.5
61.02908	3.4
69.03408	7.0
70.06591	10.7
71.47787	3.8
72.08121	2.5
73.02903	3.0
81.03379	3.4
84.08118	3.2
85.02899	22.7
86.09687	9.0
87.99707	2.4
95.01331	5.0
97.02869	7.1
102.05533	2.1
113.02348	8.8
117.07013	4.1
118.06530	37.8
118.07377	3.2
129.06967	3.2
129.10234	6.0
130.06522	90.6
132.08034	5.3
132.09061	2.0
142.06480	2.4
143.07330	4.2
144.08078	73.4
145.04904	2.4
147.07571	2.6
154.06506	13.6
155.07260	7.7
156.08049	12.9
158.06013	12.8
160.07570	10.3
168.08055	6.2
170.05954	2.4
172.07570	76.1
184.07585	13.2
186.05463	9.7
186.09085	2.8
190.08617	100.0
191.09027	2.2
193.04941	2.3
194.05997	2.6
196.07565	6.3
198.05540	6.5
200.07086	2.5
212.06987	10.4
214.08536	4.4
224.06992	7.5
236.07182	2.9
242.08159	5.1
254.08029	5.9
260.09155	12.7
272.09180	9.9
284.09201	2.5
286.07260	3.5
300.08319	2.1
302.10074	12.5
302.16998	2.3
303.04886	6.4
304.08212	3.3
312.08551	2.8
320.11255	23.8
330.09729	18.9
348.10794	63.7
366.11597	10.9
545.16016	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
54.88647	1.1
55.01870	6.9
55.05502	21.9
57.03443	7.6
57.07048	1.5
58.74988	1.2
61.02911	1.3
65.03929	1.9
67.05128	1.9
67.05497	37.6
69.03432	3.6
69.07066	13.6
71.04984	3.0
79.05483	30.2
80.05810	1.2
81.03411	8.2
81.07050	30.5
83.04979	3.2
83.08599	11.0
85.02887	1.3
85.06547	2.9
90.73573	1.1
91.05466	31.2
92.05837	1.5
93.07034	26.3
93.07577	2.1
94.88501	1.3
95.04964	16.2
95.08596	20.4
97.02850	1.6
97.06543	5.3
97.10163	9.9
99.08067	2.0
103.05405	1.0
105.07018	24.6
107.04947	6.1
107.08576	16.0
109.06519	7.5
109.10139	11.0
111.08098	3.2
113.05992	7.0
115.05471	2.4
116.06253	1.0
117.07011	15.5
119.08572	18.0
121.06527	3.6
121.10133	9.1
123.08083	3.8
123.11706	2.1
125.09599	6.8
128.06241	2.6
129.06992	10.4
130.07727	1.4
131.08543	20.3
133.06529	3.8
133.10118	13.6
135.08076	6.0
135.11725	5.0
137.09627	1.1
141.06992	4.0
142.07793	3.4
143.08530	13.0
143.09447	1.1
145.06494	3.8
145.10104	17.4
147.08069	3.7
147.11682	8.2
149.09622	3.8
149.13303	3.3
150.10013	1.4
153.06940	1.8
153.09134	1.2
155.08580	8.7
157.10115	11.2
159.08070	4.6
159.11664	11.9
161.09608	5.5
161.13257	2.7
163.11244	3.5
165.07034	1.6
167.08615	3.2
169.10133	7.6
171.08009	2.0
171.11642	9.1
173.09625	2.9
173.13264	4.2
175.11241	2.5
175.14819	1.5
177.12802	1.4
181.10156	3.7
183.11777	4.3
185.09698	3.2
185.13280	6.1
187.11247	3.5
187.14819	2.8
189.11244	2.8
189.12766	1.9
193.10085	1.6
193.12148	1.7
195.11716	3.5
197.09721	1.4
197.11615	1.2
197.13327	4.4
199.11188	2.3
199.14841	2.9
204.63036	1.2
209.13200	2.2
211.14905	2.9
217.15881	1.8
220.05687	1.1
221.13370	1.7
223.15015	2.1
225.16460	1.2
227.12746	2.3
233.15491	1.7
237.16505	1.4
239.18169	1.7
239.52711	1.1
245.15434	1.1
247.16971	1.7
257.19043	1.6
259.20633	3.5
267.15842	2.7
271.16638	1.3
273.18600	4.4
275.20145	3.9
281.17770	1.6
291.19620	3.5
297.22180	1.6
299.20587	1.5
299.23697	6.3
301.21829	1.7
325.21454	1.9
339.23148	1.7
357.24353	1.7
405.31747	1.7
415.30225	1.6
423.32480	1.5
433.31250	6.1
439.18906	1.5
451.31900	10.5
469.33206	6.5
487.34201	1.9
525.35901	20.1
543.36908	100.0
544.37384	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.8
53.03932	3.4
55.01846	2.8
55.05503	15.0
57.03405	2.2
57.07045	1.7
61.99257	0.8
64.62206	0.8
65.03918	1.7
67.05499	36.7
69.03401	1.6
69.06729	0.8
69.07056	10.2
69.57496	4.7
69.57906	1.6
71.04964	2.2
73.02895	1.3
74.45274	0.7
77.03899	0.9
79.05486	48.1
80.90472	0.8
81.03382	2.3
81.07046	37.1
83.04971	3.6
83.08623	8.4
85.06513	1.0
91.04922	1.2
91.05475	24.7
93.07034	59.5
95.04952	8.8
95.08598	43.5
97.02884	3.4
97.06538	4.2
97.10143	2.6
99.04460	3.4
103.05478	1.5
105.04504	1.4
105.07018	18.6
107.04945	6.1
107.08580	33.4
109.06471	2.0
109.10150	10.1
111.04431	1.1
111.08082	1.9
115.05444	1.3
117.06283	0.9
117.07014	13.0
119.08565	13.7
121.06477	6.5
121.10137	21.0
123.08015	1.4
123.11671	2.0
124.15006	0.7
125.05960	3.1
125.09622	0.9
127.07532	0.9
129.06950	1.4
130.07736	3.3
131.08545	9.5
133.10126	6.8
135.08022	2.2
135.11681	43.4
139.07529	1.5
139.11180	0.9
143.08537	2.2
145.06458	0.7
145.10110	27.9
147.11638	2.4
149.09578	1.2
149.13213	3.0
157.10103	1.1
159.11700	3.5
161.13234	2.0
163.11168	52.5
163.14839	1.2
171.11671	1.1
173.09636	0.9
173.13257	3.1
175.14810	1.4
181.12201	12.7
185.13272	0.9
187.14772	1.8
189.64264	0.7
209.11765	2.2
227.12758	100.0
228.13092	1.1
243.20969	1.6
261.22089	6.1
275.20093	1.5
283.15363	0.8
299.23575	1.3
317.24710	1.1
433.31021	1.0
525.35724	3.1
543.36743	52.9
544.37396	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
55.01873	6.1
55.05504	18.5
57.03420	4.3
57.07070	2.6
65.03918	3.1
65.33748	0.9
67.05498	45.3
68.24375	1.2
69.03407	1.4
69.07063	16.7
70.70512	3.0
71.04975	4.1
71.08610	3.2
73.02908	1.3
79.05486	50.0
81.03407	8.1
81.07047	46.8
83.04969	4.3
83.08612	9.2
85.03681	1.1
91.05467	33.3
93.07034	63.6
95.04951	12.9
95.08597	47.5
95.64803	1.2
97.02879	3.3
97.06523	4.9
97.10159	3.3
98.20612	1.0
99.04440	2.2
99.08103	1.4
105.07018	21.4
107.04944	10.6
107.08584	36.4
109.06533	3.8
109.10140	10.2
111.04440	1.6
111.08062	3.4
117.07005	19.3
119.08563	20.9
121.06477	5.8
121.10136	25.6
123.08005	1.6
123.11714	1.8
125.05997	2.7
125.09583	1.0
129.06982	4.2
130.07747	1.4
131.08536	11.7
133.06471	1.2
133.10118	11.3
135.08028	4.2
135.11682	50.5
139.07506	2.0
142.07748	1.3
143.08548	4.2
145.10120	30.0
147.08095	1.4
147.11681	5.0
149.09601	1.9
149.13254	4.4
151.11171	1.4
155.08531	1.8
157.10135	3.7
159.11601	6.1
161.13232	3.1
163.11171	57.5
163.14803	1.3
171.11728	2.2
173.09618	2.3
173.13246	4.8
175.11171	1.6
175.14783	1.3
179.14305	3.4
181.10201	1.1
181.10745	1.4
181.12222	11.1
183.11714	1.3
189.12877	1.0
193.12192	1.7
195.11681	1.5
207.99854	1.0
209.11688	2.9
211.14716	1.4
225.12570	1.1
227.12756	100.0
243.21039	1.8
261.22122	5.6
275.20084	1.9
277.21680	3.2
317.24753	2.5
433.31033	1.4
451.32071	1.7
469.33020	1.5
525.36273	5.3
543.36792	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.8
55.01862	4.4
55.05512	9.4
56.05014	3.2
57.03419	2.3
57.07047	1.4
58.99580	7.4
65.45479	1.1
67.05499	24.1
69.03416	2.8
69.07057	13.2
70.06590	1.8
71.04986	1.2
71.07462	2.6
76.02217	15.2
79.05489	17.3
81.03418	3.1
81.07050	24.3
82.80431	1.1
83.04967	8.4
83.08594	4.9
84.04497	66.2
84.08137	1.1
85.02888	1.5
85.06544	1.7
86.99018	3.7
91.05474	18.1
93.07036	21.2
94.07381	1.5
95.04961	6.9
95.08604	15.4
97.02908	1.4
97.06506	6.8
97.10146	2.1
97.35926	1.1
102.05520	4.2
105.00080	6.8
105.07027	20.1
107.04944	7.5
107.08592	15.0
107.09257	2.4
109.06525	10.2
109.10143	9.3
111.08078	1.7
117.07005	7.2
119.08566	13.6
121.06512	8.0
121.10112	9.3
122.02713	68.8
123.08043	4.7
123.11696	2.5
129.06934	2.3
130.04985	23.8
131.08537	13.1
133.06494	2.1
133.10114	16.3
135.08034	5.1
135.11679	5.2
137.09544	1.9
142.03250	10.1
143.08545	3.0
144.04794	2.1
145.10110	10.1
147.08034	4.1
147.11676	10.7
149.09593	4.8
149.13303	2.5
151.11154	3.6
155.08572	2.0
157.10097	4.7
159.11693	8.1
161.09627	4.6
161.13268	3.4
163.11151	6.7
169.10081	2.0
171.11650	3.3
173.09595	2.1
173.13246	6.2
175.11183	2.8
177.12657	1.5
183.11690	2.6
187.14833	1.5
188.03709	11.6
190.05360	1.5
191.14288	3.2
201.12646	2.2
207.13756	6.0
213.16309	1.5
215.17931	1.7
219.13789	2.9
227.40233	1.3
229.19539	3.5
233.05917	5.2
233.15480	1.4
234.04259	14.8
239.17960	3.3
247.20470	1.3
251.06953	80.2
257.18976	11.5
273.18484	2.9
275.20035	100.0
276.20456	2.1
293.21085	68.3
294.21451	1.7
299.05362	2.0
311.05408	1.6
319.13327	2.1
368.22455	1.8
376.24658	1.4
395.11295	3.0
395.98508	1.2
411.10526	1.9
413.12445	1.2
425.12527	6.4
507.12659	1.8
525.13660	4.7
525.26428	2.7
543.27313	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
63.44786	0.8
69.37034	0.8
71.03748	1.1
71.04073	1.7
94.39728	1.1
163.49483	0.9
222.27032	1.1
272.13922	1.0
381.07953	23.5
543.13214	100.0
544.13727	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
53.59581	0.6
54.24462	0.6
55.05509	3.7
57.07071	36.4
67.05508	3.9
69.07044	2.1
70.28799	2.1
70.29221	1.1
71.08624	26.2
71.09015	1.5
73.06546	8.2
78.59464	0.6
79.05452	3.6
81.03414	0.6
81.07057	3.7
83.08629	3.8
85.10174	23.0
87.04466	6.0
89.06023	100.0
91.05475	3.1
91.07590	0.9
93.07027	3.3
95.04967	1.3
95.08598	2.2
97.10152	3.9
99.11718	4.4
105.07030	3.4
107.07060	4.5
107.08595	1.5
109.10155	0.9
111.11710	1.0
113.13245	1.5
117.07015	1.8
117.09114	5.9
119.08526	1.4
121.10140	1.4
130.08604	3.4
131.07033	1.4
131.08536	1.2
133.08597	54.6
145.10153	0.7
147.11765	0.8
151.09619	0.7
155.17946	4.1
161.11722	1.4
165.18648	0.7
175.09578	0.7
177.11195	19.8
199.20523	4.5
221.13853	2.9
239.14931	1.8
240.23190	1.4
243.23174	9.3
243.79405	0.6
283.17554	1.4
287.25809	4.7
327.20203	1.8
371.22552	4.3
376.15469	0.7
402.14093	0.7
481.37592	0.9
497.98718	0.8
525.40063	7.7
542.39545	4.5
543.37292	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.6
56.05032	1.4
57.03415	0.8
59.78011	0.8
67.05495	1.7
69.03415	1.4
70.06588	12.1
70.31872	1.7
70.32279	1.7
72.08145	2.6
79.05479	1.6
81.03406	1.6
81.07043	1.3
84.04483	3.2
84.08128	7.0
84.71723	0.7
85.02894	5.4
85.03780	0.6
85.06466	0.7
86.09691	9.8
91.05473	2.4
93.07030	0.8
94.04158	2.1
95.04935	1.1
95.08602	1.1
97.02874	2.0
99.04466	0.9
102.05551	1.7
103.05454	7.1
105.07006	3.1
107.04952	1.1
109.02870	1.4
109.06552	1.1
109.10157	4.8
117.06978	1.1
121.06499	4.7
122.03629	5.2
123.00716	1.0
123.08041	1.1
127.03900	1.7
129.10204	4.4
131.04901	7.6
133.06476	18.4
135.08044	4.8
137.05965	100.0
137.09584	7.9
138.06302	1.4
141.06725	0.8
143.08571	1.6
145.06516	3.3
147.08040	1.5
149.05966	1.8
151.07524	6.5
157.06451	1.5
158.82790	0.7
163.03914	0.9
163.07530	28.8
165.09062	7.2
169.01186	1.0
171.08055	2.6
173.09224	3.6
175.07518	1.9
177.05573	0.9
177.09090	1.6
189.09109	3.4
197.12888	0.9
201.11269	1.2
203.10645	5.2
207.09976	0.8
209.08076	1.5
215.13945	2.3
235.11180	1.2
243.13385	1.3
245.09804	0.8
263.10699	3.1
285.17508	0.7
295.13269	14.7
327.15927	18.3
345.16217	1.0
387.68991	0.8
471.18643	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.1
55.05508	1.4
57.03424	2.1
60.17789	0.9
67.05499	9.4
69.03416	8.6
70.06584	2.3
71.74497	1.4
72.08159	1.1
79.05497	1.7
79.24097	1.0
81.03413	8.8
81.07054	6.9
84.08119	2.5
85.02888	10.7
93.07034	2.0
95.04972	2.2
95.08598	3.8
97.02895	3.6
99.04430	2.4
107.08626	1.4
109.02872	15.1
109.06467	2.2
109.10143	28.8
111.04408	1.4
119.08556	2.0
125.06010	1.0
127.03903	10.5
129.44273	1.0
133.02831	1.2
135.08075	2.0
137.09598	88.1
138.09967	1.0
145.04955	1.8
150.10959	1.1
150.55066	1.0
151.81548	1.0
155.10632	5.3
160.31610	1.1
165.09099	100.0
166.09395	1.9
171.42397	1.0
181.40660	1.1
183.10135	10.4
191.33383	1.4
201.11220	8.9
263.12790	1.3
291.12256	14.4
309.13300	45.6
310.13809	1.8
327.14423	6.3
345.15414	3.3
438.25006	1.3
543.34790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
53.91280	0.4
55.01870	1.4
55.05507	1.4
57.03409	0.6
62.79058	0.4
65.03942	0.8
67.05498	16.1
69.03423	3.2
69.07046	1.3
70.06575	0.5
70.41319	0.4
71.04989	1.5
71.74703	0.5
72.08174	0.5
79.05482	2.2
81.03406	13.6
81.07044	9.8
83.04960	1.0
83.85431	0.4
84.08133	0.9
85.02902	2.3
86.09657	0.5
91.05444	2.2
93.07035	2.7
95.04948	2.9
95.08590	5.8
97.02873	3.8
97.06516	5.2
98.06858	1.1
99.04448	1.8
105.07049	0.6
107.04912	0.5
107.08579	2.4
109.02867	13.9
109.06502	1.3
109.10146	37.6
111.04423	1.0
117.03431	0.5
117.06981	0.6
119.08514	2.5
121.06426	0.5
121.10123	1.3
121.31485	0.4
123.00777	1.3
125.02351	2.0
125.05973	2.0
127.03902	5.9
129.10260	0.5
131.79294	0.5
135.04395	1.1
135.08061	0.7
137.09601	92.1
138.10001	0.8
141.01871	0.5
145.02821	1.1
145.10153	0.6
147.08012	0.7
155.10631	4.0
163.03891	9.2
163.07561	0.6
165.09100	100.0
166.09392	0.5
169.01328	1.3
183.10139	8.1
189.09081	0.6
189.94339	0.5
199.07483	0.8
201.11195	9.4
209.07443	0.5
220.08093	0.5
227.10507	0.6
237.49103	0.5
245.11679	0.8
259.09576	0.7
263.12820	1.3
273.11172	1.3
291.12225	6.8
309.13290	30.2
312.12979	0.9
317.78143	0.6
327.14401	7.4
345.15295	1.4
356.15817	1.1
385.15149	0.6
498.71576	0.5
542.25922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.6
55.01866	3.7
55.05502	25.4
57.07059	9.3
64.35495	2.9
65.03928	6.3
67.05492	70.5
69.07064	16.4
70.06603	3.4
71.08609	3.4
71.75622	3.9
74.20728	2.2
79.05486	81.2
79.16872	2.4
81.07042	75.7
83.04966	4.8
83.08613	10.6
88.07631	3.8
89.06067	3.6
91.05466	74.4
93.07029	88.8
95.04974	14.0
95.08583	44.9
97.06517	6.5
97.10155	4.2
99.08080	3.0
105.07012	36.6
107.08574	35.6
109.06517	4.6
109.10110	14.9
111.08072	3.2
117.07011	18.1
119.08569	34.2
121.10133	56.2
123.08061	4.3
123.11706	4.0
125.09642	4.0
129.06999	11.5
131.08531	24.1
133.10092	22.8
135.08028	5.5
135.11693	11.5
137.09592	4.4
143.08553	11.3
145.09106	2.8
145.10097	15.6
147.11700	11.3
148.16985	3.1
149.00545	2.9
149.09566	4.6
149.13223	3.4
155.08553	3.3
157.10150	11.7
159.11664	7.2
169.10135	4.0
171.11697	7.6
173.13339	7.1
175.14751	4.5
185.13277	4.3
187.14748	4.1
189.16364	8.0
199.14839	8.7
215.18083	4.3
217.15910	5.7
230.47324	2.7
233.18939	3.6
235.16985	6.3
256.26208	6.2
291.19702	6.1
449.33752	6.9
523.37903	7.2
541.38885	100.0
541.53735	11.8
542.39441	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	1.5
51.02373	1.7
53.03946	7.9
55.01867	4.3
55.05507	28.2
57.03425	4.3
57.07080	1.9
59.04986	1.0
65.03934	6.4
65.10126	0.8
67.05499	90.4
69.03417	3.1
69.07062	20.2
69.48533	1.6
69.48933	7.5
71.04999	4.5
71.08627	1.1
73.06557	1.4
74.09725	0.9
77.03928	1.3
79.05486	100.0
81.03400	7.8
81.07048	66.8
83.04978	12.6
83.08613	11.4
85.02879	0.8
85.06551	3.1
91.05474	71.2
93.07037	90.1
95.04962	24.6
95.08599	47.6
96.08908	0.9
97.06519	6.9
97.10177	5.9
98.20699	1.3
99.08096	1.4
103.05476	2.2
105.04516	2.5
105.07022	48.9
107.04945	6.9
107.08583	34.4
109.06504	6.4
109.10150	12.2
111.08096	2.0
115.05475	2.0
117.07010	13.3
119.08574	29.0
121.06520	1.7
121.10133	19.5
123.08057	4.9
123.11741	3.0
128.06224	3.4
129.06992	15.3
130.07838	1.1
131.08562	13.1
133.10117	16.2
135.08054	1.5
135.11682	11.4
141.07016	1.4
141.09094	1.0
142.07750	0.9
142.43172	1.0
143.08562	10.8
145.10114	13.8
147.08064	2.4
147.11667	33.6
149.13292	3.6
155.08537	3.1
156.09354	1.3
157.10138	3.8
159.11667	5.4
161.09610	4.3
161.13229	14.0
163.11195	1.3
169.10150	3.2
171.11668	25.7
171.13016	1.6
173.13252	3.9
175.14822	1.3
179.14381	1.2
181.10208	1.7
183.11723	2.8
185.13286	2.1
187.14847	1.6
189.12730	8.5
195.11691	1.5
197.13243	2.1
201.16434	1.4
207.11816	1.4
207.13788	24.3
225.14674	1.4
243.21013	1.1
261.22034	5.0
279.21039	1.0
281.17422	1.7
317.24777	1.5
351.95810	0.9
363.52380	1.0
449.34021	2.2
467.35312	1.5
523.38232	1.9
541.38916	80.4
542.39526	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.8
55.01863	4.0
55.05505	22.1
57.03430	4.9
57.07065	6.7
64.16756	2.6
65.03936	4.1
67.05500	62.0
69.07063	15.2
70.06583	5.4
70.17560	11.8
79.05489	56.2
79.05924	4.7
81.07047	72.3
83.04971	5.5
83.08611	16.1
88.07616	6.8
91.05473	62.1
93.07037	56.6
95.04951	22.0
95.08596	36.3
97.06511	5.9
97.10174	5.6
99.08118	3.3
105.07021	34.4
107.04992	4.7
107.08585	23.5
109.06511	9.5
109.10165	12.8
109.85447	2.4
111.08088	4.9
117.06963	16.8
119.08572	24.6
121.10130	17.2
123.08071	3.3
125.09561	2.7
128.06212	4.2
129.06993	22.2
131.08551	19.3
133.10115	16.9
135.11661	13.1
137.09642	5.1
141.06970	4.5
143.08542	13.1
145.10094	19.4
147.10710	2.5
147.11615	13.6
155.08617	4.5
157.10130	4.9
159.11703	11.1
161.09554	3.4
161.13280	11.3
163.11191	4.0
169.10103	7.3
171.11699	22.2
173.13283	8.9
181.10083	3.8
183.11705	6.7
185.13258	3.5
189.12762	9.8
197.13307	4.2
207.13936	3.8
211.14905	4.4
235.16972	4.2
256.26437	8.7
257.26776	4.9
259.20538	2.5
263.16278	3.1
311.29529	5.2
312.29767	6.8
394.13235	2.6
449.34164	6.7
467.34952	3.6
523.38019	7.6
541.38959	100.0
541.53430	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92878	7.7
55.05486	24.1
55.65473	8.9
61.00741	8.3
67.05495	41.9
69.07049	28.1
69.41867	9.5
70.06575	43.0
70.80196	20.3
70.80520	8.3
71.05011	12.3
72.08135	28.5
73.93826	8.2
76.03989	12.5
79.05475	17.8
81.03385	11.6
81.07045	89.1
83.08600	19.8
84.08121	21.3
85.02901	11.3
85.06520	18.0
86.09681	21.8
88.31996	8.5
91.05457	12.2
92.91167	10.7
93.07030	45.1
95.04972	14.2
95.08589	67.5
97.06480	11.2
99.08096	11.1
107.08604	32.5
109.02889	9.0
109.10143	43.2
111.08071	25.8
111.11687	13.2
119.08595	11.4
120.08083	100.0
121.10151	26.4
122.01738	9.6
123.00745	9.2
123.11702	38.4
124.99956	10.4
125.02348	30.1
133.10149	7.8
135.11665	14.9
137.13234	20.3
141.01909	11.1
147.11726	10.6
149.13228	21.6
169.01312	20.3
185.09578	8.8
207.66347	9.4
219.14842	16.1
289.25177	26.7
295.12839	23.8
295.26093	9.1
307.26221	42.9
311.12796	14.5
325.27457	14.7
358.48495	9.6
491.16507	9.9
541.22162	13.3
541.41321	14.8
552.70380	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.3
57.05092	1.7
57.06792	2.7
57.07066	42.2
69.07055	4.8
69.52412	4.9
69.52827	12.1
70.06574	9.0
71.08619	30.8
73.02881	2.5
73.06526	6.5
79.05463	2.0
81.07036	3.2
82.84436	1.8
83.08622	4.3
84.82126	1.8
85.10167	17.3
87.04462	3.8
88.07605	11.4
89.06015	100.0
95.08574	3.7
97.10153	4.8
99.11737	3.1
102.09174	10.2
107.07057	5.1
111.11680	2.1
117.09093	4.1
130.08643	3.8
133.08582	46.1
139.14815	1.9
177.11252	14.0
197.22665	2.5
221.13922	2.5
239.14943	2.7
256.26343	26.0
274.27451	2.5
283.17529	3.3
283.26456	6.8
284.29486	5.9
285.27911	3.3
311.29382	30.5
313.26401	1.9
327.20059	12.3
329.30396	3.8
523.41785	9.4
533.08612	2.0
540.53436	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81554	2.7
53.03927	10.3
55.01870	22.7
55.05497	18.5
57.03432	20.0
57.07071	89.3
61.02902	6.4
64.93614	2.6
67.05506	39.1
69.03419	45.5
69.07067	27.7
71.04984	10.9
71.08628	67.4
71.75493	3.8
73.02907	57.3
79.05483	11.2
81.03412	36.5
81.07050	58.4
83.04968	10.1
83.08611	30.4
85.02441	3.9
85.02899	42.0
85.10178	44.4
87.04472	3.1
89.06028	15.1
89.37840	2.7
91.05462	7.5
93.07033	13.0
95.04918	3.0
95.08596	66.4
97.02871	20.7
97.10148	18.0
99.04443	20.7
99.11720	6.0
105.07029	5.9
107.04931	3.0
107.08575	6.4
109.02869	74.7
109.10140	36.5
110.03669	14.0
111.04431	62.1
111.11694	5.7
115.03901	2.7
119.08560	4.7
121.10131	8.9
123.11679	23.5
125.13289	6.9
127.03911	40.3
131.08546	5.1
132.99538	24.3
133.08560	6.8
133.10091	3.7
135.11671	6.3
137.13239	9.4
139.11177	3.0
139.14836	3.0
145.10155	5.1
151.00592	12.3
151.14777	5.8
155.00166	3.3
163.11179	4.3
165.16402	3.4
172.99025	5.6
191.00044	37.7
209.01164	15.5
209.11665	7.6
221.22618	4.3
239.23666	100.0
245.13751	8.4
257.24741	12.5
265.03769	7.7
283.15170	3.2
309.17361	3.1
313.27344	59.1
539.28662	56.9
539.38812	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.303
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
55.05515	0.6
56.96551	0.6
67.05495	1.7
69.07040	0.6
70.04242	2.1
79.05481	0.8
81.03400	0.5
81.07044	1.0
83.08607	0.4
84.87656	0.3
86.09669	0.4
91.05460	0.9
93.07047	0.9
95.04966	0.4
95.08600	1.0
98.20753	0.5
104.10757	0.7
105.07012	0.7
107.08569	0.6
109.10138	0.7
119.08540	0.7
121.10131	0.7
123.21635	0.4
125.09653	0.4
131.08533	0.6
133.10139	0.4
167.05479	0.5
184.07297	0.5
265.98758	0.4
269.10544	0.5
301.20135	1.2
411.63116	0.5
537.30304	100.0
538.30756	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21685	7.0
53.03943	10.4
55.05492	27.6
57.03421	18.8
57.07087	47.9
58.50640	7.2
67.05503	58.6
69.07062	20.1
71.08608	34.4
79.05490	72.6
81.03407	12.1
81.07049	68.0
83.04979	14.4
83.08598	23.4
85.06541	8.1
85.10170	15.3
91.05466	67.0
93.07040	77.4
95.04948	15.6
95.08588	48.5
97.06445	8.1
97.10142	9.5
105.07010	47.4
107.08566	13.7
109.06525	9.4
109.10102	19.4
117.06961	8.4
119.08566	29.2
123.08086	11.6
129.06972	11.1
133.10117	15.6
145.10115	14.5
145.15948	8.5
147.11699	43.7
148.71547	6.9
151.06456	7.0
161.13280	13.4
162.98982	7.5
171.11722	36.0
173.05089	8.3
189.12798	9.6
190.50758	7.3
207.13809	33.2
225.20349	7.8
281.17410	65.9
305.32239	7.7
313.27347	78.8
334.15884	9.4
519.40448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1957
Annotation	Bidenlignaside A
Peak:m/z	Relative Intensity
55.01855	4.0
57.03397	1.0
57.78752	1.0
65.03922	1.2
67.05482	2.1
69.03417	6.3
70.06583	1.6
71.04990	2.0
71.74632	1.9
72.08116	1.4
79.05491	1.4
81.03400	9.4
81.07022	2.0
84.08125	1.5
85.02886	13.8
86.09703	1.9
91.05470	3.4
94.04182	1.5
95.04994	1.8
96.23495	1.3
97.02872	4.6
103.05483	2.1
105.07037	1.4
107.04929	2.6
107.08553	1.2
108.02116	1.9
109.02878	2.6
109.06511	2.7
111.04436	2.3
115.05422	2.4
117.06993	1.6
119.04945	2.5
119.15823	1.0
122.03648	3.0
125.06009	3.0
127.03918	4.9
128.06204	2.7
129.06989	12.9
129.10196	1.1
131.04910	2.4
131.08607	1.5
137.05959	73.8
141.05441	3.4
143.04892	4.6
145.06453	2.0
147.04410	3.1
147.08044	2.1
151.03885	100.0
151.04944	6.6
153.05428	8.4
155.04849	1.1
157.06483	13.6
159.04436	1.8
159.08095	1.6
160.05188	3.2
161.05980	3.2
161.09615	1.6
163.07503	2.9
165.05470	3.4
167.03342	1.4
171.04430	3.2
174.06731	5.3
175.07510	8.6
176.04733	1.4
177.09187	1.3
179.07021	4.6
181.04877	1.3
187.07587	3.5
188.04680	1.3
189.09093	20.6
191.07045	8.1
191.08556	1.8
195.06546	1.4
203.07001	30.0
205.08604	8.4
215.06982	2.6
218.07187	1.4
219.08076	2.2
221.08031	6.4
229.85094	1.1
233.08035	15.5
244.55013	1.1
246.06790	1.2
247.07549	3.4
261.09134	1.6
263.06857	1.5
267.10150	1.6
277.08588	2.5
279.10187	3.2
285.07535	2.0
286.08395	3.4
287.05521	3.0
288.05722	2.3
289.05841	5.2
289.08762	1.4
291.10007	1.7
295.09595	3.5
297.11108	1.7
306.08820	1.7
307.09576	7.1
311.12689	2.9
321.11206	4.9
327.12274	13.5
339.12253	13.5
341.13879	1.3
345.13275	2.9
357.13324	35.8
359.14890	2.5
375.14304	9.8
537.21069	1.4
554.71143	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.0
57.03397	1.0
57.78752	1.0
65.03922	1.2
67.05482	2.1
69.03417	6.3
70.06583	1.6
71.04990	2.0
71.74632	1.9
72.08116	1.4
79.05491	1.4
81.03400	9.4
81.07022	2.0
84.08125	1.5
85.02886	13.8
86.09703	1.9
91.05470	3.4
94.04182	1.5
95.04994	1.8
96.23495	1.3
97.02872	4.6
103.05483	2.1
105.07037	1.4
107.04929	2.6
107.08553	1.2
108.02116	1.9
109.02878	2.6
109.06511	2.7
111.04436	2.3
115.05422	2.4
117.06993	1.6
119.04945	2.5
119.15823	1.0
122.03648	3.0
125.06009	3.0
127.03918	4.9
128.06204	2.7
129.06989	12.9
129.10196	1.1
131.04910	2.4
131.08607	1.5
137.05959	73.8
141.05441	3.4
143.04892	4.6
145.06453	2.0
147.04410	3.1
147.08044	2.1
151.03885	100.0
151.04944	6.6
153.05428	8.4
155.04849	1.1
157.06483	13.6
159.04436	1.8
159.08095	1.6
160.05188	3.2
161.05980	3.2
161.09615	1.6
163.07503	2.9
165.05470	3.4
167.03342	1.4
171.04430	3.2
174.06731	5.3
175.07510	8.6
176.04733	1.4
177.09187	1.3
179.07021	4.6
181.04877	1.3
187.07587	3.5
188.04680	1.3
189.09093	20.6
191.07045	8.1
191.08556	1.8
195.06546	1.4
203.07001	30.0
205.08604	8.4
215.06982	2.6
218.07187	1.4
219.08076	2.2
221.08031	6.4
229.85094	1.1
233.08035	15.5
244.55013	1.1
246.06790	1.2
247.07549	3.4
261.09134	1.6
263.06857	1.5
267.10150	1.6
277.08588	2.5
279.10187	3.2
285.07535	2.0
286.08395	3.4
287.05521	3.0
288.05722	2.3
289.05841	5.2
289.08762	1.4
291.10007	1.7
295.09595	3.5
297.11108	1.7
306.08820	1.7
307.09576	7.1
311.12689	2.9
321.11206	4.9
327.12274	13.5
339.12253	13.5
341.13879	1.3
345.13275	2.9
357.13324	35.8
359.14890	2.5
375.14304	9.8
537.21069	1.4
554.71143	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31996	1.6
53.03934	2.2
55.01862	3.3
55.05495	2.8
57.07066	2.7
66.67924	1.6
67.05495	11.7
67.35790	1.5
67.47534	1.7
69.03413	5.4
69.07065	3.4
69.72620	11.7
71.04974	6.2
72.70307	1.4
79.05486	10.7
81.03397	12.2
81.07050	10.9
81.35930	1.5
83.04965	3.5
83.08612	2.5
85.02883	5.8
85.06528	6.2
87.00813	3.5
91.05456	10.3
93.07024	8.8
95.04962	9.6
95.08608	10.8
97.02874	13.2
97.06508	6.4
99.08092	1.9
103.32032	1.4
105.07017	19.3
107.08582	18.6
109.02870	7.8
109.06505	68.9
109.10150	25.5
110.31949	1.7
111.08066	3.0
117.06971	3.2
119.08572	10.7
121.06505	1.9
121.10123	10.6
123.08056	13.3
123.11709	2.1
127.03903	10.8
129.06995	3.3
131.07655	2.2
131.08556	26.6
132.95796	2.2
133.10115	69.2
135.08051	41.5
135.11752	1.6
143.08527	3.1
145.04922	2.4
145.10106	6.3
147.08015	1.6
147.11676	5.7
149.09610	5.5
149.13239	6.0
158.10878	9.6
168.95818	1.8
173.13229	45.8
175.11206	2.1
176.11432	1.8
178.86279	1.6
191.14291	100.0
192.14600	2.3
209.15356	39.0
210.15741	1.8
234.99004	3.0
239.07286	2.0
269.08362	1.7
299.06042	2.1
313.88000	1.6
501.24774	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42474	1.6
55.05503	2.3
56.96568	4.1
57.07059	3.2
57.07330	1.7
67.05495	9.2
67.74201	1.8
67.91084	1.7
69.03413	4.5
69.07056	2.9
70.87195	5.2
71.05002	8.4
79.05482	6.4
81.03429	8.1
81.07050	6.2
83.08598	1.7
85.02908	2.9
85.06530	7.5
86.09692	5.3
91.05465	6.3
93.07026	10.5
95.04958	4.5
95.08583	8.4
97.02911	9.9
97.06503	4.7
105.01880	2.0
105.06372	1.5
105.06985	9.3
107.08572	16.3
109.02879	9.2
109.06503	100.0
109.10146	30.8
111.08089	7.1
117.07062	1.6
119.08591	3.6
120.08154	2.5
121.10128	13.6
123.08032	15.4
127.03893	5.7
131.08545	15.6
133.10104	17.4
135.08037	51.7
137.36891	1.5
143.08438	3.1
145.10110	3.4
147.11668	5.9
149.09590	3.6
149.13263	3.0
153.09105	6.2
158.10910	5.4
159.02887	2.2
173.13237	26.2
178.00568	1.6
180.10323	1.7
183.03207	2.5
191.14288	90.5
192.14653	1.8
194.56108	1.7
209.15335	46.3
213.07997	6.1
231.09030	8.6
239.05914	2.6
257.06927	5.9
275.07837	4.0
365.08954	3.5
375.12064	1.7
383.09958	3.6
412.70523	1.7
461.98160	1.7
507.31946	1.8
537.12714	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02961	0.7
70.35075	3.0
85.02904	1.5
91.78836	0.7
94.92992	1.4
98.20806	0.7
110.51437	0.8
110.53068	0.7
112.89597	2.4
113.00893	1.1
113.50883	0.9
114.89319	0.9
116.50932	0.7
119.01920	2.0
119.51982	0.9
122.01356	3.3
122.51411	2.4
123.01228	1.7
128.51410	0.8
131.01888	11.5
131.51949	12.1
132.01761	7.4
132.02657	1.2
137.01877	7.0
137.51941	8.1
138.01765	6.9
143.01865	7.3
143.02811	1.0
143.51877	5.9
144.01747	5.0
146.02425	1.3
146.52542	0.9
147.02411	1.0
149.01796	1.4
149.51978	1.6
150.01752	1.1
152.02425	4.2
152.52455	4.8
153.02289	3.3
156.97498	1.0
158.02371	1.7
158.52475	2.0
159.02277	1.5
161.02863	1.5
161.53021	1.7
162.02879	1.5
164.52458	2.2
167.53140	0.8
170.95477	1.4
173.02962	7.6
173.52975	7.4
174.02856	6.7
179.02969	1.0
179.53073	0.9
180.02855	1.0
180.97478	2.3
181.85326	0.8
182.03375	1.9
182.53540	2.1
183.03380	1.3
193.99808	0.9
194.53612	1.8
194.95305	2.4
194.96703	26.6
195.03465	1.2
198.98586	0.8
202.89116	1.4
203.03868	9.8
203.54074	12.7
204.03929	10.5
204.54054	1.5
212.04443	1.2
212.54539	2.0
212.96457	9.0
213.04503	1.6
215.54237	0.8
224.04369	3.6
224.54614	7.6
225.04431	6.0
230.97440	2.1
235.98080	0.8
236.96457	2.5
239.55020	1.3
245.05338	0.8
252.99544	1.8
254.05496	0.9
254.55531	3.5
254.97484	100.0
255.97598	2.3
256.02011	0.9
266.97461	36.7
278.97565	2.3
283.00528	3.4
284.06656	2.6
284.56757	4.6
284.98560	4.7
285.06512	4.6
296.98538	2.5
308.98550	1.3
314.99582	19.1
338.99612	1.3
343.02240	0.8
357.00671	9.6
365.10455	6.8
365.59433	1.5
366.09351	1.1
375.01816	3.5
381.07831	3.1
403.04645	2.2
417.02661	2.7
537.06543	0.9
537.14270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.3
56.05016	0.6
58.06584	0.4
58.47631	0.2
60.08155	6.2
61.02923	0.2
62.71993	0.2
67.05486	0.8
71.07362	3.0
71.13470	0.3
71.13804	0.6
79.05457	0.4
81.07034	0.8
85.02871	0.8
86.09695	29.3
91.03930	0.4
91.05789	0.3
93.07040	0.3
94.67005	0.2
95.08570	0.4
97.02866	0.3
98.98457	3.2
104.10724	3.2
107.08585	0.2
124.99988	20.2
141.01711	0.3
145.04980	0.4
159.02930	0.2
163.06000	0.7
184.07320	100.0
185.07629	0.5
299.06146	0.5
491.49234	0.3
500.31232	1.0
518.32465	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.4
55.01858	13.0
55.05501	17.7
57.03433	70.2
61.02923	16.7
63.02572	6.6
65.03938	5.8
66.79181	6.5
67.05499	67.2
69.03419	25.6
69.07061	51.3
69.61663	49.8
71.04979	6.9
71.49088	5.8
73.04755	8.3
79.05495	86.4
81.03403	23.2
81.07050	100.0
83.04981	18.4
83.08602	20.7
85.02896	30.8
85.06524	6.9
91.03960	7.7
91.05423	63.7
93.07035	88.8
95.04961	19.9
95.08616	38.9
97.02884	16.7
97.06520	42.2
99.04471	7.2
103.03933	23.2
105.07023	35.8
107.04929	12.8
107.08573	45.0
109.06538	14.0
109.10145	23.1
111.08061	6.8
117.06999	24.2
119.08551	41.2
121.06512	11.1
121.10134	69.2
123.08037	13.4
125.09622	17.2
127.07541	8.3
129.07039	13.9
131.08553	47.4
133.06473	7.0
133.10092	32.1
135.08002	32.4
135.11703	8.8
137.09608	12.9
139.11115	12.6
143.07021	13.7
145.08545	9.6
145.10086	38.8
147.07956	8.0
149.09622	58.5
151.11162	14.4
153.09116	11.4
159.11681	10.4
161.09627	7.2
163.11189	9.2
167.05544	17.7
167.10651	11.9
169.10110	16.5
171.11658	12.2
187.11177	7.7
187.14886	14.3
201.11275	13.9
201.16336	16.6
211.14787	20.0
223.13289	12.6
227.12735	67.1
229.15863	26.8
234.60612	6.1
241.14307	88.8
247.16876	29.1
299.06119	35.3
312.13065	12.2
321.20612	91.3
325.03824	6.9
339.21603	35.7
339.25256	8.7
344.97656	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	21.0
55.05497	28.7
57.03435	66.4
61.02913	12.0
67.05496	60.2
67.91385	6.6
69.03413	29.0
69.07063	55.9
70.06599	11.4
71.01321	7.5
71.04961	10.0
73.04731	9.5
79.05493	100.0
81.03407	28.0
81.07048	96.7
83.04950	20.0
83.08594	21.9
84.05702	8.0
84.08136	7.8
85.02884	26.3
91.05392	66.2
93.07039	91.3
95.04948	18.5
95.08598	51.8
96.05254	7.3
97.02873	21.2
97.06511	53.0
98.06853	8.3
98.97588	8.9
103.03941	16.5
105.07025	49.4
107.04939	21.7
107.08573	56.3
109.06512	25.8
109.10142	26.5
111.04412	11.3
117.06994	38.1
119.08551	38.6
121.10146	78.3
123.08044	16.7
125.09615	20.7
127.03915	17.8
129.07013	14.4
131.07727	7.4
131.08548	42.1
133.10126	35.5
135.08075	35.9
135.11685	11.5
137.09641	15.4
139.11165	16.7
143.08478	14.7
145.10136	52.7
147.08127	7.1
147.11694	8.1
149.02362	8.1
149.09619	79.2
153.09056	12.9
159.08029	7.1
159.11652	21.6
165.08961	8.5
167.05524	33.7
167.10648	23.8
169.10120	11.0
173.09615	9.0
173.13240	11.9
175.11166	11.4
177.09193	9.0
185.13187	10.5
187.11241	10.5
187.14804	25.0
193.05077	7.9
201.16422	15.8
201.98819	7.9
211.14827	17.2
220.21107	7.5
223.13303	10.9
227.12749	78.3
229.15884	40.8
237.07549	10.9
241.14301	95.0
247.16956	29.4
283.02859	12.8
299.06155	63.8
300.06415	7.6
312.13068	15.3
321.20593	87.2
339.21722	55.7
344.15659	16.4
344.97592	9.8
385.19055	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76154	1.3
55.05492	7.8
57.03392	1.5
58.99573	15.9
67.05495	8.2
69.03422	2.1
69.07053	2.2
70.02933	1.9
70.06583	3.6
71.04981	2.6
71.43469	2.0
72.08111	1.2
76.02216	100.0
76.03964	4.1
79.05487	7.1
80.05012	1.9
81.03404	25.6
81.06627	1.9
81.07037	11.3
83.04971	7.3
83.06113	1.8
83.08601	8.8
84.04488	26.7
84.08128	2.1
85.02889	2.7
85.04015	2.9
85.12334	1.1
86.09705	1.8
86.99033	3.6
88.02195	1.6
91.05433	10.5
92.01665	1.6
93.07043	5.1
95.02264	1.3
95.04945	11.7
95.08589	4.5
97.02905	2.6
97.06506	2.5
97.10116	1.5
99.05527	1.3
105.07021	7.8
107.04934	3.1
107.08582	2.1
109.06494	2.1
111.04412	1.6
111.08058	3.4
116.01661	26.9
119.08559	4.1
120.08080	2.6
121.10123	2.1
122.73792	1.4
123.08025	1.4
124.02183	1.6
125.29095	1.3
129.06946	3.1
130.04977	16.1
131.04520	2.2
131.08559	4.1
133.10069	4.2
137.06012	2.1
142.03215	11.8
144.01118	13.5
147.11655	4.5
149.09584	2.4
155.11620	1.3
157.10092	5.4
162.02185	48.6
162.03534	2.3
165.12811	1.4
167.05478	2.4
170.02702	3.2
175.11221	6.1
177.03217	7.4
177.44868	1.2
179.04825	94.3
187.05432	3.3
193.12170	14.4
211.13258	28.8
215.04829	2.8
221.13788	1.4
233.05861	23.7
245.05836	5.0
250.12437	1.6
290.07919	2.3
291.06409	3.7
299.06171	5.3
308.09039	78.4
397.54538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68399	2.0
53.03930	6.3
55.01861	11.4
55.05508	37.8
57.03423	13.1
57.07066	4.6
65.03933	6.1
66.45708	2.2
67.05496	91.6
69.03445	5.2
69.07061	26.9
69.88966	4.0
69.89379	11.6
70.15005	2.2
71.04963	9.5
71.08621	3.0
79.05482	69.7
80.68365	2.3
81.03406	19.4
81.07043	100.0
81.93307	2.0
82.07417	2.7
83.04969	14.9
83.08606	26.3
83.33334	2.1
85.02890	7.4
85.06517	5.3
91.05460	55.8
93.07034	68.6
95.04936	17.0
95.08595	62.0
97.02893	2.5
97.06506	16.1
97.10171	12.6
99.08055	5.6
104.08497	2.8
105.07017	46.5
107.04937	6.5
107.08579	42.0
109.06488	6.8
109.10140	27.3
111.04415	9.0
111.08057	8.5
113.09697	2.2
117.07004	19.1
119.08569	44.5
121.06470	6.2
121.09329	4.3
121.10127	34.9
123.08038	10.3
123.11681	9.0
125.09600	11.0
129.07014	13.4
131.08553	30.1
133.06503	2.4
133.10117	31.2
134.10486	2.7
135.08011	8.2
135.11688	27.4
137.09590	9.5
139.11145	3.0
141.06943	4.5
142.07771	3.2
143.07010	3.2
143.08536	12.8
145.06410	3.2
145.10121	27.0
147.08000	5.8
147.11723	16.8
149.09561	9.0
149.13258	10.3
151.11171	3.9
153.09131	3.6
153.12691	3.7
155.08504	6.6
157.10103	15.6
158.76466	2.2
159.11656	18.8
161.09639	6.4
161.13211	9.1
163.11153	13.1
163.14848	2.3
165.09138	4.1
167.05510	3.3
167.10651	3.2
169.10104	6.6
171.11678	9.4
173.09593	2.5
173.13234	14.3
175.11153	7.1
175.14767	4.3
175.75107	2.4
181.12201	5.1
183.11639	5.7
184.07320	8.1
185.13223	5.2
187.11198	3.5
187.14746	3.5
189.11111	6.4
191.10648	4.3
193.12216	10.8
195.13815	3.4
197.13332	3.3
199.14713	3.6
201.12805	2.6
205.19534	3.1
211.13182	14.9
215.17894	10.0
221.13184	3.1
225.16306	3.9
227.12733	10.2
229.14287	3.6
233.18950	6.8
239.12686	5.7
239.17986	3.2
241.14171	2.5
257.19031	3.8
259.20276	2.4
263.20026	2.7
267.15619	3.7
273.18472	3.1
275.19919	3.0
283.15457	4.7
285.16925	7.1
291.19711	3.5
299.06229	6.1
307.22675	8.1
327.23132	4.2
363.25256	4.1
389.28061	3.7
407.29306	14.0
425.30521	12.6
443.31342	8.0
445.29337	3.5
499.34259	27.4
517.28149	4.7
517.35223	63.5
535.36206	38.9
559.53693	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39498	2.0
53.03932	6.5
55.01867	10.4
55.05507	28.2
57.03428	10.9
57.07084	2.8
65.03937	7.0
67.05132	5.0
67.05499	100.0
68.05807	2.4
69.03411	4.0
69.07065	47.3
69.16969	2.2
70.07395	4.1
70.07792	8.4
71.04981	7.2
71.08619	4.0
76.03774	2.2
79.05486	65.4
81.03424	20.2
81.07047	96.3
83.04974	7.1
83.08617	10.7
85.02936	5.0
85.06535	4.2
91.05470	99.5
93.07037	74.3
95.04964	11.1
95.08595	90.8
97.06548	13.9
97.10132	7.5
98.21406	2.9
99.08088	6.6
102.63988	2.5
105.07013	45.8
107.04949	3.9
107.08575	44.8
109.06488	5.8
109.10148	41.3
111.04452	3.6
111.08070	3.9
113.09651	3.9
114.44660	2.4
117.07013	25.8
119.08568	88.7
119.09403	5.2
120.08990	2.5
121.06490	4.5
121.10140	34.4
123.08036	3.9
123.11709	11.9
125.05956	4.2
125.09630	15.7
129.06982	16.1
131.08540	28.0
133.10117	29.9
135.08044	10.1
135.11696	15.8
137.09589	28.6
137.13216	5.2
139.11148	2.6
143.07039	11.6
143.08566	17.2
145.10117	27.0
147.08026	6.3
147.11694	19.2
149.09608	6.4
149.13248	10.6
151.11176	4.4
151.42435	2.4
153.09090	10.5
155.08546	8.5
157.10124	13.4
159.08165	2.5
159.11674	19.4
161.08005	4.0
161.13243	14.7
163.11165	3.3
163.14781	4.6
165.09119	17.4
167.10748	3.0
169.10117	9.2
171.11636	12.8
173.13248	18.0
175.11163	3.9
175.14850	5.2
181.08644	4.3
181.10074	3.3
183.10190	8.8
183.11752	6.3
185.13297	7.8
187.11267	3.4
187.14738	11.7
189.16455	2.9
197.13150	5.3
199.09654	7.7
199.14851	3.3
201.16357	4.4
209.13390	3.8
209.15231	2.4
211.14854	2.8
213.16505	3.8
215.17940	2.8
217.15904	3.1
227.12653	2.8
229.14232	3.8
239.12697	3.4
243.21182	2.6
255.12262	3.4
257.13828	15.6
261.22086	19.2
279.23209	3.9
281.22568	3.1
285.22183	4.6
289.21457	4.9
297.28641	2.9
303.23129	6.4
313.21231	2.7
317.24570	3.2
327.23154	8.0
335.25882	16.9
345.24207	3.5
359.25577	3.0
379.29715	3.8
389.28305	4.8
397.30988	4.6
407.29337	11.9
425.30359	11.1
443.31512	7.4
445.29782	5.8
459.30835	6.6
461.32590	3.2
481.33038	5.2
499.34189	42.9
517.35248	72.6
535.36163	27.5
536.36511	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.108
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03940	1.7
55.01863	1.7
57.03429	1.2
61.02914	1.1
65.03892	0.2
66.70222	0.1
67.05486	0.3
68.99787	1.3
69.03424	5.9
69.07052	0.3
69.70311	0.7
69.70730	0.5
70.06558	0.3
71.04962	0.8
72.08149	0.2
73.02905	1.1
79.05453	0.3
81.03410	7.8
82.71648	0.1
83.01311	0.3
84.04513	0.2
85.02897	11.4
86.09693	2.4
87.00818	4.6
87.04446	0.2
87.10011	0.3
91.03924	0.5
91.05440	0.2
95.04939	0.3
97.02319	0.3
97.02879	3.7
97.06499	0.2
98.20747	0.2
99.04451	2.2
101.22064	0.2
103.81745	0.2
105.01860	2.6
105.03347	0.4
107.04945	0.3
109.02866	6.1
109.03613	0.3
109.06464	0.2
111.00760	0.7
111.04416	0.2
117.01818	0.8
120.08064	0.5
121.02843	2.5
127.03899	9.3
129.01860	1.0
133.02792	0.6
135.04405	0.2
137.02292	0.8
137.05971	0.2
141.94730	0.1
143.08116	0.2
145.04958	2.5
145.06161	0.3
145.06374	0.2
147.02849	0.4
147.04381	0.5
152.06691	0.2
153.01810	3.2
157.06454	0.5
159.02890	4.4
161.05962	0.3
165.01802	1.8
166.08644	0.4
169.06447	0.2
171.04329	0.3
175.07484	0.2
183.02925	0.8
185.05991	0.5
189.05562	0.2
189.12633	0.3
199.17982	0.6
203.06973	0.2
213.03952	0.3
213.05464	1.2
227.17509	0.6
229.04977	0.2
231.04617	0.9
231.06833	0.3
241.04926	0.7
241.12135	0.2
250.62680	0.2
258.05280	1.0
259.06024	0.3
269.04446	0.2
287.05463	100.0
288.05789	1.8
303.66473	0.2
311.12552	0.3
317.06464	0.3
329.06543	0.5
535.13373	0.3
535.21436	6.2
540.60840	0.2
555.37268	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	23.5
57.03422	6.7
57.07061	12.2
61.02905	5.6
67.05502	93.8
69.07060	33.7
70.23981	3.0
70.45444	6.6
70.45840	9.2
71.08633	5.7
74.91049	3.0
78.23291	3.4
79.05487	31.6
80.05824	3.5
81.07047	100.0
83.08608	25.1
85.02887	7.4
86.09688	10.8
91.05471	23.1
93.07038	36.5
95.04955	3.9
95.08596	88.0
97.02901	4.6
97.06523	8.0
97.10140	12.7
104.10728	25.6
105.07009	13.0
107.08588	29.1
109.10139	42.9
111.08102	4.4
113.09596	5.0
119.08607	19.3
121.10153	28.7
123.11694	20.2
125.00004	8.3
125.09660	4.9
133.10115	16.4
135.11681	16.3
137.09596	3.7
137.13219	8.8
141.12744	4.8
147.11668	15.2
149.13214	10.6
151.14828	10.5
155.14229	4.1
161.13257	16.9
163.14803	9.3
165.16342	7.7
175.14801	8.7
177.16441	6.9
179.17862	10.6
184.07321	22.1
189.16364	7.1
241.13742	3.5
245.22650	68.6
263.23685	80.3
307.40051	3.3
337.27332	57.6
355.10989	3.2
355.28397	4.7
441.78873	3.6
475.21661	3.7
499.33005	4.0
534.35419	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01850	5.5
55.05497	9.3
57.03431	15.6
59.52745	2.4
59.94076	2.2
60.65103	2.3
60.83440	2.6
61.02917	2.9
67.05498	28.3
69.03410	6.2
69.07057	19.2
70.06627	2.3
71.04983	3.9
71.74633	2.4
79.05484	31.1
79.12141	2.4
81.02933	5.1
81.03405	100.0
81.07036	28.2
81.22944	2.2
83.04963	7.4
83.08600	7.2
85.02892	9.0
86.09691	6.8
91.05468	35.0
93.07028	23.4
95.04940	15.5
95.08592	17.7
97.02880	8.4
97.06510	23.2
97.10178	2.7
102.41029	2.3
105.06991	16.6
107.04926	7.5
107.08567	11.6
109.02869	3.5
109.06519	4.5
109.10146	7.0
111.08138	4.4
117.06992	4.4
119.08555	32.9
121.06516	8.7
121.10136	11.4
123.08045	8.5
125.09605	3.3
129.06995	8.4
131.08533	8.4
133.06555	2.9
133.10098	8.1
135.08031	4.4
137.09634	16.1
141.06929	3.4
143.07010	6.3
145.10109	4.4
147.08009	7.9
147.11710	6.4
149.09593	6.1
157.10173	6.8
161.09500	3.4
165.09096	16.7
165.78697	2.9
169.06384	3.0
175.11220	2.9
184.05911	2.7
184.07304	13.5
193.12245	9.7
199.14758	2.9
209.09811	2.7
211.13261	12.6
215.06918	4.3
227.10759	4.3
239.12733	50.3
245.15332	3.0
257.13815	5.1
267.15848	29.2
285.16895	10.3
289.43555	2.6
311.12778	6.7
337.20074	37.9
339.19492	9.9
343.15344	4.0
357.20535	8.3
405.22504	5.3
413.23087	2.7
431.24255	29.4
449.25339	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.1
55.05503	0.2
56.05025	0.7
58.06610	0.4
60.08153	6.8
63.84210	0.1
67.05488	0.6
69.07048	0.1
70.06588	0.3
71.07359	3.0
71.08606	0.2
71.50932	0.3
79.05478	0.4
81.07034	0.5
83.04974	0.1
83.08589	0.2
86.09690	32.3
87.10030	0.2
91.05465	0.4
93.07034	0.4
95.04950	0.2
95.08611	0.3
97.06563	0.2
98.98444	3.1
102.12162	0.2
104.10723	4.2
105.07007	0.2
107.08578	0.4
109.10123	0.2
116.95089	0.1
119.08588	0.3
121.10139	0.2
124.99979	22.2
131.08478	0.1
133.10130	0.2
135.11797	0.1
143.01077	0.4
166.02634	0.1
184.07310	100.0
185.07689	0.8
198.84274	0.1
226.24197	0.1
254.50453	0.1
258.11075	0.2
308.54868	0.1
378.95862	0.1
516.30664	1.2
534.31842	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
56.05023	1.5
57.03435	0.4
58.06597	1.6
58.95682	0.4
59.32938	0.3
60.08156	16.6
66.47035	0.3
67.05495	2.0
69.07062	1.1
69.73267	1.6
69.73701	1.4
70.06577	0.4
71.07369	6.0
71.08613	1.3
71.21242	0.4
79.05472	2.7
81.03396	0.5
81.07059	2.0
83.04992	0.5
86.09696	51.1
91.05476	2.0
93.07037	2.2
94.07312	0.4
95.04953	0.6
95.08578	1.5
97.06521	0.9
98.98443	3.6
99.08096	0.7
100.96632	0.3
104.10730	100.0
105.07023	1.5
105.11105	0.5
107.04957	0.4
107.08566	0.9
109.10175	0.6
117.07026	0.5
119.08574	0.9
121.10150	0.6
124.99988	27.3
131.08553	0.6
133.10124	0.8
135.08122	0.4
136.99870	0.4
163.01604	0.6
179.14317	0.9
184.07324	91.0
185.07669	0.5
202.59006	0.4
205.29518	0.4
258.11020	1.0
351.25333	0.6
433.67499	0.4
516.30658	5.5
534.31885	27.6
535.31573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
55.01879	11.9
55.05497	9.3
57.03431	12.8
59.49216	2.3
60.08150	2.7
61.02922	3.9
65.03906	2.5
67.05496	26.4
68.99788	3.1
69.03434	4.0
69.07053	9.9
70.27522	12.8
71.04959	3.7
73.02925	5.2
77.03911	2.6
79.05487	42.3
80.05107	2.7
81.03008	2.6
81.03405	16.5
81.07045	87.4
83.04970	4.4
83.08605	5.9
85.02897	9.2
86.09695	14.0
86.60218	2.6
87.00833	6.0
91.05455	14.4
92.05852	2.7
93.07028	22.1
95.04957	8.1
95.08595	100.0
97.02877	4.7
97.06525	8.5
103.03934	4.5
104.10695	2.8
105.07012	26.1
107.04917	14.0
107.08578	7.1
109.02848	3.6
109.06483	4.5
109.10129	3.5
111.08078	3.4
117.06962	5.0
119.08569	11.1
121.06487	26.9
121.10117	5.2
123.08046	78.1
124.99968	6.4
125.09668	3.2
129.05466	3.0
131.08559	5.8
133.06483	7.2
133.10132	7.0
135.08076	6.8
137.09604	5.0
139.07538	3.9
141.09138	8.0
143.08490	3.0
147.08029	4.5
147.11609	3.6
149.05956	9.7
149.09547	4.6
151.07535	29.9
157.04990	4.0
157.09973	2.6
161.09641	8.4
163.07541	3.2
165.09096	4.2
165.12733	2.7
167.07007	7.9
173.09709	3.7
183.10139	12.5
184.07333	27.9
197.83923	2.3
199.14777	3.9
217.15936	6.3
225.11183	96.4
235.16946	4.7
239.12825	4.6
243.12161	18.8
245.15353	10.8
257.13818	3.7
260.77258	2.5
263.16437	10.4
293.21338	2.4
311.12726	4.1
319.19037	10.3
337.20053	74.4
534.30884	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.0
56.05024	1.7
57.03434	0.5
57.05810	1.0
57.22518	0.5
60.04221	0.8
60.04517	13.4
66.55700	0.5
69.03447	0.4
69.73829	0.9
69.74222	3.3
70.06579	3.0
72.08144	100.0
74.06061	3.2
82.64652	0.4
84.04472	1.4
84.08150	0.7
85.98027	0.5
86.09692	36.7
88.07645	0.5
98.06033	5.6
101.07155	0.8
102.05534	1.2
112.03947	2.2
114.09142	0.6
115.08687	0.6
116.07074	14.9
125.07207	0.5
126.05536	0.6
129.10211	0.5
138.09067	0.5
143.08122	5.7
150.05943	0.5
159.11328	1.5
161.09201	5.7
171.07631	18.0
173.12883	2.1
183.11299	1.0
185.16428	5.6
187.10789	0.7
187.14418	1.2
189.08687	8.0
189.10121	0.7
201.12363	0.7
213.15933	8.8
225.12300	2.7
242.14993	2.2
243.13519	0.6
245.21649	0.5
247.12885	14.0
270.14453	32.0
274.70029	0.5
284.16037	0.7
288.15500	20.4
313.10706	0.5
328.18976	0.7
346.19592	3.5
356.21808	0.9
370.06070	0.5
373.24466	2.3
383.23123	1.7
401.24039	4.2
532.51324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01455	1.6
53.03929	6.5
55.01866	14.8
55.05511	29.8
57.03435	14.3
57.07058	4.4
59.05012	2.1
65.03928	6.2
67.05498	98.7
68.59437	1.7
69.03419	5.0
69.07060	29.2
69.95283	6.2
69.95700	4.3
71.01363	1.7
71.04984	8.5
78.77016	1.7
79.05485	94.8
80.27496	1.6
81.03419	13.9
81.07047	88.5
83.04977	20.8
83.08613	18.6
85.02901	3.5
85.06525	6.2
91.05470	66.9
93.07036	100.0
95.04954	17.2
95.08597	52.9
97.06521	14.5
97.10144	10.8
99.08088	6.2
99.92189	1.5
103.03930	1.8
103.05483	2.6
105.07024	49.7
107.04956	15.5
107.08578	44.6
109.06517	12.1
109.10143	28.6
111.04437	18.4
111.08075	11.2
113.05993	2.6
115.05463	3.0
117.07008	25.7
119.08568	37.5
121.06503	6.1
121.10130	51.1
123.08072	9.1
123.11710	5.6
125.05962	2.1
125.09619	10.0
128.06122	2.7
129.05498	2.1
129.06966	10.5
130.07813	2.4
131.08551	35.1
133.06436	2.6
133.10127	28.0
135.08073	8.9
135.11682	26.6
137.09595	7.6
139.11194	7.1
141.07024	3.2
143.06999	2.5
143.08562	8.6
145.06477	6.3
145.10109	33.0
147.08043	5.4
147.11642	16.5
149.09608	19.6
149.13248	8.6
151.11201	7.8
153.12772	8.6
155.08563	8.8
155.10741	2.4
157.10117	11.0
159.07997	2.0
159.11707	17.8
161.09630	2.2
161.13229	2.6
163.07567	2.2
163.11192	22.2
165.09120	2.1
167.10701	3.9
169.10103	3.5
171.11678	10.6
173.09618	10.2
173.11855	2.8
173.13216	9.3
175.11186	4.0
175.14717	2.0
177.12646	2.5
181.12254	15.8
183.11674	6.0
185.09599	3.7
185.13284	4.7
187.11185	3.8
187.14893	3.0
189.11134	4.6
189.12735	3.1
189.16359	2.0
191.09120	2.1
191.10664	12.4
193.12196	2.5
195.11758	2.3
195.14125	1.9
197.13246	2.8
199.09500	2.1
199.14885	2.9
205.15805	1.8
209.11761	6.6
211.13190	3.4
211.14951	2.9
213.12886	3.2
213.16441	3.4
215.17859	8.5
227.12744	16.2
229.14276	3.6
231.17400	4.4
233.18958	8.8
241.14268	3.9
245.13730	3.4
247.16975	5.6
257.19049	3.4
261.18472	2.2
267.15942	3.4
269.17465	4.8
273.18503	2.1
275.20099	12.4
283.15350	18.6
289.21661	2.0
299.20071	2.7
301.16428	2.8
307.22629	10.3
321.20752	3.2
405.27823	5.3
423.28897	6.8
441.29953	7.0
459.30762	5.7
497.32541	6.5
515.33545	38.0
533.34637	64.3
534.34650	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58057	2.9
53.03931	7.8
55.01862	15.8
55.05506	31.5
56.94699	2.7
57.03423	14.2
57.07058	4.1
65.03928	6.9
66.72496	3.0
67.05498	90.7
69.03438	5.7
69.07059	68.3
69.59525	22.3
69.59936	6.8
71.04976	6.4
72.25234	3.1
73.06544	3.9
79.05486	92.5
81.03395	22.2
81.07050	100.0
83.04958	9.6
83.08605	18.4
85.06538	6.9
87.04453	4.7
91.05470	84.8
93.07034	86.9
95.04970	13.3
95.08595	71.5
97.06532	23.3
97.10150	12.9
105.07018	57.0
107.04955	5.2
107.08585	67.6
109.06505	10.4
109.10148	33.0
110.73566	3.0
111.04408	4.6
111.08078	6.0
113.09623	2.8
115.05434	6.4
117.06999	44.3
119.08565	54.9
121.06481	8.6
121.10130	31.1
123.08059	7.4
123.11703	10.3
125.05959	6.4
125.09629	37.4
129.07001	13.1
131.08559	40.5
133.06479	3.7
133.10115	39.7
135.08031	38.3
135.11674	20.3
137.09621	10.1
141.06989	5.5
142.07758	3.1
143.07025	39.4
143.08533	18.2
145.10133	35.3
147.08112	7.3
147.11679	20.1
149.09589	6.8
149.13277	11.4
153.09113	26.4
153.12729	4.3
155.08574	10.5
157.10124	17.7
159.11691	27.7
161.08115	12.2
161.09505	5.8
161.13263	20.3
163.07567	8.0
163.11247	5.4
163.14861	6.5
165.09111	6.7
169.10164	9.3
171.07944	4.7
171.11694	12.2
173.13254	13.4
175.14790	7.9
175.56252	2.8
177.12833	4.7
177.16464	2.9
181.08569	9.0
181.10106	6.3
181.12149	3.0
183.11716	9.9
185.13211	14.3
187.14803	12.8
189.12782	4.2
189.16440	3.9
195.11603	4.1
197.13242	8.4
199.09624	24.9
199.11234	5.0
199.14839	3.8
201.12668	3.6
209.13356	4.4
211.14783	6.8
213.16423	3.7
217.10802	4.6
223.14857	4.1
225.16359	3.4
227.12729	6.6
241.19501	4.5
243.21033	6.5
255.12241	19.7
255.21278	2.9
257.13968	2.8
257.19031	3.3
259.20551	7.6
261.22107	23.0
265.19638	3.2
273.22000	6.8
279.23254	3.5
281.22565	3.8
283.20593	4.9
289.25180	3.9
297.21912	4.1
299.23730	11.9
301.21570	6.0
315.23227	3.5
317.24704	7.7
319.22641	4.1
333.24356	5.1
335.25720	12.7
343.22705	4.4
377.28238	5.4
395.29449	12.5
405.27853	7.6
423.28818	13.5
441.29742	9.6
459.30826	5.9
487.34238	5.7
497.32608	37.2
498.32571	3.2
515.33234	82.3
516.33960	4.6
516.92352	3.6
533.34320	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.7
53.67074	2.4
54.05804	2.8
55.01859	11.7
55.05505	60.9
57.03426	12.0
57.07072	6.2
59.04997	2.6
61.86769	2.4
65.03948	5.1
67.05495	87.4
69.03424	4.5
69.07053	26.6
71.04990	8.3
79.05479	71.3
79.05922	4.7
81.03407	13.9
81.07043	80.0
83.04965	23.4
83.08609	32.4
85.06544	7.2
91.05465	66.3
93.07031	73.3
95.04939	21.7
95.08586	55.1
97.06505	10.6
97.10152	44.2
99.04444	2.7
105.07014	56.0
107.04929	9.4
107.08579	53.5
109.06495	9.6
109.10127	22.2
109.10657	2.3
111.04436	9.6
111.08086	11.3
112.35264	2.4
115.05432	5.0
117.07014	28.9
119.08575	40.7
121.06506	5.1
121.10123	26.6
123.08075	5.4
123.11696	10.5
125.09602	30.1
127.05394	2.6
129.06979	17.4
130.07799	5.2
131.08543	45.7
133.10112	37.2
135.08058	8.9
135.11661	28.0
137.09653	4.4
137.13254	3.1
141.06990	6.1
142.07741	5.7
143.08562	19.0
145.10098	35.2
147.08054	5.4
147.11671	20.8
149.09622	12.1
149.13251	8.6
153.09015	4.1
153.12715	8.0
155.08551	7.0
157.10146	15.2
159.08069	4.0
159.11691	22.9
161.09630	4.5
161.13216	7.9
163.11192	16.1
169.10118	9.4
171.10396	2.8
171.11687	19.6
173.09598	7.5
173.13272	11.9
175.11165	6.7
175.14818	4.6
177.12738	3.2
179.08606	2.9
181.12296	10.1
183.11694	9.9
185.13297	12.1
187.14819	9.0
189.11200	20.8
189.12697	4.2
191.10625	4.0
193.12184	4.8
195.11691	7.0
197.13235	6.0
199.14680	3.2
201.12834	3.2
201.16330	3.4
209.11653	6.4
209.13405	3.6
211.14870	6.0
213.16411	6.8
215.17998	10.1
223.14986	2.9
225.16345	3.7
227.12723	40.9
231.17445	8.4
233.19019	12.7
236.37291	2.9
237.16406	3.9
245.13760	7.1
245.19009	4.0
249.18576	4.1
251.20055	2.7
253.19559	8.8
255.17542	4.3
271.20596	20.1
283.15466	14.2
289.21655	11.6
291.19330	4.3
305.21127	5.8
307.22623	7.4
311.19968	3.7
325.21420	4.5
337.41763	3.1
339.23230	3.3
345.24301	3.1
387.26523	3.8
395.29333	4.0
405.27960	10.9
413.30450	4.3
423.28900	18.5
441.29874	13.9
459.30902	10.5
487.34167	6.8
497.32568	20.7
515.33624	100.0
516.33984	6.1
533.34692	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.2
53.84616	2.6
55.01862	12.4
55.05502	36.5
57.03419	19.5
57.07062	3.8
59.43992	2.0
65.03920	4.0
67.05494	86.6
69.03416	4.3
69.07059	33.9
71.04971	8.5
71.08628	2.6
78.71859	2.9
79.05019	3.7
79.05481	91.2
81.03403	13.3
81.07040	99.5
83.04971	9.5
83.08611	18.0
85.02892	3.6
85.06520	4.9
87.87846	1.9
91.05463	67.0
93.07028	100.0
95.04958	18.7
95.08596	77.4
97.02887	4.8
97.06515	19.2
97.10157	5.1
98.90313	2.0
99.04406	2.8
99.08078	6.0
103.05421	2.7
105.07011	46.4
107.04952	12.4
107.08571	56.7
109.06494	10.9
109.10122	24.0
111.04428	3.2
111.08064	6.4
113.06046	3.2
117.06997	30.4
119.08566	40.7
121.06497	8.8
121.10125	37.7
123.08076	11.0
123.11690	10.2
125.09631	7.4
129.05452	3.0
129.06992	9.8
130.07692	3.2
131.08560	26.4
133.06427	3.9
133.10103	25.4
135.08023	16.4
135.10733	4.4
135.11679	42.3
137.09586	8.0
139.07600	2.4
139.11194	4.2
141.06947	3.8
143.07030	6.9
143.08490	10.5
145.06461	3.7
145.10106	29.2
147.07974	5.9
147.11655	15.2
149.09575	7.3
149.13216	12.8
151.07512	4.2
153.09041	5.7
155.08522	5.3
157.10110	10.6
159.08081	2.6
159.11673	14.6
161.09581	4.7
161.13223	7.1
163.07520	8.7
163.11171	31.4
163.14748	2.6
165.09085	2.8
169.10115	5.8
171.11661	8.6
173.13245	11.1
174.50923	2.2
175.14841	4.7
177.12729	3.7
181.08612	5.0
181.10039	4.5
181.12186	4.9
183.10202	3.1
183.11644	4.8
185.09512	2.8
185.13231	6.3
187.11139	3.9
187.14842	5.5
189.09186	2.1
189.12749	3.6
195.11690	2.6
197.13304	4.1
199.09624	6.7
199.11230	3.7
205.19502	3.7
213.12624	3.6
215.17903	14.5
227.12740	54.1
233.18973	17.9
247.16975	2.8
255.12238	6.4
259.20679	3.9
261.22165	6.2
271.20514	3.2
277.21732	3.9
283.15341	19.7
285.18256	2.4
289.21643	4.6
291.19400	2.8
299.23792	3.0
307.22629	43.9
315.23148	3.9
327.23010	3.8
335.25662	4.5
338.27475	5.2
387.26563	2.7
395.29590	6.2
405.27866	6.0
423.28796	12.1
441.30142	11.4
489.32004	4.1
497.32535	13.5
515.33508	54.8
533.34589	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01862	7.9
55.05500	14.6
57.03434	10.8
57.07072	3.9
65.03915	4.9
67.05128	2.9
67.05497	60.1
69.03419	2.8
69.07063	13.1
69.55905	3.0
69.56313	9.8
71.04988	6.8
79.05482	69.7
79.51465	1.5
81.03416	5.0
81.07044	56.0
83.04958	4.1
83.08606	6.1
85.02857	1.8
85.06541	2.5
91.05466	39.7
93.07034	58.6
94.98309	1.4
95.04933	7.1
95.08596	43.8
97.02879	6.3
97.06517	4.2
97.10175	2.4
99.00807	2.6
99.04439	13.3
99.08064	2.8
103.05494	1.8
104.47617	1.5
105.07030	19.0
107.04953	19.9
107.08580	68.6
109.02840	1.7
109.06507	3.4
109.10146	21.2
111.04419	4.2
111.08015	2.9
113.06078	1.3
115.05421	4.9
117.07008	44.9
119.08579	18.3
119.60703	1.5
121.06490	11.9
121.10131	21.4
123.08024	1.4
123.11685	7.7
125.09613	4.9
129.06956	1.7
131.08554	15.2
132.08784	1.8
133.10114	13.8
135.08037	72.4
135.11665	14.1
137.09645	2.5
137.13255	3.2
143.08524	1.6
145.06441	7.2
145.10117	12.3
147.11681	7.7
149.13235	11.8
153.09091	8.9
159.11678	7.9
161.13237	5.1
163.07532	58.8
163.14793	5.6
165.65723	1.4
168.54051	1.4
173.13278	5.2
175.14787	3.4
177.16373	3.2
181.08572	16.1
187.14835	4.9
199.09639	100.0
217.96152	1.6
243.21088	9.6
255.12238	65.4
261.22104	45.5
268.93140	1.7
279.23044	1.7
317.24799	10.3
330.53247	1.7
335.25775	58.1
349.93826	1.4
391.88330	1.8
441.29782	2.6
501.28760	1.7
515.33557	26.7
533.34082	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.0
55.05510	24.2
57.03419	9.0
57.07061	8.9
65.03918	5.6
67.05496	83.1
69.03406	9.8
69.07057	18.2
71.04976	6.6
71.06374	7.1
73.02894	3.8
79.05487	67.0
81.03395	13.8
81.07047	100.0
83.04977	6.7
83.08597	13.7
85.02895	15.7
91.05473	43.3
93.07033	87.1
95.04952	6.7
95.08591	69.6
97.02863	8.4
97.06521	6.6
97.10149	6.4
98.71611	2.8
99.04444	4.0
99.08064	3.7
105.07036	38.6
107.08572	47.4
109.02869	3.4
109.06478	7.0
109.10149	34.8
111.04372	3.0
111.08090	3.3
117.07005	16.4
119.08569	29.0
121.10123	52.0
123.11665	12.5
127.03890	6.4
129.07004	5.9
131.08536	29.9
132.26259	2.9
133.10127	24.2
134.19739	2.9
135.08061	3.0
135.11673	33.5
137.13269	4.1
141.06953	3.2
143.08537	7.0
145.04919	3.0
145.10100	22.8
147.07961	2.9
147.11699	17.4
149.09537	4.2
149.13251	24.4
155.08527	3.6
155.10768	3.2
157.10150	5.5
159.11678	22.3
161.13228	12.7
163.14790	13.7
165.12842	2.9
171.11659	3.8
173.09584	4.1
173.13245	23.3
175.14732	6.9
177.16399	5.7
185.13211	5.0
187.14767	12.2
191.14177	4.8
197.13286	5.3
233.22528	3.1
243.21133	28.7
261.22107	75.3
277.21649	4.9
289.21619	3.3
301.21341	3.0
303.23181	9.1
316.94995	3.1
335.25864	10.0
345.24478	4.4
351.23141	8.0
353.26828	18.5
369.24139	12.5
382.50110	2.9
387.25211	11.7
405.26340	14.8
423.27411	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	3.0
52.24350	2.1
53.03933	3.9
53.13677	2.2
54.22478	2.4
55.01858	2.4
55.05502	18.7
57.03427	11.9
57.07053	8.3
65.03912	5.4
67.05494	70.6
69.03422	3.7
69.07056	23.7
71.04970	6.5
71.75797	3.5
78.79532	2.1
79.05484	46.3
81.03403	21.4
81.07041	70.1
83.04953	18.8
83.08601	11.2
85.06509	9.8
91.05466	100.0
92.05798	3.3
93.07030	45.8
95.04967	11.6
95.08588	36.6
97.02904	4.5
97.06511	5.2
97.08334	2.4
97.10136	7.1
105.07012	49.7
107.04907	13.2
107.08579	28.3
109.06505	4.6
109.10143	19.6
111.08031	4.0
117.06993	18.6
119.08558	31.0
121.10133	22.6
123.07999	2.3
123.11697	8.7
128.06194	3.6
129.06967	6.0
131.08536	23.2
133.06474	5.8
133.10104	62.9
134.10461	11.2
135.08029	7.4
135.11671	19.8
141.06902	2.7
142.07724	2.3
143.08533	10.4
145.10124	15.3
147.08051	3.5
147.11652	7.6
149.09590	19.3
149.13210	7.7
150.09885	2.7
151.11137	4.9
152.00566	2.3
155.08530	5.2
157.10150	8.4
159.08076	2.4
159.11673	8.3
161.09598	14.6
161.13226	5.3
163.11153	3.3
169.10080	6.9
171.10181	5.0
171.11652	4.9
173.13248	11.0
177.09106	4.7
179.10623	9.0
181.10104	2.4
183.11604	3.6
185.13235	3.6
187.14751	4.6
189.11292	3.4
197.13290	4.2
211.14714	2.9
213.16435	2.8
243.21036	5.4
251.12633	7.0
253.14296	39.8
259.20541	2.5
261.22046	15.0
263.26202	2.4
285.21951	2.9
317.24695	3.0
335.25824	24.5
396.80045	2.5
403.29791	4.0
421.31122	5.2
439.32227	4.6
457.32751	3.3
501.35352	3.4
513.35657	36.4
531.36932	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.7
55.01856	4.8
55.05508	23.5
57.03426	8.6
57.07079	4.0
65.03938	2.9
67.05498	78.0
69.07064	21.6
69.55616	21.5
71.04984	4.1
76.64644	2.5
79.05485	100.0
81.03407	7.7
81.06599	3.8
81.07050	68.0
81.47441	2.1
83.04973	9.9
83.08604	12.7
85.06517	5.8
87.04454	5.9
87.45255	2.2
89.11969	2.2
91.05473	66.7
93.07037	93.5
95.04954	25.3
95.08596	48.4
95.65723	2.4
97.06509	7.2
97.10167	3.5
97.19297	2.4
99.08084	4.1
105.07021	46.1
107.04938	5.9
107.08584	24.7
108.08965	2.9
109.06493	6.3
109.10154	15.1
114.72584	2.2
115.05468	4.0
117.07021	14.4
119.08573	28.2
121.06500	3.5
121.10135	25.0
123.08059	7.2
123.11702	7.0
128.06158	2.7
129.06979	12.4
131.08562	16.3
131.44133	2.4
133.10100	23.7
135.11688	15.8
137.09586	2.4
143.08505	12.6
145.10121	20.4
147.11653	37.6
149.09586	3.5
149.13232	5.5
151.11176	3.6
157.10091	4.3
159.11690	13.0
161.13237	13.4
163.11139	4.3
169.10110	5.2
171.11652	24.5
173.13249	5.0
175.97537	2.5
183.11705	2.6
187.14822	3.2
189.12718	8.8
197.13194	4.8
200.79539	2.1
207.13802	19.2
215.17976	11.6
223.60289	2.3
233.18979	8.3
252.79556	2.7
281.17493	32.7
298.77753	2.5
307.22635	52.1
421.30960	4.4
439.31693	3.5
486.28793	2.7
513.35760	63.2
531.38483	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.2
55.01861	15.4
55.05501	27.7
57.03429	10.6
65.03936	5.1
67.05492	55.2
69.03415	9.0
69.07058	35.4
71.04971	8.7
71.14553	4.3
79.05482	64.0
81.03408	83.8
81.07043	100.0
83.04966	12.9
83.08601	21.1
85.02898	9.7
85.06519	4.0
91.05466	79.8
93.07032	47.8
95.04958	25.4
95.08597	45.6
97.02905	2.8
97.06514	25.5
97.10164	8.0
98.06875	2.3
99.08074	3.1
103.05447	3.4
105.07014	49.2
107.04934	16.2
107.08580	31.5
109.06499	40.4
109.10133	19.8
111.08086	6.1
115.05424	3.4
117.07008	24.9
119.08558	65.0
121.06486	9.3
121.10122	19.7
123.08049	10.2
123.11674	5.3
125.09627	5.6
128.06161	4.7
129.06978	15.4
131.08537	29.3
133.06464	5.6
133.10107	21.9
135.08031	16.3
135.11671	5.7
137.09587	24.5
141.06992	5.1
143.07018	4.5
143.08565	9.5
145.06447	2.6
145.10095	27.9
147.08028	9.6
147.11661	17.6
149.09647	20.3
149.13248	3.1
151.11150	6.4
155.08508	5.5
157.10097	14.8
158.60925	2.3
159.08037	4.8
159.11699	12.7
161.08066	2.6
161.09579	4.8
161.13243	4.0
163.11130	6.0
165.09091	16.7
165.12776	3.8
167.08487	3.9
169.10085	7.6
171.11668	7.0
173.09634	2.5
173.13217	5.6
175.11185	7.7
177.12755	3.2
179.10526	2.1
181.10197	3.1
183.11652	5.8
183.27530	2.2
185.13275	3.2
187.11203	4.6
187.14757	3.3
189.11179	3.3
189.12715	3.0
191.14255	2.2
193.12207	16.2
199.07538	2.3
199.11192	3.4
201.16389	6.8
211.13144	13.0
211.49237	2.1
219.17311	2.4
223.42923	1.9
227.12715	3.1
229.15894	8.2
229.19516	2.6
239.12735	11.8
239.17867	2.6
247.16888	18.6
247.20515	2.3
257.19064	8.4
265.17929	8.2
267.15802	12.0
270.06592	2.5
275.19989	28.4
285.16876	3.9
293.21347	3.4
321.20676	6.1
349.23755	6.4
421.27237	6.1
439.28607	5.2
457.29337	4.2
495.30893	4.2
513.32043	22.3
531.21387	2.9
531.23932	2.8
531.33093	50.3
532.33856	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3315
Annotation	Acinospesigenin B
Peak:m/z	Relative Intensity
53.03939	8.5
55.01859	10.6
55.05508	29.0
55.41265	3.0
57.03405	7.8
57.07069	4.2
65.03931	6.0
67.05501	81.3
68.43806	3.2
69.03420	3.4
69.07061	48.5
71.76158	3.1
72.89140	3.1
73.06525	3.9
79.05488	84.6
81.03404	7.5
81.06599	4.8
81.07047	76.5
83.04987	7.9
83.08600	13.4
85.06560	3.7
91.05475	68.4
93.06493	5.7
93.07041	70.6
93.07621	2.4
95.04958	15.7
95.08595	58.2
97.06526	15.6
97.10154	8.1
99.00823	6.5
103.05411	3.3
105.07018	79.6
107.04913	7.1
107.08582	41.2
109.06488	5.1
109.10127	23.1
115.05423	3.7
117.07003	24.4
119.08585	31.5
121.06512	7.3
121.10142	29.8
122.75156	3.0
123.08035	7.1
123.11652	5.0
125.06003	7.9
125.09608	5.1
128.06229	3.7
129.06999	12.3
131.08575	28.0
133.06473	24.4
133.10121	38.1
135.08017	9.4
135.11707	17.1
137.09631	5.6
141.06973	5.1
143.07016	11.4
143.08568	19.1
145.06384	4.6
145.10150	24.1
147.08028	6.1
147.11684	13.6
149.09636	8.3
149.13254	8.5
151.07526	22.4
151.11179	3.5
153.09062	4.5
155.08525	8.3
157.10123	12.0
159.07999	5.4
159.11685	18.9
161.09566	7.4
161.13269	9.6
163.11101	3.5
169.10123	10.4
171.11575	15.6
173.09627	7.8
173.13261	14.1
175.11249	3.5
179.07060	5.2
181.10132	5.9
183.11697	11.5
185.13193	8.9
187.10989	3.6
187.14853	3.4
189.12732	4.8
195.00296	52.0
197.13287	9.4
199.09641	6.0
199.14819	4.7
201.12761	4.9
207.11617	3.6
209.13269	4.0
211.14751	5.5
213.12724	5.8
241.19664	4.6
253.10574	6.1
259.20605	8.0
261.22183	8.2
266.27191	3.2
275.19864	3.9
277.21640	7.6
287.23538	3.2
297.35660	3.3
313.21652	6.9
315.23203	19.6
333.24319	4.7
335.25613	4.5
337.27411	11.6
375.26633	6.5
393.27844	20.0
395.29364	8.9
403.26318	3.6
411.28928	18.7
421.27075	17.4
439.28409	26.2
457.29675	8.1
485.32623	26.7
495.30624	17.0
503.33603	13.0
513.31976	65.0
531.27002	6.3
531.33002	100.0
531.40247	6.1
532.33606	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.2
55.01867	18.6
55.05505	26.7
55.14152	2.2
57.03404	8.9
57.07040	2.6
60.58928	1.9
65.03923	5.5
67.05498	59.5
69.03410	4.8
69.07063	35.7
69.76231	2.3
69.76559	15.2
69.85511	2.2
71.04976	7.9
71.08606	4.0
79.05018	3.1
79.05484	58.3
81.02933	3.4
81.03409	60.1
81.06600	3.9
81.07047	64.2
83.04961	12.1
83.08602	12.9
85.02865	6.2
85.06511	3.6
91.05472	100.0
93.07034	60.3
95.01286	6.9
95.04951	19.6
95.08594	46.0
97.02869	4.8
97.06510	25.3
97.10165	4.2
98.20686	3.8
99.08080	5.4
103.05451	3.4
105.07017	57.8
107.04951	19.2
107.08585	22.9
109.06495	9.6
109.10140	17.2
111.08042	4.8
115.05423	2.4
117.07007	25.2
119.07721	4.1
119.08568	66.9
121.06513	9.6
121.10119	25.3
123.04372	2.1
123.08066	7.3
123.11686	3.3
125.09576	4.2
129.06992	16.3
130.07784	2.7
131.08539	32.0
133.06471	3.9
133.10112	41.2
135.08067	11.2
135.11667	14.0
137.09586	20.2
141.06976	5.0
142.07878	2.3
143.06987	3.4
143.08562	10.7
145.06442	4.6
145.10106	26.5
147.08083	11.1
147.11673	26.9
149.09607	15.0
149.13246	3.9
151.07542	3.7
151.11143	3.5
155.08530	5.0
157.10184	11.8
159.07999	3.2
159.11673	13.4
161.09604	4.6
161.13243	6.0
163.11176	9.8
165.09117	14.9
167.08617	2.3
169.10071	5.1
171.11630	11.6
173.09503	2.2
173.13231	7.1
175.11153	6.9
175.14799	2.4
177.12798	4.1
179.14279	10.2
181.10056	4.5
183.10190	3.5
183.11717	6.6
185.09674	2.6
185.13225	6.0
187.11191	6.6
187.14850	3.7
189.11169	3.2
189.16371	2.0
191.10606	2.4
193.10185	3.0
193.12129	3.7
195.11858	2.8
195.13631	3.1
197.13242	3.8
199.11201	2.9
201.16374	5.7
203.17961	4.1
205.12222	2.3
211.14885	2.5
213.16316	10.9
219.13768	2.0
219.17400	5.5
225.16383	3.7
227.12717	8.5
229.15846	3.3
231.17354	10.0
239.12727	31.1
247.16890	2.9
257.19031	8.4
267.15927	3.2
269.17355	3.1
275.20059	45.9
283.15234	5.5
293.21033	5.8
299.19864	2.4
305.21042	6.4
313.21552	4.1
321.20789	2.8
349.23755	9.8
421.27072	5.5
453.84109	2.1
457.29443	3.1
479.14233	2.1
495.31149	3.4
513.32092	31.5
531.33087	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	2.2
53.03920	7.2
55.01867	11.1
55.05505	39.9
57.03417	10.8
57.07051	3.1
58.82811	1.7
65.03912	5.5
67.05495	86.7
69.03395	7.2
69.07059	52.7
71.04983	4.5
71.08598	2.3
71.21283	2.1
71.21630	3.7
71.64705	1.7
77.03909	2.9
79.05479	86.1
80.05791	2.1
81.03403	12.1
81.07044	86.8
81.07523	4.2
83.04963	11.0
83.08605	25.8
85.06517	4.6
91.04916	4.3
91.05465	66.1
93.07032	88.7
95.04957	21.1
95.08596	42.7
97.02871	8.7
97.06500	12.7
97.10146	17.6
99.00793	6.7
99.08084	3.2
103.05473	2.8
105.07011	56.1
107.04935	11.9
107.08578	42.9
107.25974	1.7
109.02856	5.1
109.06499	7.7
109.10140	21.6
111.04395	4.6
111.08040	7.6
117.07013	22.3
119.08556	35.1
121.06475	6.2
121.10126	47.9
123.04430	2.4
123.08033	5.3
123.11682	4.6
125.09610	15.9
128.06232	2.9
129.06978	13.9
131.08546	33.6
133.06462	6.0
133.09163	3.3
133.10107	45.9
135.08009	11.2
135.11658	16.0
137.09598	6.1
138.58942	1.9
139.11177	2.3
141.06970	3.5
142.07726	1.9
143.06960	4.2
143.08545	14.9
145.06459	4.7
145.10100	21.0
147.08006	11.4
147.11671	14.0
149.09579	11.7
149.13228	11.9
151.11165	5.6
154.07832	2.2
155.08524	6.9
157.10098	11.2
159.08011	2.8
159.11676	15.1
161.09583	15.8
161.13203	7.2
163.07466	2.1
163.11147	5.6
164.25493	1.9
165.09093	4.3
165.12830	2.0
169.10118	5.2
171.11703	9.7
173.09534	4.8
173.13220	8.2
175.11089	2.3
175.14879	2.0
177.09085	2.8
177.12672	3.7
178.85567	1.8
179.10669	6.6
181.10051	2.7
183.11690	7.5
185.13194	5.6
189.09010	6.2
189.11153	7.2
189.12704	3.3
189.16348	4.3
195.00322	3.5
195.11841	2.4
195.13773	6.9
197.11592	2.6
197.13213	2.6
199.11218	2.9
199.14763	6.0
201.12717	2.5
201.16348	3.5
213.12688	1.9
213.16350	5.1
215.17944	7.5
217.15775	5.4
223.13239	6.4
225.11169	6.2
227.12672	4.8
231.17284	2.4
233.18936	3.1
233.44513	2.1
235.14853	3.0
239.18076	2.4
245.15280	3.8
249.18434	3.7
257.18958	2.4
259.20590	3.5
269.17593	5.7
271.16968	2.8
273.18503	4.2
281.13721	5.8
285.18411	2.3
287.19980	4.2
291.19482	30.2
297.21933	2.1
299.14749	3.5
393.27838	7.1
411.28674	6.4
421.27045	11.4
429.30142	3.4
439.28317	14.4
457.29297	6.5
485.32440	10.1
495.30777	2.8
503.33707	8.0
513.31665	30.5
531.33008	100.0
532.32965	4.9
533.66669	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	2.2
53.03920	7.2
55.01867	11.1
55.05505	39.9
57.03417	10.8
57.07051	3.1
58.82811	1.7
65.03912	5.5
67.05495	86.7
69.03395	7.2
69.07059	52.7
71.04983	4.5
71.08598	2.3
71.21283	2.1
71.21630	3.7
71.64705	1.7
77.03909	2.9
79.05479	86.1
80.05791	2.1
81.03403	12.1
81.07044	86.8
81.07523	4.2
83.04963	11.0
83.08605	25.8
85.06517	4.6
91.04916	4.3
91.05465	66.1
93.07032	88.7
95.04957	21.1
95.08596	42.7
97.02871	8.7
97.06500	12.7
97.10146	17.6
99.00793	6.7
99.08084	3.2
103.05473	2.8
105.07011	56.1
107.04935	11.9
107.08578	42.9
107.25974	1.7
109.02856	5.1
109.06499	7.7
109.10140	21.6
111.04395	4.6
111.08040	7.6
117.07013	22.3
119.08556	35.1
121.06475	6.2
121.10126	47.9
123.04430	2.4
123.08033	5.3
123.11682	4.6
125.09610	15.9
128.06232	2.9
129.06978	13.9
131.08546	33.6
133.06462	6.0
133.09163	3.3
133.10107	45.9
135.08009	11.2
135.11658	16.0
137.09598	6.1
138.58942	1.9
139.11177	2.3
141.06970	3.5
142.07726	1.9
143.06960	4.2
143.08545	14.9
145.06459	4.7
145.10100	21.0
147.08006	11.4
147.11671	14.0
149.09579	11.7
149.13228	11.9
151.11165	5.6
154.07832	2.2
155.08524	6.9
157.10098	11.2
159.08011	2.8
159.11676	15.1
161.09583	15.8
161.13203	7.2
163.07466	2.1
163.11147	5.6
164.25493	1.9
165.09093	4.3
165.12830	2.0
169.10118	5.2
171.11703	9.7
173.09534	4.8
173.13220	8.2
175.11089	2.3
175.14879	2.0
177.09085	2.8
177.12672	3.7
178.85567	1.8
179.10669	6.6
181.10051	2.7
183.11690	7.5
185.13194	5.6
189.09010	6.2
189.11153	7.2
189.12704	3.3
189.16348	4.3
195.00322	3.5
195.11841	2.4
195.13773	6.9
197.11592	2.6
197.13213	2.6
199.11218	2.9
199.14763	6.0
201.12717	2.5
201.16348	3.5
213.12688	1.9
213.16350	5.1
215.17944	7.5
217.15775	5.4
223.13239	6.4
225.11169	6.2
227.12672	4.8
231.17284	2.4
233.18936	3.1
233.44513	2.1
235.14853	3.0
239.18076	2.4
245.15280	3.8
249.18434	3.7
257.18958	2.4
259.20590	3.5
269.17593	5.7
271.16968	2.8
273.18503	4.2
281.13721	5.8
285.18411	2.3
287.19980	4.2
291.19482	30.2
297.21933	2.1
299.14749	3.5
393.27838	7.1
411.28674	6.4
421.27045	11.4
429.30142	3.4
439.28317	14.4
457.29297	6.5
485.32440	10.1
495.30777	2.8
503.33707	8.0
513.31665	30.5
531.33008	100.0
532.32965	4.9
533.66669	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	3.1
55.05503	7.6
55.57500	2.5
57.03440	13.8
61.02928	3.8
67.05493	23.5
69.03413	8.3
69.07059	13.7
70.06570	15.1
71.04984	5.1
71.73895	3.9
71.74307	3.3
72.08151	7.9
79.05486	22.4
80.97408	2.2
81.03410	10.7
81.07031	21.7
83.04958	10.4
83.08614	8.6
84.04491	3.7
84.08117	5.0
85.02876	9.1
86.09699	19.4
87.04382	2.5
91.05486	17.8
93.07031	26.7
95.04968	9.2
95.08591	11.2
97.02873	15.6
97.06532	8.5
99.04430	3.8
103.03924	3.0
103.05458	3.4
105.06994	6.5
107.04971	7.5
107.08564	19.1
109.02844	3.0
109.06521	4.9
109.10160	14.9
111.04407	18.7
117.07006	5.7
119.08567	10.4
121.10132	31.9
123.11716	3.3
125.05965	2.7
125.09600	3.9
127.03967	3.4
131.04918	10.4
131.08560	8.8
131.28261	2.2
135.08023	2.6
135.11661	13.1
139.11206	6.3
145.10120	11.4
147.08026	2.3
149.09602	11.4
151.26074	2.1
161.09683	2.3
163.11156	9.9
167.10699	4.3
173.09512	4.7
173.11710	3.1
181.12198	4.8
191.10687	10.0
203.12817	2.5
209.11711	72.1
210.12030	2.6
227.12694	19.6
228.12778	2.8
229.14322	6.4
241.14343	18.8
265.14395	7.3
279.11777	3.6
283.15393	100.0
297.17029	3.3
301.16422	55.1
363.98999	2.9
375.11777	3.7
400.13565	8.5
445.20477	3.1
513.02380	2.7
530.20844	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01863	1.1
55.05508	2.0
67.05495	16.0
69.03403	3.0
69.07064	1.4
70.45055	3.7
71.04984	1.6
71.23698	0.9
79.05491	2.0
81.03410	13.2
81.07057	10.1
81.51071	0.9
85.02849	1.7
93.07040	2.9
94.82104	1.1
95.04954	3.5
95.08604	5.5
97.02879	3.7
97.06503	1.2
107.08588	2.5
109.02875	12.4
109.06525	1.6
109.09393	2.3
109.10144	38.9
111.04408	1.3
111.11302	1.1
113.81686	1.0
117.51408	0.9
118.18211	1.2
119.08588	2.6
125.06005	1.0
127.03903	4.5
135.08055	1.4
137.09595	100.0
141.25746	1.1
151.03929	1.5
155.10623	4.2
165.09100	91.1
174.03732	0.9
183.10197	6.7
201.11191	6.6
279.19260	1.0
288.51050	1.0
291.12067	5.1
309.13260	21.1
309.16577	1.7
327.14334	5.4
362.30939	1.2
496.72562	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68514	0.7
52.36872	0.8
53.03939	2.6
55.01840	0.9
55.05500	2.5
57.03420	0.8
57.21169	1.0
58.78805	0.8
61.02906	0.8
63.85477	0.8
67.05493	15.7
69.03416	3.9
69.07038	1.8
70.06589	2.1
71.04954	1.4
71.74221	1.8
79.00126	0.9
79.05484	2.1
81.03412	11.5
81.07044	9.3
83.04990	1.0
84.04480	1.0
85.02893	2.6
86.09703	2.7
91.05465	2.4
93.07043	5.0
95.04960	4.5
95.08597	6.0
97.02895	4.5
97.06512	1.5
99.04432	2.0
107.08555	2.6
109.02872	15.1
109.06507	1.2
109.10149	39.0
119.08566	3.2
120.08041	1.1
121.10130	1.5
125.06013	1.4
127.03906	4.5
129.10185	1.1
133.10176	0.9
135.08055	1.6
137.09601	100.0
138.09956	1.0
146.70699	0.9
155.10623	5.0
159.11580	1.0
165.09105	99.8
166.09453	0.9
183.10194	7.5
201.11220	7.5
201.53796	1.1
263.12863	1.2
291.12219	10.0
303.22885	0.9
309.13293	30.1
313.11349	1.2
327.14310	5.9
350.77969	1.4
366.32208	1.0
511.59760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.1
55.01853	2.5
55.05504	21.1
57.03420	4.4
57.07069	3.3
65.03919	2.7
66.69346	1.7
67.05493	63.9
67.65662	1.4
69.03413	1.9
69.07059	18.6
70.06898	7.9
70.25082	1.2
71.04977	4.9
76.97884	1.5
77.29967	1.5
79.05019	3.0
79.05479	50.0
81.03410	5.9
81.07040	71.4
83.04966	2.4
83.08598	12.1
85.06541	1.9
91.05462	35.7
93.07028	59.2
95.04945	8.4
95.08589	34.2
97.06516	7.4
97.10135	3.1
99.08086	1.6
105.07004	22.9
107.04935	2.4
107.08575	32.8
109.06477	2.7
109.10133	13.4
111.08067	4.5
117.06992	10.2
119.08561	20.1
121.06507	1.8
121.10125	22.8
123.11674	4.4
129.06976	5.1
131.08554	19.4
133.10112	17.8
135.11667	12.2
143.08568	6.2
145.10097	12.7
147.11642	6.8
149.13223	17.3
151.11107	1.4
155.08514	3.6
157.10114	4.7
159.11649	14.1
161.13226	3.9
169.10129	2.9
171.11655	5.4
173.13254	7.8
175.14821	2.9
177.12700	3.7
181.10144	2.9
183.11649	2.9
185.13206	3.4
187.14832	4.5
195.13730	6.9
197.13289	2.4
199.14879	2.8
201.91167	1.5
237.16498	2.5
261.22174	4.0
269.17517	1.8
299.24097	1.7
317.24817	2.3
437.34436	6.9
455.35056	5.3
473.36118	2.1
511.37814	4.2
529.38818	100.0
530.39319	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01864	2.6
55.05507	19.2
55.06654	1.3
56.05057	1.4
56.89291	1.3
57.03425	8.3
57.07060	2.9
65.03925	3.5
67.05498	38.4
69.00477	1.2
69.03407	1.3
69.07061	18.8
70.10169	5.2
70.10584	2.8
71.04968	4.9
73.06541	1.4
74.08517	1.2
79.05486	39.4
81.03400	5.1
81.07043	41.2
83.04962	5.4
83.08609	9.8
85.06509	2.2
88.36079	1.2
91.05465	50.4
93.07032	34.0
95.04962	9.3
95.08591	22.4
97.06516	3.6
97.10150	5.8
99.08051	1.8
103.05383	1.9
105.06323	2.8
105.07014	38.2
107.04947	6.5
107.08582	19.8
109.06491	5.3
109.10133	9.7
111.08092	2.2
115.05429	2.9
115.86706	1.2
116.06259	1.6
117.07009	21.6
119.08569	34.0
121.06499	4.2
121.10126	14.4
123.08059	2.5
124.98153	1.2
125.09604	3.3
128.06229	7.1
129.05467	1.8
129.06992	22.1
130.07764	3.2
131.08549	30.5
133.06496	3.2
133.10107	28.5
135.08005	3.4
135.11693	7.0
137.06068	1.6
137.09637	2.7
141.06967	9.7
142.07751	4.7
143.08545	28.3
144.09299	1.5
145.06432	3.7
145.10112	28.5
147.08044	3.4
147.11679	17.0
149.09641	6.8
149.13237	3.9
153.06989	2.5
154.07751	2.5
154.15472	1.5
155.08539	17.9
156.09294	2.9
157.10103	21.5
159.08017	3.0
159.10393	1.9
159.11688	19.5
161.09589	4.6
161.13251	9.4
163.11140	2.7
165.06955	2.1
165.12788	1.7
167.08566	11.5
168.09346	4.1
169.10106	22.2
171.08165	1.6
171.11676	27.3
173.09584	3.3
173.13248	12.3
175.11208	3.6
175.14870	2.6
177.12671	1.9
179.08528	5.9
180.09297	2.6
181.10107	14.7
182.10867	3.3
183.11665	22.6
185.09621	3.4
185.13249	23.9
187.11165	3.9
187.14801	6.4
189.12750	4.6
189.16408	2.0
191.14305	2.5
193.10095	6.9
195.11636	15.1
196.12273	2.0
197.09605	1.7
197.13235	14.5
199.14777	8.7
201.12619	1.8
201.16368	2.4
203.14305	2.5
203.17981	1.7
205.10115	2.5
207.11629	7.1
207.13530	2.3
209.09525	1.7
209.13176	12.2
211.11092	2.4
211.14745	10.7
213.12888	1.9
213.16383	13.6
215.17950	2.1
219.11732	2.3
219.13768	2.3
221.13211	5.6
223.14859	7.3
225.12805	2.1
225.16443	2.9
227.17860	1.9
231.17371	13.9
231.21004	1.8
233.13246	3.6
235.14783	5.5
237.16295	3.9
239.14192	2.0
239.18001	2.7
241.19531	5.3
247.14722	2.9
247.17047	3.4
249.16383	2.2
251.12662	1.9
251.17967	2.2
253.14233	7.4
257.19064	1.4
259.20554	9.8
265.20007	1.7
279.15762	1.7
281.17447	3.8
283.20361	2.0
287.20047	1.8
289.19321	1.6
293.19067	1.6
295.20480	2.2
297.22171	1.9
305.21115	2.5
307.20602	3.5
309.22134	3.0
311.23566	2.0
313.21457	2.0
321.21957	4.5
323.23657	3.1
325.21487	3.4
333.24283	2.3
335.19864	2.4
335.23755	4.0
339.22971	4.5
353.24615	3.2
391.30029	8.8
401.28305	11.6
409.31033	14.6
417.26242	2.0
419.29385	38.6
420.29645	2.1
427.31946	2.2
437.30435	27.1
455.31467	14.4
456.32483	2.0
473.32434	3.4
475.31918	2.0
483.34619	2.9
484.92886	1.4
493.33081	9.2
501.35779	7.3
511.34134	100.0
512.34717	3.0
529.35107	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03169	3.1
53.03938	6.9
53.99022	2.4
55.01869	6.2
55.05505	25.7
57.03422	12.0
57.07062	3.8
58.73628	2.7
65.03925	4.8
67.05180	4.7
67.05499	59.6
67.87482	2.6
69.03407	4.0
69.07059	23.5
71.04974	8.0
71.75880	4.8
79.05489	47.1
81.03407	12.8
81.07047	62.9
83.04964	7.3
83.08622	14.8
83.09023	2.7
85.06553	3.2
91.05465	63.4
93.07038	47.3
95.04952	11.9
95.08599	38.0
97.06532	10.8
97.10156	7.1
101.68919	3.0
105.07028	45.5
107.04928	12.8
107.08588	24.2
109.06490	8.7
109.10124	14.3
115.05407	2.9
117.06986	19.1
119.08563	36.6
121.10135	19.3
123.08035	6.9
125.09635	3.4
128.06187	6.7
129.07007	23.3
131.08560	40.2
132.08821	2.8
133.06471	4.7
133.10088	25.6
135.08017	4.9
135.11662	14.1
137.09589	4.1
139.11240	3.0
141.06995	8.1
142.07759	4.5
143.08553	30.8
145.06532	4.8
145.10121	28.0
147.08028	6.9
147.11638	21.4
149.09619	5.0
149.13252	8.9
153.18221	2.8
155.08530	27.3
157.10112	26.2
159.07953	6.0
159.11674	21.8
160.87195	2.7
161.09576	5.5
161.13220	8.2
163.11183	3.6
163.14761	3.6
165.06987	3.7
166.62781	2.6
167.08569	7.8
169.10114	19.1
171.07961	3.6
171.10429	3.9
171.11681	23.6
173.09581	4.9
173.13240	12.2
175.11244	4.2
175.14760	6.7
181.10124	14.8
183.11740	18.6
184.92209	3.5
185.09540	3.1
185.13193	26.9
187.14812	11.1
193.10172	3.7
195.11697	14.4
197.13219	16.1
199.11264	3.7
199.14833	8.2
207.11603	4.7
207.13765	3.1
209.13295	14.0
211.14847	9.0
213.12721	2.8
213.16353	10.9
221.13269	3.5
223.14806	10.9
225.16406	5.3
229.15826	2.9
231.17422	11.8
235.14859	7.0
237.16431	5.1
241.19458	5.4
249.16426	3.7
251.18057	3.0
253.14384	4.4
259.20541	9.4
277.19284	4.5
309.21841	3.3
313.21609	3.0
325.21631	4.5
333.24484	3.4
335.23511	3.3
391.29977	11.1
401.28339	10.3
409.31049	17.1
419.29538	28.3
427.32028	4.0
437.30460	27.0
455.31403	12.7
493.32861	10.9
501.35449	6.1
511.34241	100.0
512.34058	4.1
529.34906	63.7
530.34259	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.4
56.23509	0.8
57.07066	29.7
58.32487	0.8
61.92508	0.8
67.05494	5.8
69.07052	3.3
71.04979	0.8
71.08242	1.7
71.08620	31.4
71.75113	1.4
73.06547	8.5
79.05485	4.2
80.05798	1.1
80.80173	1.0
81.03410	1.8
81.07044	5.1
82.07346	1.3
83.08605	5.2
85.10168	25.9
87.04457	4.7
89.06020	100.0
91.05477	4.4
93.07021	5.3
95.08588	3.8
97.10183	2.2
98.10394	0.9
99.11710	2.1
105.07012	2.7
107.07052	4.8
107.08565	2.6
108.08861	1.0
109.10159	1.4
117.07021	1.8
117.09100	6.3
119.08541	1.6
121.10107	2.0
129.06989	0.8
130.08630	3.2
131.07071	1.0
131.08542	3.0
133.08591	52.5
133.10138	2.0
135.11656	1.1
141.16394	4.6
143.08527	2.1
144.08928	1.2
145.10115	2.3
146.10516	1.0
147.11685	1.4
157.10114	2.3
159.11740	1.4
161.11676	1.6
171.11662	1.3
173.13281	1.0
175.09583	1.1
177.11200	19.8
185.13194	1.2
185.18958	5.5
197.13176	1.0
213.16516	0.9
221.13817	4.2
223.14973	1.0
226.21565	1.1
229.21558	9.5
231.09436	0.9
239.14818	2.1
273.24222	5.6
276.59387	1.1
283.17462	2.6
327.20020	2.3
371.22809	6.9
436.32904	2.5
454.33884	1.6
467.35934	1.0
510.36462	2.3
511.38474	8.3
528.37476	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	6.0
55.05516	2.6
67.05484	4.6
68.80554	2.5
69.03427	3.9
70.06574	8.7
71.74808	3.5
72.08146	3.6
74.39575	2.7
79.05479	6.9
81.03429	3.7
81.07024	5.5
83.04981	2.7
84.08120	4.1
86.09693	6.2
90.79250	2.6
91.05480	6.0
92.29155	2.6
93.07028	4.1
95.08614	3.9
96.08084	3.5
97.02889	3.8
97.06521	7.0
105.07018	6.2
106.59563	2.8
107.08635	3.5
108.08109	3.7
109.06503	3.8
109.61740	2.8
110.06036	7.4
119.08595	3.6
124.07584	51.1
125.08364	4.3
126.09147	45.8
127.03892	3.1
136.11205	3.1
137.09648	5.5
138.05458	8.6
138.09174	3.1
145.07597	4.3
147.08102	3.2
154.60486	2.4
158.06012	2.8
158.08316	6.1
160.07646	5.0
164.07027	3.5
164.10678	12.6
165.09084	4.5
166.04965	3.6
167.03395	5.0
171.05580	4.9
171.09167	7.5
172.07552	3.7
173.07106	2.9
173.10880	3.0
174.09180	7.8
175.08672	3.0
179.69722	2.6
184.06035	8.1
184.07518	3.4
185.07051	7.6
186.07872	3.2
189.10223	2.9
192.10178	40.0
199.08672	10.7
200.09381	4.4
201.06625	15.9
201.10246	9.1
203.08121	3.0
211.08682	4.9
213.06544	7.0
213.10144	4.0
215.04597	3.1
215.08109	8.6
217.09731	9.2
227.08194	11.9
229.06171	7.1
229.09708	11.3
230.06752	5.4
231.07727	4.3
231.11252	6.5
239.08185	3.1
241.05943	6.5
241.09781	10.3
243.07573	6.1
245.09229	16.8
255.07611	19.5
256.08426	12.9
257.05579	9.9
257.09201	100.0
259.07147	4.8
259.10904	4.7
261.08704	5.1
267.07480	3.1
269.09195	10.2
271.07016	3.2
272.07944	5.4
273.08624	34.9
274.09329	9.5
283.07126	41.2
283.10278	5.4
284.07828	6.0
285.08655	49.3
286.09265	13.8
287.10220	50.9
289.08191	4.1
295.55981	2.6
297.08658	9.8
298.09344	2.9
299.10379	14.8
301.08157	32.7
303.09821	12.0
303.33853	2.6
305.07639	4.9
315.09732	30.2
325.08069	8.2
327.09689	10.0
328.10260	3.2
329.07632	33.1
329.11307	20.5
335.13693	5.4
343.09189	18.5
345.10983	2.9
351.13333	28.9
357.10638	3.9
366.14304	2.7
391.18619	2.7
394.17474	3.6
395.11182	4.2
396.11624	8.9
422.17142	19.0
423.11838	9.1
424.18646	15.0
425.12521	2.9
426.20309	4.2
434.17059	2.7
436.14807	4.7
440.18146	4.9
450.16623	24.2
451.16190	3.7
452.18118	69.6
454.19693	51.1
464.13986	5.5
468.17743	20.1
478.15860	18.8
482.19278	29.7
492.13531	9.5
496.17184	84.7
510.18457	15.4
514.18134	11.5
528.14636	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23302	1.2
53.03942	1.6
55.01859	5.6
57.03435	7.5
57.75120	1.3
58.80256	1.4
61.02925	6.6
69.03415	21.9
69.03772	2.0
69.81068	9.0
70.03751	3.2
73.02912	6.5
74.03203	1.5
80.59691	1.5
81.03413	5.2
83.25364	1.5
85.02895	58.6
86.03241	8.6
86.34105	1.4
87.04449	2.1
91.03931	1.9
97.02875	16.8
98.03220	2.9
98.20773	2.2
99.04454	4.1
100.94501	1.3
101.00787	1.5
101.02367	3.3
109.02850	3.2
115.03886	2.8
119.01915	4.6
120.01942	1.7
121.01685	2.9
127.03899	26.1
128.04248	5.8
131.01898	2.5
133.03294	1.4
137.01880	3.1
143.01883	9.4
144.01982	2.5
145.01556	7.6
145.03381	2.4
145.04951	19.7
146.05296	4.0
149.01855	1.5
155.01913	4.6
157.01624	2.7
158.02286	2.3
158.03473	1.7
161.02950	9.4
162.03093	3.8
163.02658	12.7
167.01903	3.0
169.01680	1.4
173.02998	11.6
174.03125	3.8
175.02725	9.7
175.04453	4.2
179.02980	1.7
181.85025	1.4
183.04993	2.9
183.55122	4.0
184.04939	6.9
184.55281	4.9
185.02917	11.3
185.04292	2.4
186.03183	4.0
187.02666	10.7
187.04224	1.5
188.03171	3.2
192.05606	3.0
192.55644	2.4
193.03851	1.4
193.05502	5.9
193.55687	3.5
197.03058	4.4
199.02792	2.1
203.03722	3.9
203.05537	10.3
204.04010	3.2
205.03714	12.3
206.04173	2.0
215.03944	4.2
216.04172	1.9
217.03793	2.0
227.04082	2.2
235.04826	2.7
245.04997	25.6
246.05147	8.6
247.04842	21.9
248.05226	6.8
254.05672	4.5
256.06982	2.7
256.57172	2.7
257.05035	4.0
259.05075	1.5
263.06088	7.4
264.06107	2.1
264.57816	3.5
265.06000	5.6
265.57800	7.8
273.08206	2.4
273.58356	4.1
274.08188	12.4
274.58328	12.8
275.05801	8.9
275.08475	4.4
276.06171	2.2
277.06006	3.3
305.07193	6.7
340.39923	1.5
347.08292	1.8
365.10507	100.0
366.10007	4.8
367.09299	7.4
368.09641	3.4
425.11346	1.7
426.11703	2.4
427.11285	6.0
428.11816	3.9
527.15790	87.2
528.15961	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.4
57.07070	59.0
67.05479	2.0
69.07053	8.9
71.08623	56.6
71.48730	2.7
73.06542	5.4
78.81035	1.3
79.05507	1.8
81.07059	1.9
83.08600	4.4
83.46770	1.1
85.10171	33.5
87.04458	4.3
89.06021	100.0
96.46196	1.3
97.10159	4.0
99.11730	7.2
107.07066	3.7
108.63912	1.3
109.10147	1.5
111.11728	4.5
113.13261	6.8
117.09110	3.3
124.13341	1.2
125.13278	3.3
127.14802	2.8
130.08621	3.0
133.08595	66.9
152.84686	1.5
175.79753	1.3
177.11201	27.3
183.21034	1.5
191.45070	1.3
195.12242	2.0
199.95485	1.3
221.13826	6.2
227.23825	2.0
239.14944	5.3
271.26361	4.0
283.17444	3.6
315.28906	5.6
327.20087	21.9
421.35187	1.9
478.56155	1.3
509.40469	17.2
526.42383	1.6
527.37604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55097	0.5
53.03937	1.0
55.01863	0.9
55.05503	0.7
67.05496	13.3
69.03416	3.1
69.07047	1.3
70.76879	1.7
71.04980	1.2
79.05493	1.8
81.03413	10.2
81.07038	7.7
81.07476	0.7
85.02894	2.1
91.05472	2.1
93.07050	2.8
95.04946	2.4
95.08595	4.6
97.02888	3.3
97.06516	0.9
99.04448	1.9
107.08560	2.6
109.02866	14.1
109.06507	1.6
109.10142	35.4
117.07024	0.6
119.04915	2.5
119.08562	2.1
121.10133	0.9
125.05962	2.0
127.03888	5.0
135.08051	1.1
137.09598	87.4
138.09962	0.8
147.04387	9.0
150.13135	0.5
155.10655	4.5
165.09097	100.0
166.09494	0.8
183.10130	8.5
201.11206	8.7
233.11682	1.7
245.11615	0.6
263.12747	1.1
291.12216	8.1
309.13287	31.5
310.13663	0.5
327.14377	9.1
340.30960	0.5
345.15344	1.1
348.70795	0.6
395.10965	1.1
438.69284	0.5
492.27200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01862	0.8
55.05504	2.0
57.03425	1.3
59.95980	0.6
65.03928	1.3
66.22932	0.6
67.05494	20.8
69.03424	4.7
69.07066	0.9
70.80459	2.4
71.04974	1.1
75.80697	0.6
79.05487	2.2
81.03407	18.2
81.07042	11.5
83.05001	1.2
84.04497	0.7
85.02888	3.9
91.05460	12.2
93.03397	1.0
93.07037	3.5
95.04945	9.8
95.08585	5.7
97.02884	5.2
97.06487	0.8
97.19727	0.6
99.04433	2.7
100.41739	0.6
103.05378	0.7
107.04945	5.6
107.08565	2.9
109.02859	9.3
109.06491	2.5
109.10139	47.4
109.47154	0.7
111.04395	0.8
119.04061	0.7
119.04928	18.6
119.08595	3.8
120.04456	6.0
121.06464	2.2
123.04417	26.0
125.04719	1.8
125.05972	1.6
127.03892	6.5
135.06789	0.9
136.07556	65.8
137.09593	100.0
138.09959	1.3
146.05984	1.1
147.04391	12.2
148.03928	1.6
148.07510	1.4
155.10672	4.6
160.07532	1.4
165.05460	51.8
165.09091	68.9
166.04973	14.5
178.08607	2.8
182.08105	98.1
182.46393	0.6
183.08475	1.0
183.10077	6.4
201.11214	8.8
224.09145	6.2
226.08543	1.0
242.51147	0.7
244.09683	1.5
272.09204	3.5
290.10135	2.2
291.12210	2.4
309.13208	6.8
318.16956	1.3
327.14355	9.2
410.78601	0.7
444.20023	0.7
472.19479	2.8
490.20828	3.2
508.21457	2.7
526.23059	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.3
55.05501	19.5
57.07055	9.5
59.04987	10.4
67.05489	28.6
69.03403	13.0
69.07053	27.4
70.06570	12.8
70.85938	20.8
71.04969	8.2
79.05477	17.4
81.03390	25.5
81.07048	100.0
83.04964	11.4
83.08612	8.7
85.02897	10.0
91.05466	24.2
93.07030	38.9
95.08596	74.6
97.02915	9.9
97.06540	18.0
97.10133	8.5
98.14535	7.2
105.07001	17.1
107.08586	29.8
109.02868	11.0
109.10156	44.0
111.11665	10.0
119.08552	10.4
121.10137	16.0
123.11704	37.4
135.08075	9.9
135.11685	20.6
137.06044	10.6
137.09608	14.4
137.13313	8.9
138.05482	15.5
143.08594	9.0
149.13211	10.1
151.14844	17.7
163.07516	7.6
163.14778	18.9
177.16440	7.4
185.84529	7.6
289.05261	22.3
291.26791	29.8
309.27841	19.1
395.11279	19.7
398.10120	9.9
423.10553	10.4
427.27811	8.4
445.20392	28.8
479.12924	8.8
507.12677	33.3
525.14099	17.7
525.23077	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01854	2.3
55.05505	1.5
57.03436	1.0
58.52452	0.6
59.89365	0.6
61.02915	0.7
62.64467	0.5
65.03930	1.7
67.05500	4.2
68.60160	0.5
69.03420	8.6
69.58089	5.3
71.04960	1.7
77.03892	0.6
79.05479	8.4
81.03407	8.2
81.07042	5.0
83.01305	0.7
83.04959	0.8
83.10361	0.6
85.02890	5.9
91.05459	21.4
93.07027	6.9
95.04948	3.5
95.08572	0.9
97.02871	10.7
97.06519	1.1
99.04437	3.1
103.05428	3.2
105.07004	10.8
107.04935	28.3
107.08573	2.5
109.02858	4.9
109.10147	0.9
115.05456	3.5
117.07008	7.2
119.04929	6.8
119.08552	4.6
121.06485	42.4
121.94724	0.5
122.06693	0.6
123.04414	2.8
127.03897	6.4
128.06206	4.6
129.05446	0.7
129.06982	10.6
130.07751	1.1
131.04898	1.2
131.08545	7.9
133.06461	5.3
135.04366	1.6
135.08012	2.8
137.05959	7.0
138.18596	0.5
139.82332	0.5
140.64372	0.6
141.06976	7.4
142.07753	4.7
143.08533	10.0
144.05632	1.0
144.09288	0.8
145.04919	2.5
145.06479	5.8
145.10103	4.5
147.04379	1.0
147.08011	2.7
149.05968	2.1
151.07487	0.9
152.06212	1.2
153.06967	4.4
154.07744	2.6
155.08519	16.8
157.06491	4.1
157.10107	11.0
158.07222	1.1
159.08057	4.8
159.11630	1.2
161.05956	1.9
161.09599	0.9
163.07509	1.4
165.01804	0.9
165.05458	11.9
165.06981	4.2
166.07744	3.1
167.08522	4.9
168.09323	6.6
169.06464	2.1
169.10103	5.3
170.10886	1.3
171.08034	3.7
171.11684	2.3
173.05948	1.9
173.09584	2.5
173.13222	1.3
175.07538	1.0
178.07753	2.0
179.07115	0.6
179.08450	2.7
180.09319	1.0
181.06502	2.0
181.10103	5.0
182.07306	0.7
183.02827	0.6
183.08102	5.4
183.11673	15.0
184.08655	0.7
184.12466	0.6
185.09596	4.5
185.13219	0.7
187.07521	1.8
187.11145	1.4
191.06993	0.7
193.10101	5.7
195.08035	4.0
195.11615	0.8
196.08762	0.9
197.09575	6.3
198.10382	3.2
199.11108	5.5
201.09128	5.3
201.12718	3.4
202.07721	0.9
205.10135	1.4
207.08058	1.1
207.11581	0.7
209.09590	3.9
211.11189	7.7
213.09038	1.2
215.08701	0.9
215.10643	2.3
217.12201	0.7
218.07210	1.0
219.08090	1.6
219.11604	0.8
220.08754	0.6
221.09563	2.7
223.11185	2.0
227.10626	1.9
229.10117	1.3
229.12180	21.6
231.08022	0.9
232.08791	1.8
233.09583	4.0
234.10225	0.9
235.11110	2.4
237.12819	0.9
243.11740	1.2
245.09514	1.6
246.10347	1.5
247.11137	4.1
248.11877	1.0
249.12750	0.9
255.11668	0.8
256.12369	0.7
257.09521	1.5
258.10342	0.7
259.11124	2.1
260.11874	1.8
261.09094	1.4
261.12711	4.5
261.16446	0.8
263.14273	2.6
269.09445	0.9
271.11124	1.3
271.14758	0.9
274.13370	1.6
275.10617	1.2
275.14130	1.1
279.08716	1.0
281.10229	0.7
284.11877	1.4
289.12271	2.1
289.15787	12.9
298.04694	0.8
299.14221	5.3
317.15308	26.8
318.15848	0.8
335.16357	100.0
336.16599	1.6
337.14426	0.7
345.14813	0.9
363.15744	3.8
381.16980	1.2
395.11087	2.3
423.10855	0.8
479.20581	0.8
489.18784	1.0
507.12546	4.1
507.20035	3.5
525.13745	1.6
525.20935	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3706
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05505	0.5
56.05025	1.3
57.03418	0.5
57.07070	3.3
58.06351	0.4
58.06599	1.4
59.07387	0.4
60.08156	16.9
62.50442	0.3
63.49141	0.3
67.05485	0.7
69.07056	0.3
70.06153	1.7
70.06551	0.7
71.07367	6.8
71.08610	2.3
76.75777	0.3
77.97667	0.3
81.03388	0.5
81.07060	1.4
83.08615	0.7
85.10181	0.9
86.09695	51.2
91.05399	0.3
92.23949	0.3
93.07024	0.4
95.08602	1.4
97.10157	0.5
98.98457	4.2
104.10728	99.3
105.11076	0.5
109.10118	0.6
121.10155	0.4
124.99986	28.7
143.00960	0.5
163.01532	0.9
175.36227	0.3
184.07320	100.0
185.07648	0.4
193.12180	0.5
194.12544	0.4
202.90331	0.3
258.08450	0.3
258.11002	1.2
272.69785	0.3
280.38531	0.3
284.95926	0.3
341.30530	2.1
506.35983	8.1
524.37073	24.0
525.37347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2102
Annotation	CHEBI:69823
Peak:m/z	Relative Intensity
52.71219	4.3
53.64023	4.1
55.05502	9.6
56.96550	15.9
66.53561	4.0
67.05479	19.2
68.52902	4.7
69.03420	5.6
69.07069	5.9
71.04981	4.7
79.05483	21.5
81.03410	9.4
81.07045	21.8
81.56995	4.2
83.04964	8.1
83.08596	5.2
84.96053	4.4
91.05468	14.9
93.07037	13.3
95.04958	8.3
95.08587	13.7
97.06508	12.0
98.97572	46.7
102.60696	4.9
105.07044	10.8
107.08597	8.5
109.10146	5.2
110.97598	6.0
111.04436	6.9
111.08054	4.4
112.99077	6.5
113.00938	4.2
116.98637	31.0
118.10345	4.6
119.08572	14.0
120.08065	6.9
121.10130	9.6
128.98602	8.2
131.00180	6.4
131.08559	8.4
134.99652	21.8
135.11601	5.9
136.07544	5.6
138.09158	9.1
145.10245	4.6
146.99690	6.6
149.01210	11.9
158.99675	18.7
159.03313	5.5
166.08658	15.1
173.01262	6.4
177.00652	24.3
178.10240	5.0
211.13277	8.3
219.01826	17.4
229.08510	6.4
237.02870	31.8
269.04214	6.0
279.03821	6.1
299.05322	6.6
303.01080	15.2
305.02585	7.1
355.14120	19.2
373.15268	13.2
383.22061	5.1
395.11200	32.8
397.15341	5.9
407.11560	5.4
421.09229	6.4
421.18710	10.9
423.10452	6.2
435.10605	5.9
439.19995	43.8
481.21213	38.7
507.12708	48.2
507.19882	56.0
525.13623	13.6
525.20667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.05500	8.4
57.03431	10.9
57.07073	30.6
67.05502	23.2
69.07053	11.7
69.52014	15.8
69.52441	9.9
71.08624	23.0
79.05503	16.7
81.03415	51.4
81.07050	28.2
83.04946	5.7
83.08621	18.6
85.02892	5.9
85.10165	12.5
89.47468	2.6
91.05466	13.3
92.14571	3.3
93.07034	9.4
95.04945	16.5
95.08591	28.8
97.02913	2.9
97.10143	5.7
98.21524	4.4
105.07008	8.3
107.08575	6.3
109.10145	11.2
113.39351	3.2
117.07067	4.0
119.08591	8.0
121.06522	3.8
121.10126	6.2
123.04417	4.5
123.11664	7.2
129.07010	6.8
131.08542	4.5
133.10121	4.1
135.14601	2.8
141.06796	2.5
147.11732	7.6
157.10085	9.4
172.95219	3.0
174.26689	3.0
175.11163	6.1
193.12224	100.0
203.98724	2.6
211.13286	13.0
239.23726	4.5
249.14871	3.6
267.15894	36.1
313.27310	50.2
416.28992	3.0
505.39029	27.3
523.23602	4.3
523.39697	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	31.9
57.03410	9.6
57.07069	49.2
63.88039	4.0
67.05498	44.9
69.03411	4.9
69.07059	30.8
70.06911	21.9
70.07334	5.3
71.04984	10.5
71.08629	42.0
79.05490	33.1
79.49981	4.3
81.03413	53.1
81.07042	58.8
83.04964	14.6
83.08612	40.0
85.02901	20.5
85.10169	19.5
85.89647	4.0
86.51629	4.4
91.05486	37.8
93.07035	28.1
95.04966	20.2
95.08611	39.0
97.10145	17.2
101.17146	4.1
105.07025	29.8
107.04949	7.7
107.08603	6.2
109.06487	5.2
109.10122	16.7
111.08067	8.4
119.08552	19.5
121.10114	14.2
123.11685	5.4
129.06996	9.6
131.08548	15.0
133.10100	12.5
147.11676	15.3
157.10149	9.0
165.12805	5.9
175.11241	21.3
193.12238	64.7
211.13287	59.2
239.23605	10.3
267.15970	29.0
313.27307	17.6
505.38702	16.6
523.39960	100.0
532.90863	4.6
544.81561	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.6
55.05494	29.6
57.03419	15.0
57.07069	66.1
57.23380	3.6
67.05495	43.1
69.07067	20.8
70.12834	9.1
70.13247	11.2
71.04961	6.1
71.08289	4.7
71.08621	52.4
79.05492	27.2
81.03400	81.8
81.07046	51.9
83.04956	14.3
83.08597	36.0
85.02887	21.9
85.10165	23.9
86.09695	14.9
91.05466	25.9
93.07030	23.1
95.04939	28.0
95.08603	49.0
97.06496	5.2
97.10141	10.1
103.10398	3.9
104.10711	23.7
105.07036	23.8
107.04948	8.2
107.08558	11.5
108.36146	3.7
109.10137	24.1
111.08031	11.7
113.14015	3.6
119.08571	17.3
121.10142	10.7
123.07985	4.4
123.11689	11.7
129.06982	8.8
131.08536	16.3
133.06412	5.9
133.10114	7.3
136.38667	3.9
147.11638	11.5
149.09581	7.1
157.10072	11.0
159.28386	3.8
163.11115	3.9
165.12701	4.7
175.11142	19.0
184.07288	23.3
193.12215	69.6
211.13261	46.5
229.14403	4.7
231.03419	3.7
239.23645	11.0
267.15829	40.8
313.27325	36.9
346.14142	4.1
371.43484	4.2
452.30313	4.5
505.38702	23.9
523.32544	5.3
523.39899	100.0
524.37561	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01863	1.7
55.05507	17.5
57.03429	9.1
57.07069	45.0
59.04993	0.9
65.03926	2.4
67.05495	32.8
69.03416	2.4
69.07061	13.0
69.62346	6.2
71.04985	5.8
71.08622	33.9
79.05481	18.6
81.03406	49.1
81.07043	39.2
81.07533	1.0
83.04969	10.0
83.08607	27.5
85.02374	1.3
85.02892	22.5
85.06541	1.6
85.10168	18.1
91.05461	22.0
93.06481	1.4
93.07034	11.8
95.04951	21.9
95.08593	36.0
95.09194	1.9
97.02910	2.1
97.06508	2.7
97.10155	8.4
99.08086	2.0
99.11732	1.1
105.07021	15.1
107.04958	2.8
107.08578	5.6
109.06523	3.2
109.10141	14.6
111.04440	2.1
111.08067	7.6
111.11755	1.2
113.06019	2.3
117.07007	1.4
119.08562	14.5
121.10145	6.9
123.08107	2.1
123.11676	7.9
125.09676	0.9
128.06154	1.4
129.06984	8.6
131.08548	7.8
133.06453	1.5
133.10118	5.1
137.09627	1.4
137.13246	2.3
142.07767	1.4
147.08057	2.3
147.11650	10.3
149.09601	5.2
151.14857	1.1
157.10103	9.5
165.12668	2.1
165.16451	1.0
175.11168	10.9
184.07249	1.0
193.12213	51.8
211.13260	52.8
239.23663	6.7
249.14832	1.1
267.15863	8.6
285.16864	1.7
293.30252	0.8
313.27252	9.2
341.08392	0.8
505.39038	4.7
523.39893	100.0
524.40253	3.3
545.72314	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67174	0.7
53.03930	1.4
54.73676	0.7
55.01847	1.7
55.05502	17.1
57.02694	0.8
57.03429	6.8
57.07068	46.5
65.03926	2.2
67.05130	1.3
67.05495	30.3
69.03409	2.8
69.07057	14.0
71.04991	4.6
71.08620	33.3
78.91011	0.7
79.05478	15.8
79.89697	0.8
80.26801	0.7
81.03405	40.4
81.07043	38.9
81.07537	1.2
83.04975	9.7
83.08607	28.9
85.02893	25.1
85.06521	2.2
85.10172	18.0
91.05466	22.6
93.07030	10.5
95.04951	18.6
95.05567	0.8
95.08594	34.7
97.02282	0.8
97.02874	3.0
97.06512	3.2
97.10156	10.6
98.20658	2.3
99.08088	1.2
104.10556	0.7
105.07011	15.7
107.04929	4.4
107.08580	6.4
109.06490	3.5
109.10137	16.0
111.04429	1.6
111.08056	7.4
111.11694	1.8
113.05996	2.1
115.05482	0.9
117.07018	1.5
119.08553	13.7
121.06470	1.4
121.10121	6.5
123.08059	1.9
123.11698	6.3
125.09661	1.4
125.13226	1.0
127.07515	0.8
129.06989	8.8
131.08545	8.2
133.06523	1.8
133.10100	6.8
137.09586	1.3
137.13240	2.5
142.07774	1.8
145.10115	1.3
147.07971	1.0
147.11661	9.1
149.09622	5.2
157.10083	8.6
165.12706	2.8
165.16495	0.7
175.11150	12.2
193.12215	48.1
207.86688	0.9
211.13260	46.2
221.22702	1.0
229.14265	0.9
231.45152	0.8
239.23683	7.3
267.15912	7.0
285.17059	0.8
313.27335	8.4
337.55536	0.8
338.04642	0.8
375.63190	0.9
505.38998	4.1
523.39880	100.0
524.40363	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	7.3
55.05490	25.0
57.03435	6.7
67.05486	43.6
69.03413	14.7
69.07054	37.7
69.54599	46.6
70.06580	9.9
71.04984	7.0
79.05489	29.4
81.03393	21.0
81.07044	100.0
83.04982	13.3
83.08596	14.3
85.02894	23.1
85.06531	11.9
86.09695	13.3
89.02295	6.4
91.05463	23.1
93.07024	44.2
95.04952	15.5
95.08581	72.1
97.02901	9.9
97.06523	30.8
97.10130	7.9
98.06870	8.0
98.21472	12.2
99.04458	8.5
105.07005	31.7
107.04885	6.8
107.08584	42.4
109.02863	12.5
109.06527	8.4
109.10143	46.6
111.08006	7.6
119.08567	23.0
121.10129	30.6
123.11679	29.4
127.03926	14.7
131.08591	6.1
133.10117	12.2
135.08035	8.1
135.11647	23.0
137.05968	13.0
137.09595	9.4
137.13223	13.3
144.78143	6.2
145.10098	11.9
147.11626	20.4
149.09628	9.7
149.13232	26.2
159.11647	7.2
161.13234	6.8
163.03818	6.9
163.14763	7.5
173.13150	7.9
177.16425	6.6
181.12320	6.6
215.17964	8.0
240.43217	6.6
241.08841	6.7
243.49207	6.1
289.25131	13.1
307.26276	19.2
331.11737	7.2
363.08496	6.6
479.22556	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82081	0.5
53.03931	1.2
55.05495	0.7
56.21822	0.5
67.05499	12.5
69.03436	2.6
69.07050	1.2
70.88240	1.3
71.04983	0.7
79.05473	1.8
81.03413	6.9
81.06647	0.6
81.07043	5.7
83.04976	0.5
85.02870	1.3
91.05476	1.4
93.07033	2.1
95.04951	2.4
95.08601	4.7
97.02885	3.0
97.06515	1.0
97.10172	0.5
98.39127	0.5
98.98470	1.3
99.04436	1.6
104.94238	0.5
107.08569	1.8
109.02866	8.7
109.06503	1.2
109.10145	23.0
119.08538	1.9
121.10162	0.7
123.04418	9.1
125.05947	1.0
127.03903	5.2
133.02837	7.4
133.10199	0.6
135.04408	1.5
137.09601	50.1
151.03897	3.0
155.10654	3.1
165.07043	0.6
165.09099	40.1
179.03377	100.0
180.03755	1.1
183.10149	3.1
201.11206	3.7
277.21725	1.0
287.05569	0.6
291.12531	0.5
309.13266	4.4
327.14383	5.3
330.20853	0.5
343.11722	1.3
351.25186	1.9
366.60867	0.6
409.76129	0.5
523.24951	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.05504	1.0
67.05494	13.6
69.03404	3.4
69.07043	1.7
69.70339	6.2
71.04975	1.3
79.05477	2.4
81.03407	7.5
81.07048	8.0
83.04941	1.0
85.02877	2.3
86.33794	0.7
91.05443	1.8
93.07030	2.2
95.04944	3.7
95.08595	5.2
97.02891	4.8
97.06498	2.4
99.04414	1.7
100.14993	0.7
101.61121	0.7
107.08575	2.5
109.02864	8.8
109.06504	1.3
109.10140	33.3
115.07373	0.7
119.08567	2.3
121.10050	0.8
123.04417	11.2
125.05939	1.4
127.03908	5.5
133.02832	8.4
135.04393	2.2
135.08034	1.2
137.06055	1.3
137.09592	74.9
151.03870	3.4
155.10672	5.0
165.09093	70.3
165.39821	0.8
166.09447	0.9
174.15996	0.8
179.03369	100.0
180.03722	1.1
183.10138	6.3
201.11203	7.4
291.12161	1.6
309.13290	5.9
327.14258	5.8
343.11755	1.8
396.00937	0.7
463.91617	0.9
523.17523	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.7
56.05029	1.2
58.06602	1.7
59.61922	0.5
60.08158	17.5
62.27405	0.4
63.81175	0.4
67.05497	1.3
69.07063	3.0
71.07363	7.6
71.20093	0.5
71.20432	1.0
79.05470	0.6
81.07039	1.9
82.98335	0.5
83.08616	1.3
86.09698	52.0
91.78666	0.5
93.07027	0.9
95.08595	1.3
97.10149	0.7
98.98462	4.1
104.10733	100.0
105.11098	0.6
107.08582	0.7
109.10067	0.6
121.10141	0.9
124.99991	27.0
134.50854	0.5
135.11671	0.6
163.01503	0.6
184.07326	96.6
185.07849	0.6
258.11072	1.3
339.28854	0.8
398.59991	0.4
504.34470	8.0
522.35480	24.5
523.35767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.2
58.82833	5.0
67.05498	13.3
69.03407	12.0
69.07060	16.6
71.04981	19.2
71.74356	9.6
79.05490	21.9
81.03407	11.1
81.07046	100.0
85.02890	22.4
86.09663	6.5
87.00813	5.5
87.77689	4.6
91.05469	15.8
93.07036	44.6
95.08588	26.7
95.46001	4.8
97.02865	5.5
97.06511	10.0
99.04422	8.8
100.97679	4.5
105.01869	19.1
105.07024	47.1
107.08573	52.8
109.10155	50.2
119.08567	89.6
121.10133	16.3
123.11707	15.5
127.03908	11.9
127.11195	26.4
133.10132	38.9
135.11668	88.4
137.05952	11.0
137.09637	11.2
143.10637	11.2
145.10146	6.1
147.11655	30.8
149.13261	10.0
153.12750	11.7
161.13269	13.3
165.09149	5.8
168.88147	4.9
179.03366	12.6
203.17940	62.7
221.18971	48.9
231.04993	6.9
336.74738	5.0
522.13080	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
56.05029	0.5
58.06353	0.3
58.06601	0.4
60.08159	6.5
63.82624	0.2
67.05484	0.2
67.16842	0.2
67.22277	0.2
69.07059	0.3
71.07370	3.0
71.34379	0.2
71.34718	0.3
73.89558	0.2
81.07059	0.2
83.08647	0.2
86.09698	30.3
95.08606	0.2
98.21368	0.2
98.98449	3.0
104.10735	3.1
116.56093	0.2
124.99993	22.1
184.07329	100.0
185.07655	0.6
203.11725	0.2
253.17606	0.2
269.02338	0.2
339.28992	0.3
504.34531	0.9
522.35529	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
55.05503	10.9
56.53364	0.6
57.03424	7.7
57.07050	2.2
60.04518	0.9
65.03909	0.8
67.05135	1.2
67.05493	24.4
69.07061	14.0
69.40767	7.2
71.08607	0.7
72.63130	0.6
79.05479	8.0
81.07042	26.6
83.08603	7.3
85.06539	1.1
88.03985	6.7
91.05457	5.9
93.07033	7.4
95.08591	19.9
97.06508	1.2
97.10141	3.4
98.98437	4.7
102.62079	0.6
105.07010	2.8
106.05008	2.0
107.08567	4.0
109.10146	6.9
111.08060	1.2
119.08554	2.5
121.10130	2.9
123.11676	2.7
125.09557	0.6
133.10085	2.0
135.11624	1.5
137.09630	0.9
137.13298	1.1
137.25308	0.6
147.11681	1.7
149.13243	1.0
155.01041	0.8
161.13170	1.0
163.14790	0.8
163.62982	0.6
173.02055	0.9
184.07318	0.8
231.10199	0.7
263.23819	1.3
337.27316	100.0
338.27710	2.8
350.26932	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
53.32273	1.3
55.01861	3.4
55.05302	1.5
55.05508	15.2
57.03419	1.6
57.07064	28.2
65.03918	2.3
67.05496	30.2
68.12453	1.3
69.03416	1.9
69.07062	15.4
71.04984	2.9
71.08630	16.5
71.75509	1.9
79.05487	29.4
81.03401	7.0
81.07046	38.3
83.04974	3.2
83.08610	15.6
85.06534	1.4
85.10155	11.1
86.09695	2.1
91.05433	9.8
93.07034	34.7
95.04948	8.1
95.08591	51.5
97.02892	4.0
97.06525	4.6
97.10159	5.5
99.04459	3.6
99.08112	1.9
104.10733	2.5
105.07002	10.3
107.04951	7.6
107.08583	24.0
109.06535	3.6
109.10125	16.4
111.04414	2.5
111.11736	2.0
116.26063	1.4
117.06999	9.4
118.45712	1.4
119.08582	9.6
121.06495	4.9
121.10143	12.9
123.11695	3.9
125.06011	2.7
130.07814	1.8
131.08580	2.1
133.10138	4.3
135.07970	2.4
135.11673	38.5
139.07539	2.3
143.08597	2.4
145.10114	23.6
151.11174	1.7
163.11166	52.7
172.95230	2.2
173.09608	2.3
173.13297	1.6
181.12212	12.2
184.07339	3.6
191.10707	2.9
193.12312	2.2
209.11743	6.3
225.03220	1.5
227.12755	100.0
228.13113	2.4
239.23735	4.6
254.99199	1.3
262.61356	1.7
293.21008	1.7
503.36230	1.8
521.38422	67.5
522.22272	1.5
522.37604	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
53.48478	1.0
53.73303	1.0
55.01863	4.1
55.05510	19.6
57.03434	3.1
57.06786	1.8
57.07072	30.4
58.74823	1.0
65.03933	1.7
67.05498	29.6
69.07063	15.9
70.35822	4.7
70.59167	1.1
71.04983	2.8
71.08627	17.3
79.05490	26.0
81.03420	5.9
81.07046	34.5
83.04975	4.8
83.08611	18.0
85.02903	2.7
85.10169	10.8
91.05456	12.8
93.07039	37.9
95.04958	10.7
95.08598	49.8
97.02878	2.2
97.06528	3.2
97.10158	8.4
98.20778	1.3
99.04445	3.0
103.05457	1.6
105.07035	10.3
107.04958	9.7
107.08588	21.0
109.06509	3.0
109.10129	11.8
111.04414	2.4
111.08055	1.7
111.11729	2.4
113.05956	1.2
117.07014	9.5
119.08568	12.0
121.06474	5.6
121.10146	10.9
123.08094	2.3
123.11694	3.1
125.05998	2.7
125.09612	1.1
130.07765	2.4
131.08565	2.3
133.10124	3.7
135.08037	2.3
135.11685	39.7
136.11980	1.1
137.13257	1.9
145.10104	21.3
147.11620	1.3
153.12755	2.2
157.10130	1.5
163.11171	49.3
173.09612	2.1
181.12215	13.1
191.10762	1.2
193.12277	3.1
205.46747	1.0
209.11760	3.4
211.13284	3.3
220.42226	1.1
227.12759	100.0
228.13156	1.8
237.22188	1.8
239.23633	3.8
313.27576	1.2
521.38330	76.6
522.38617	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.8
52.81899	0.6
53.03915	2.0
55.01838	3.0
55.05504	13.7
57.03400	2.1
57.07072	27.1
59.24767	0.8
67.05497	24.7
69.03401	1.0
69.07061	11.3
70.45721	2.9
71.04958	2.2
71.08627	17.5
73.02879	1.5
79.05486	19.4
81.03399	4.9
81.07046	29.7
83.04967	3.4
83.08608	13.1
85.02863	0.8
85.06522	1.0
85.10177	9.5
86.09606	0.8
91.04996	0.8
91.05466	8.5
93.06425	0.9
93.07032	30.1
95.04961	9.0
95.08596	42.7
97.02836	2.9
97.06468	2.6
97.10167	4.9
99.04425	2.3
105.04541	0.9
105.07028	8.8
106.78548	0.7
107.04961	7.2
107.07923	1.3
107.08584	21.4
109.06490	1.7
109.10130	8.8
110.08646	0.8
111.04434	1.0
111.08049	1.0
111.11672	1.2
117.06995	7.9
119.08567	10.1
121.06502	4.4
121.10126	10.5
123.11655	3.4
125.06017	1.8
129.06970	1.2
130.07736	2.3
131.08542	1.5
133.10075	2.2
135.08031	1.8
135.11681	35.1
137.13193	1.2
139.07503	1.3
143.08539	1.0
145.10110	22.2
147.11707	1.0
148.81728	0.9
153.12709	1.4
163.11171	50.7
164.11340	1.1
173.09541	1.4
181.12231	11.5
193.12175	1.8
209.11714	3.3
227.12756	100.0
228.13106	1.0
239.23709	2.5
267.15848	1.3
311.25839	1.1
429.33746	1.6
503.37390	2.9
521.38361	62.4
522.38812	1.9
524.50262	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14950	0.1
55.05505	0.4
55.95083	0.1
56.05024	0.6
57.03430	0.2
57.07098	0.1
58.06622	0.5
59.07124	0.1
59.07398	0.2
59.92968	0.1
60.08157	6.5
60.57861	0.1
65.64329	0.1
67.05500	0.6
69.07061	0.3
70.06586	0.1
70.25320	0.3
71.07362	2.9
79.05482	0.2
80.08481	0.1
80.97437	0.1
81.07054	0.6
83.08620	0.2
86.09695	30.5
87.10036	0.2
91.05428	0.1
93.07051	0.2
95.08603	0.4
98.98450	3.1
100.74708	0.1
104.10725	2.8
107.08592	0.1
109.10149	0.1
124.99985	21.9
143.01009	0.3
155.40828	0.1
184.07320	100.0
185.07672	0.4
258.10919	0.2
281.76321	0.1
337.27362	0.1
343.47424	0.1
502.32788	0.8
520.33929	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67653	0.2
55.05499	1.2
56.05024	1.2
57.01794	0.2
57.03423	0.4
58.06567	1.4
58.11160	0.2
59.07384	0.3
60.08157	17.9
67.05499	3.1
69.07054	1.2
69.99908	1.0
70.06583	0.2
71.07363	7.0
71.10625	0.2
75.12260	0.2
79.05480	0.8
81.07047	2.5
83.08633	0.5
86.09695	51.8
91.05453	0.5
93.07037	0.6
95.08595	2.0
98.98457	3.7
104.10731	100.0
105.07047	0.3
107.08585	0.4
109.10139	0.6
119.08557	0.3
124.99990	28.8
133.10126	0.2
150.73906	0.2
163.01514	0.6
169.01924	0.2
181.02487	0.2
184.07324	96.9
185.07661	0.3
228.96652	0.2
258.11014	0.8
337.27463	0.7
443.25323	0.4
490.61786	0.2
502.32944	6.3
502.39438	0.2
520.33960	21.8
521.33643	0.4
532.67206	0.2
547.58795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53251	2.4
52.38591	2.1
53.03946	2.5
55.05504	65.9
57.03400	2.4
57.07055	3.5
59.04962	2.4
66.50803	2.1
66.92358	2.5
67.05476	7.7
67.91637	2.2
68.99754	2.3
69.03415	6.3
69.06689	2.1
69.07062	32.3
69.57671	15.7
71.04966	4.1
77.33334	2.5
79.05463	11.8
81.03404	2.7
81.07051	31.2
83.04962	5.9
83.08603	3.7
85.02879	6.1
85.06507	8.5
91.05405	9.9
93.07031	31.3
95.04961	4.5
95.08586	13.5
97.02879	3.4
97.06497	7.2
97.10139	9.2
99.04429	2.7
99.08064	7.8
105.01830	2.3
105.07009	21.9
107.08575	24.8
109.06505	19.1
109.10130	9.5
111.08038	2.6
111.11696	12.5
117.07002	2.7
118.34352	2.0
119.08560	15.2
121.10133	100.0
123.08108	4.9
123.11697	9.9
127.03923	2.4
127.07536	8.2
130.42549	1.9
131.08513	6.0
131.89537	1.9
133.10150	5.3
135.08035	2.5
135.11691	24.8
137.09637	3.2
137.13225	3.2
139.11162	19.9
143.55542	2.0
145.10121	15.9
147.11630	6.1
149.09526	2.9
151.11147	7.4
155.10681	3.1
159.11682	8.4
161.13213	9.8
163.11145	7.7
173.13268	2.9
177.12639	2.1
177.16367	9.5
201.16367	13.0
219.17383	35.1
237.18497	3.9
241.85826	3.0
246.81178	2.4
322.19360	2.1
415.03757	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.3
55.01874	4.7
55.05507	33.9
56.93142	1.7
57.07069	63.4
60.13691	2.0
60.17527	2.4
62.07125	1.7
65.03922	3.4
67.05499	78.3
67.80790	2.0
69.07066	31.2
69.41132	7.2
69.41560	16.7
71.04978	4.0
71.08625	37.6
73.06567	2.2
79.05486	79.4
79.19954	2.1
79.52148	2.1
81.03426	11.9
81.07047	67.4
83.04979	12.3
83.08609	30.3
85.06547	2.6
85.10168	18.0
91.05468	60.5
93.07037	66.7
95.04955	23.7
95.08601	60.8
97.06511	2.9
97.10170	17.8
98.21404	4.2
103.05460	3.0
105.07021	39.1
107.04940	8.9
107.08575	24.5
109.06522	7.6
109.10155	21.8
111.08109	2.9
111.11694	2.7
112.60912	2.2
117.07015	11.9
119.08562	25.7
121.06481	4.0
121.10131	8.9
123.08085	7.2
123.11703	6.9
128.06209	2.9
129.06996	16.6
131.08569	5.5
133.10107	13.6
135.11671	14.9
142.30730	2.2
143.08536	10.2
145.10117	18.5
147.08044	3.6
147.11671	32.6
161.09639	3.6
161.13225	12.8
163.11159	14.6
167.05504	2.0
171.11681	30.3
181.12227	4.5
189.12738	11.0
207.11911	1.6
207.13776	36.9
209.11697	3.3
225.14737	3.8
227.12759	24.7
237.22105	4.0
239.23680	7.7
281.17523	4.2
299.06033	2.1
386.21786	2.1
519.40924	100.0
525.78125	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.7
55.01851	3.9
55.05502	27.7
57.03430	11.3
57.07052	3.7
65.03909	4.6
67.05494	82.0
68.05811	1.8
69.03413	2.9
69.07057	21.8
70.07356	1.3
71.04986	5.8
71.08618	1.5
79.05481	46.2
80.05799	2.3
81.03407	42.2
81.07043	100.0
82.07381	2.7
83.04964	10.9
83.08606	22.5
85.02896	21.5
85.06512	3.4
85.10164	2.1
87.67319	1.2
91.05458	42.2
92.05756	1.1
93.07032	31.0
94.07328	2.1
95.04385	1.7
95.04954	22.8
95.08595	35.9
96.08926	1.9
97.02859	1.9
97.06502	5.4
97.10162	8.5
99.08063	8.3
103.05404	1.3
105.07014	27.4
106.07370	1.7
107.04925	4.9
107.07905	1.3
107.08577	14.0
108.08918	1.4
109.06517	5.1
109.10138	18.4
110.10487	1.2
111.04414	1.7
111.08058	8.2
111.11732	1.0
111.64355	1.3
113.06055	1.1
113.09591	3.0
115.05460	1.6
117.06974	4.2
119.08558	23.0
120.08852	1.7
121.06474	2.7
121.10124	16.6
123.08059	3.1
123.11690	14.4
125.09624	7.0
126.46181	1.1
129.07002	9.2
131.08569	12.1
132.08900	2.2
133.06497	2.6
133.10097	17.0
135.07983	2.0
135.11671	6.9
137.09560	4.5
137.13254	2.7
142.07738	1.4
143.08533	2.5
145.10100	5.1
146.10469	1.7
147.08009	3.8
147.10576	1.3
147.11659	17.7
148.12012	1.3
149.09590	5.0
149.13237	2.3
157.10121	11.7
159.11668	2.0
161.13219	4.7
165.12720	3.4
175.11150	11.8
175.14769	1.9
177.12790	1.1
184.07370	1.8
187.11063	1.2
193.12222	43.1
193.13997	2.3
194.12645	1.2
211.13269	42.5
217.19438	6.3
227.12743	1.9
235.20496	4.2
239.12433	1.2
266.37061	1.1
267.15952	5.2
275.23608	1.2
285.16873	3.3
299.06161	3.2
309.24069	3.5
315.19440	1.4
329.42560	1.0
377.93069	1.1
409.30832	2.4
424.77020	1.1
427.31427	6.2
445.32822	1.9
483.34198	1.2
501.35364	13.4
519.36639	81.5
520.37134	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.1
55.01865	8.9
55.05508	43.3
57.03439	17.8
57.03682	3.7
57.07062	13.4
67.05505	91.9
69.07069	41.2
71.04983	7.7
71.08608	6.1
71.55254	6.2
79.05489	65.2
81.03419	40.3
81.06599	6.6
81.07049	100.0
83.04967	9.5
83.08617	33.1
85.06544	5.4
85.10178	4.0
91.05446	45.3
93.07040	60.0
94.50652	3.4
95.04951	33.3
95.08601	64.9
96.47704	3.4
97.06525	11.8
97.10146	27.2
99.08066	3.5
105.07022	42.9
107.04960	15.5
107.08591	39.3
109.06477	8.6
109.10150	37.5
111.08070	12.1
117.07005	15.5
119.08562	42.6
121.06481	6.8
121.10128	30.7
123.08019	7.7
123.11724	11.8
125.09616	14.0
129.06989	8.5
131.08592	22.6
133.10107	23.2
134.63156	3.5
135.08089	8.8
135.11719	22.6
137.13261	5.4
140.69872	4.0
143.08543	8.1
145.10121	23.1
147.08038	7.1
147.11682	16.4
149.09608	8.9
149.13257	7.2
151.11230	3.5
151.46318	3.5
155.08548	4.3
157.10136	13.9
159.11690	8.8
161.09682	4.1
161.13272	13.1
163.11143	11.8
167.05482	8.0
171.11742	7.4
173.13243	9.5
175.11224	5.5
175.14769	9.5
177.12608	3.4
179.14264	5.2
181.10078	4.7
185.13292	6.8
187.14795	8.8
189.11224	9.0
193.12259	15.8
205.53267	3.6
209.11723	10.4
217.15831	4.8
217.19485	8.0
227.12816	13.7
233.18800	3.8
235.20566	7.9
257.22641	4.1
261.22180	6.7
267.15906	37.0
275.23645	8.4
289.21603	8.8
299.06134	10.0
309.24295	22.1
312.04230	3.6
391.30142	6.8
409.31180	18.1
427.32166	36.9
445.33215	22.8
501.35815	82.8
519.37280	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46961	0.3
55.05502	0.6
67.05492	0.6
69.03390	0.4
69.07056	0.7
70.06581	1.1
72.08128	0.8
72.61173	0.5
73.04752	0.8
79.05493	0.6
81.03408	0.8
81.07056	0.8
84.08139	0.7
86.09682	0.9
91.05848	1.9
93.07047	0.8
95.04941	0.5
96.88522	0.4
97.06510	0.7
105.07029	0.5
109.10146	0.6
112.64198	0.3
117.07029	0.5
120.08067	0.5
121.10165	0.5
137.05971	4.7
137.09642	0.5
151.07510	0.5
158.47517	0.3
161.05898	0.6
163.03879	0.5
167.05548	1.6
175.07559	0.6
187.07544	0.8
191.06953	0.5
213.09167	0.5
218.78893	0.5
259.09802	0.4
266.99738	0.4
267.08923	0.4
283.03268	0.6
283.06274	1.0
299.06067	3.5
344.97705	1.1
347.12906	0.7
357.18860	3.0
448.15128	1.2
459.21951	0.8
476.38919	0.4
487.21432	0.9
501.19351	0.7
519.24121	100.0
520.24432	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
53.71997	0.2
55.05501	1.0
56.05025	1.3
57.03419	0.6
58.06566	1.3
59.07384	0.4
60.08155	17.9
61.08483	0.3
67.05492	3.0
69.07055	1.2
70.06589	0.2
70.10549	1.0
71.07363	8.0
75.48686	0.2
79.05489	2.0
81.07040	2.4
83.08623	0.4
86.09694	55.4
87.10019	0.4
91.05448	1.1
93.07030	2.2
95.04953	0.3
95.08583	1.4
96.43378	0.2
98.21012	0.7
98.98454	4.3
104.10728	100.0
105.07010	0.7
105.11044	0.5
107.08563	0.9
109.10140	0.6
117.06993	0.4
119.08567	0.4
121.10111	0.6
124.99982	31.4
130.91826	0.2
131.08521	0.3
135.11720	0.3
163.01553	0.5
184.07318	99.3
185.07588	0.3
210.37469	0.2
240.10146	0.2
240.81567	0.2
258.11032	1.1
299.06097	0.3
335.25800	0.9
441.24020	0.4
459.17084	0.2
500.31284	8.2
512.73022	0.3
518.32355	18.2
519.32446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05027	0.5
57.03429	0.2
58.06625	0.4
59.07380	0.1
60.08157	6.9
67.05504	0.7
69.07056	0.3
70.06587	0.1
70.10922	0.4
71.07366	3.1
79.05479	0.5
80.97418	0.1
81.07034	0.8
84.08103	0.1
85.02853	0.1
86.09696	31.8
87.10035	0.2
91.05461	0.3
93.07027	0.4
95.04958	0.1
95.08604	0.4
98.97504	0.1
98.98454	3.1
104.10732	3.1
104.11433	0.2
105.07005	0.2
106.35631	0.1
107.08557	0.2
109.10144	0.2
116.99443	0.1
117.07008	0.1
119.08598	0.1
121.10145	0.1
124.99986	22.8
131.08553	0.1
133.10092	0.1
135.11635	0.1
143.01019	0.3
145.10120	0.1
151.94054	0.1
159.42461	0.1
166.02690	0.1
184.07323	100.0
185.07722	0.4
246.94080	0.1
258.10980	0.2
273.33917	0.1
282.61465	0.1
335.25772	0.2
394.59293	0.1
500.31131	1.0
518.25305	0.1
518.32190	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01866	1.7
55.05505	4.8
56.05031	0.9
57.03423	1.2
57.98787	0.7
58.99578	18.8
67.05501	4.8
69.03426	2.0
69.07066	1.7
70.06583	3.6
71.04983	0.8
72.08151	1.0
76.02219	100.0
76.03983	3.7
79.05488	4.8
80.04981	1.2
81.03404	17.9
81.07046	6.5
83.04971	6.8
83.08600	5.7
84.04495	26.8
84.08150	1.0
85.02899	1.6
86.09703	3.0
86.99034	3.9
88.02213	2.3
91.05439	5.6
93.07048	3.1
95.04963	5.0
95.08589	1.5
97.02868	1.3
97.06477	0.9
97.10140	0.8
102.05524	1.1
105.07013	5.4
107.04963	1.6
107.08555	1.7
110.07170	0.6
111.08070	2.1
114.03754	1.3
116.01665	26.0
119.08593	4.2
119.24963	0.5
121.10122	2.3
121.40510	0.6
124.02137	0.6
129.06985	2.4
129.10208	0.9
130.04988	13.1
131.08572	3.1
133.10106	2.0
136.07515	0.9
136.10428	0.6
136.90865	0.7
137.06009	0.7
141.04742	0.8
142.03217	11.9
142.07774	0.9
144.01129	14.1
145.01360	0.7
145.10078	0.6
146.02649	1.1
147.11691	3.0
149.09602	1.4
157.10135	3.2
162.02184	46.9
170.02695	3.4
175.11208	3.5
177.03354	0.8
179.04834	88.6
185.50142	0.7
187.05318	2.5
188.03664	0.7
193.12234	12.1
205.06377	0.9
211.13260	22.0
215.04837	2.6
216.03287	1.4
227.04834	0.9
233.05885	24.0
245.05878	4.2
283.06110	0.7
286.14627	0.8
290.08026	1.7
291.06320	2.8
299.06000	0.8
308.09070	54.3
309.09171	1.7
313.86804	0.6
314.14764	0.6
389.17349	1.0
396.59167	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75703	0.6
55.01869	1.1
55.05500	1.4
59.04995	0.7
60.82759	0.6
67.05490	1.1
69.03424	3.9
69.07072	4.7
69.07404	1.0
71.08620	48.4
71.54283	1.5
71.54601	0.7
72.66762	0.6
81.03408	5.4
81.07021	1.3
83.04974	0.8
83.25134	0.7
85.02895	8.0
87.00819	2.8
95.04942	0.9
95.08608	0.7
97.02879	10.7
97.06516	3.4
98.06838	0.8
99.04436	1.8
99.08081	100.0
105.01860	4.9
105.06983	0.9
107.08518	1.1
108.26147	0.7
109.02862	7.1
109.10174	0.8
110.73803	0.7
127.03910	7.3
129.12737	12.2
133.10144	0.9
145.04964	3.1
149.02339	0.9
155.14288	2.3
159.02858	1.4
173.15353	70.6
183.93332	0.8
213.03929	1.0
231.05019	2.3
245.12531	0.7
248.07703	1.5
249.06001	1.6
259.09784	1.0
266.08734	5.8
271.84879	0.8
296.14020	0.8
441.88153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01846	6.5
55.05510	28.3
57.03442	9.5
57.07047	2.7
65.03926	2.3
67.05502	66.2
68.25972	2.0
69.03414	3.9
69.07063	15.7
71.04984	4.7
79.05487	49.8
81.03410	21.7
81.06598	3.7
81.07048	56.2
83.04966	5.1
83.08608	20.4
85.02906	2.7
85.06532	4.3
91.05473	40.6
93.07035	45.1
95.04956	19.3
95.08598	31.0
95.46713	2.0
97.06514	5.5
97.10168	20.9
99.08032	3.1
105.07021	28.7
107.04950	8.8
107.08587	30.3
109.06503	6.4
109.10146	19.7
111.08080	3.9
115.05465	2.9
117.07018	15.7
119.08567	26.2
121.06513	9.7
121.10129	16.9
121.18204	2.0
123.08054	5.5
123.11694	7.4
125.09617	18.3
129.06982	12.6
131.08556	25.9
133.06494	2.2
133.10121	18.4
135.08041	9.9
135.11700	16.1
137.09554	3.5
141.07028	3.5
142.07793	2.4
143.08536	6.4
145.06499	2.8
145.10112	20.3
147.08038	3.6
147.11700	13.5
149.09610	8.6
149.13248	6.4
153.03606	2.1
153.09138	2.3
155.08533	4.9
157.10121	13.0
159.08012	2.6
159.11671	17.9
161.09584	3.5
161.13232	8.7
163.11189	7.0
169.10147	6.1
171.11670	11.1
173.13174	10.6
175.07579	2.4
175.11165	4.0
175.14825	6.3
177.12776	2.3
181.10159	3.2
183.11702	5.5
185.13219	4.7
187.14774	3.4
189.09084	1.9
189.11197	11.5
193.12250	8.9
195.11688	3.0
197.13266	3.3
199.14799	3.6
209.13435	2.6
211.13191	2.6
211.14958	3.2
213.16473	2.4
215.17999	10.2
219.17392	2.3
223.77066	2.1
227.12691	13.9
233.18958	13.8
239.17981	3.4
245.13986	2.0
251.19992	2.4
255.21164	6.3
257.19046	7.0
259.20407	2.1
267.15863	16.9
271.20752	2.6
273.19275	3.2
273.22122	21.0
275.20023	3.9
287.20016	3.5
293.21960	2.4
307.22614	13.4
313.21802	3.1
327.23016	2.3
331.22736	3.2
345.24258	2.0
346.93863	2.2
393.22928	2.3
405.26129	2.4
407.24698	2.4
407.29132	9.5
425.30414	18.8
443.31503	13.8
464.50540	2.0
481.32962	2.8
499.34164	60.4
500.34738	3.9
517.35205	100.0
518.35107	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
55.01854	5.8
55.05499	16.3
57.03428	10.2
57.07058	3.6
59.43227	1.7
65.03933	3.1
67.05501	53.7
69.03416	4.7
69.06732	3.1
69.07065	35.6
69.66507	14.9
71.04984	4.6
73.06525	3.3
79.05486	45.1
81.03408	35.0
81.07047	67.8
83.04960	7.5
83.08600	7.4
83.49797	1.7
85.06522	4.3
91.05473	42.9
93.07040	40.8
95.04962	13.9
95.08599	54.5
97.06535	14.6
97.10166	4.1
99.08062	2.7
105.07022	32.6
107.04943	8.3
107.08586	29.6
109.06506	5.4
109.10149	23.5
111.08070	4.4
117.07003	16.1
119.05032	1.9
119.08566	38.0
121.06506	8.7
121.07241	1.8
121.10127	18.3
123.08038	10.0
123.11704	6.9
125.05965	4.8
125.09613	4.6
128.06227	3.4
129.06964	10.7
131.08536	29.0
133.06458	4.7
133.10115	20.4
135.08067	12.9
135.11658	11.2
137.09610	14.9
141.06932	2.9
143.07016	17.4
143.08542	8.3
143.23062	2.0
145.06374	2.3
145.10117	22.2
147.08032	6.4
147.11673	15.5
149.09612	5.8
149.13252	8.7
151.11218	3.4
155.08463	3.7
157.10078	11.1
159.08012	2.3
159.11670	15.1
161.08214	4.0
161.09610	5.7
161.13258	9.7
163.11185	3.6
163.14894	3.5
165.09070	12.0
166.22012	1.8
167.10655	2.2
169.10094	6.4
171.11682	7.8
173.09578	3.8
173.13234	7.8
175.11183	4.8
175.14803	4.8
177.09021	1.9
177.12730	2.7
177.16324	2.2
181.10117	4.7
183.10175	1.9
183.11696	6.8
185.13248	8.3
187.11201	3.5
187.14783	5.9
191.14339	4.1
195.11597	1.9
197.13268	4.7
199.09641	11.8
199.11261	2.4
199.14850	4.4
201.16422	3.4
203.14439	2.0
205.12187	4.6
209.00314	1.9
209.13213	3.4
211.14859	3.6
213.16434	2.6
215.14438	1.9
219.13696	3.7
221.15320	3.5
233.15407	2.3
239.12737	27.5
243.21016	4.3
245.15450	2.7
249.16304	1.9
259.17017	2.6
261.22192	12.6
267.20975	2.1
279.23074	3.4
285.22009	4.8
299.23776	5.1
301.17780	2.8
301.25281	13.0
303.23227	4.0
309.22150	2.3
317.24640	7.2
327.23056	3.6
335.25742	16.9
345.24106	4.0
359.25644	5.3
379.95035	2.2
389.23407	2.8
389.28186	3.0
397.30841	3.7
401.26791	8.0
407.24445	4.1
407.29276	14.5
425.30380	30.9
443.31479	5.5
481.33328	4.2
499.34128	67.8
500.34879	2.8
517.35107	100.0
518.35199	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.1
55.01867	5.2
55.05508	20.9
55.90191	2.2
57.03423	9.0
57.07060	3.7
58.54974	1.9
62.16737	2.2
65.03933	5.8
67.05500	81.0
69.03396	3.1
69.07057	30.9
70.79401	7.3
71.04977	6.2
71.85233	2.1
79.05485	62.8
81.03406	25.3
81.07047	66.4
81.18369	1.9
83.04971	4.4
83.08610	12.1
85.02883	8.1
85.06496	2.4
91.05468	96.4
93.07033	74.5
95.04940	12.8
95.08599	73.1
97.06516	9.8
97.10136	3.3
103.63851	2.2
105.07027	38.4
107.04926	2.2
107.08581	33.4
109.10145	27.9
111.08086	3.4
117.07014	19.2
119.08565	100.0
121.06483	3.0
121.10143	30.5
123.08031	4.3
123.11709	5.1
123.17195	2.1
125.09617	2.7
129.06976	10.9
131.08553	31.6
133.10104	25.0
135.11641	14.0
137.09613	32.8
137.13214	2.9
143.07027	6.5
143.08522	9.3
145.10110	25.4
147.08035	6.7
147.11679	22.1
149.09654	2.2
149.13231	7.8
155.08562	7.4
157.10086	10.7
159.11681	18.3
161.08241	3.0
161.09610	3.4
161.13278	10.0
163.14766	3.7
165.09099	23.3
169.02376	2.7
169.10045	5.6
171.11687	8.0
173.13251	14.1
175.11261	2.3
175.14749	5.7
181.10095	2.3
183.10135	14.9
183.11615	3.9
185.09718	2.4
185.13239	8.3
187.14801	8.3
189.16304	4.1
195.11656	2.7
197.13263	3.7
199.09641	2.5
199.14722	3.3
201.16383	4.9
211.14821	3.6
223.14728	2.1
239.12657	5.3
259.20605	4.5
261.22150	7.3
285.22116	5.2
292.88031	2.3
299.23618	2.8
301.25201	3.0
309.21848	2.3
332.41965	2.8
335.25748	12.1
389.28503	5.3
397.31537	2.7
407.29001	11.2
425.29654	4.0
425.34787	3.5
472.78485	2.6
499.33508	31.0
517.34204	78.7
518.35522	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.9
53.03948	6.9
55.01865	4.3
55.05504	27.9
57.03416	9.2
57.07067	1.5
59.05003	1.5
65.03931	3.5
67.05495	57.0
69.03427	2.5
69.07056	11.1
70.80939	4.1
71.04969	4.2
77.03921	1.6
79.05483	84.6
81.03410	45.9
81.07044	50.8
83.04974	8.7
83.08611	24.3
85.02892	23.3
85.06541	2.0
91.05466	55.0
93.07031	76.2
94.43057	1.3
95.04958	32.0
95.08595	24.2
97.02888	1.9
97.06522	4.9
97.10163	5.7
99.08083	4.0
100.17223	1.4
103.05463	1.4
105.07015	35.7
107.04950	6.2
107.08582	21.6
109.06509	4.7
109.10130	12.4
111.04439	1.5
111.08055	9.8
113.06023	2.2
115.05456	2.9
117.06976	9.3
119.08556	26.6
121.06474	2.9
121.10131	48.9
123.08051	4.5
123.11690	3.9
125.09629	6.5
129.06992	11.7
131.08553	17.9
133.06503	2.8
133.10089	18.5
134.50764	1.4
135.08086	1.7
135.11627	6.7
137.09602	3.3
141.06902	1.8
143.08646	2.4
145.10086	10.7
147.08086	2.5
147.11650	14.9
149.09590	7.3
149.13263	3.4
151.11203	3.0
155.08487	1.6
157.10088	13.2
159.11682	7.7
161.13232	2.9
165.12793	2.8
168.81966	1.7
171.11681	3.3
173.13297	4.5
175.11198	10.6
175.14743	1.8
181.10139	1.6
183.11751	1.9
185.13147	3.2
189.11186	1.5
193.12209	48.1
197.13239	2.2
199.14639	1.5
211.13257	46.1
213.16487	1.4
215.17940	6.7
227.12769	2.9
233.19006	3.8
239.18031	1.8
255.20992	1.8
257.19046	1.5
267.15918	5.2
273.22174	4.6
275.19861	1.7
285.17090	2.1
307.22653	4.2
339.03036	1.5
347.25308	1.6
387.26425	1.5
389.28561	1.5
407.29437	5.2
425.30493	5.8
443.31403	2.9
499.34204	16.2
512.50806	1.8
517.35217	100.0
518.36041	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55078	1.7
53.03931	7.9
54.72603	1.6
55.01854	5.7
55.05268	2.5
55.05504	36.2
57.03428	11.4
57.07065	2.7
60.08158	8.8
65.03928	4.7
65.55348	1.9
67.05497	71.5
68.05821	1.9
69.03413	5.4
69.07056	17.7
71.04993	6.7
71.07352	3.1
76.26899	1.8
78.05507	1.6
79.05482	80.4
81.03403	37.8
81.07043	71.2
83.04967	10.0
83.08609	26.0
85.02895	16.5
85.06506	3.3
86.09692	23.1
91.05468	56.4
93.07030	73.5
95.04950	30.1
95.08595	34.3
96.12374	1.7
97.02898	2.6
97.06503	7.4
97.10150	19.1
98.20660	3.9
99.08087	3.9
102.68978	2.2
104.10729	43.2
105.04511	2.1
105.07004	43.2
107.04944	6.8
107.08570	25.7
109.06496	6.8
109.10135	19.8
111.04478	2.7
111.08058	10.0
113.06012	3.1
115.05441	3.8
117.07009	14.3
119.08562	30.9
121.06499	6.0
121.10139	38.2
123.04478	2.1
123.08066	4.7
123.11704	6.8
124.99976	11.3
125.09616	10.4
129.06976	11.8
131.08560	25.9
133.06465	5.3
133.10120	21.5
135.08090	3.2
135.11688	10.9
137.09634	3.8
141.06924	2.2
142.07710	2.5
143.08580	7.5
145.06407	3.4
145.10115	19.1
147.08099	3.4
147.11659	16.0
149.09613	6.1
149.13228	3.7
155.08580	5.5
157.10054	13.4
159.11691	12.3
161.09612	2.7
161.13313	6.3
163.11168	4.6
165.12654	2.4
167.08650	2.3
169.10165	5.3
171.11678	6.3
173.09555	2.6
173.13275	6.5
175.11168	10.7
175.14775	5.0
181.10063	3.1
183.11707	5.1
184.07324	37.7
185.09694	2.2
185.13239	6.0
187.14728	4.1
189.09444	1.9
189.11182	7.1
189.12747	2.5
193.12248	30.5
197.13277	3.6
199.14827	3.3
201.12796	2.0
211.13261	32.9
211.15074	3.9
213.12959	1.9
213.16414	2.7
214.03484	2.1
215.18004	5.4
227.12791	6.9
229.83678	1.9
233.18970	6.8
239.18056	2.2
247.17101	2.4
255.20882	3.3
257.19040	2.3
267.15872	11.5
269.84821	1.7
273.18478	2.1
273.22137	7.6
285.17032	2.8
307.22705	6.1
308.13367	1.9
356.03406	2.3
389.28738	2.0
407.29431	5.7
425.30374	9.3
443.31467	5.2
481.33255	3.9
499.34119	32.4
517.35187	100.0
518.32635	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	4.0
53.03934	7.4
55.01859	7.5
55.05507	19.2
57.03426	17.1
65.03933	4.2
67.05498	88.1
69.03416	6.1
69.07056	26.7
71.04961	4.4
74.75455	3.0
77.62408	2.8
79.05490	63.5
79.52990	3.1
81.03413	33.0
81.06602	4.8
81.07050	75.1
82.56472	2.6
83.04962	10.4
83.08603	14.1
84.64917	3.1
85.06539	4.0
87.67245	3.0
88.76484	2.9
91.04917	5.5
91.05473	100.0
93.07040	70.6
93.98665	3.3
95.04928	12.7
95.08601	52.4
97.02866	3.5
97.06508	12.1
97.10155	8.3
98.20707	6.1
99.08037	3.8
104.31754	3.1
105.07023	43.3
107.04973	14.9
107.08580	35.2
109.06474	5.1
109.10159	27.0
111.08018	4.1
115.05379	3.4
117.07018	31.3
119.08566	76.4
121.06506	11.1
121.10141	30.2
123.08025	8.1
123.11702	6.9
125.09572	5.3
128.06209	4.7
129.07004	18.7
131.08548	28.3
133.10126	24.1
135.08038	25.4
135.11676	18.3
137.09624	17.2
137.13187	4.3
143.08539	12.7
145.06439	5.4
145.10126	21.8
146.06590	3.9
146.68874	3.2
147.08051	28.8
147.11658	13.2
149.09592	4.7
149.13251	10.4
155.08556	8.4
157.10095	12.6
159.08051	3.1
159.11696	16.4
161.13258	11.5
163.07498	9.4
163.11131	3.1
163.14777	4.6
165.09067	18.5
169.10091	9.0
171.11707	10.8
173.11835	4.2
173.13252	10.6
175.11101	4.1
175.14763	6.8
179.14268	5.4
181.10097	4.2
183.11682	7.7
185.13255	5.8
195.11697	4.7
197.13281	4.1
199.14812	6.0
209.13353	4.2
211.14865	3.6
215.18056	3.9
229.90985	3.5
230.80318	3.6
237.11206	10.3
239.12772	39.8
243.21114	8.1
261.22131	20.4
276.05008	3.3
277.21863	3.7
278.55157	2.9
315.64325	3.0
317.24734	4.8
327.23016	3.9
332.50800	3.4
335.25757	30.5
363.18866	3.8
379.29849	3.9
389.28458	7.9
407.29111	15.3
425.30460	11.5
443.31717	4.2
481.32965	4.2
499.33987	48.9
501.69827	3.4
517.35059	55.1
536.56439	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66208	4.0
53.03932	11.0
55.01860	15.4
55.05505	66.1
57.03428	15.7
57.07061	7.6
59.04984	5.2
60.08142	3.8
65.03941	6.7
67.05495	100.0
69.03413	5.4
69.07057	43.4
71.04981	6.9
71.08628	7.0
71.74734	6.7
79.05485	74.3
81.03403	18.9
81.07043	85.6
81.19899	4.4
83.04977	6.1
83.08614	37.8
85.02879	4.8
85.06537	8.3
91.05473	49.8
92.45603	5.0
93.07030	58.0
95.04955	30.2
95.08593	51.5
97.06522	17.9
97.10155	38.8
99.08075	8.4
103.05431	8.1
104.10729	10.6
105.07014	56.4
107.04954	15.7
107.08578	39.1
109.06538	14.7
109.10160	26.7
111.08102	6.4
115.05434	11.1
117.07007	26.6
119.08582	33.2
121.06524	10.5
121.10123	23.0
123.08076	9.6
123.11701	7.5
125.00055	5.5
125.09642	32.2
128.06218	7.8
129.07025	22.0
131.04904	7.6
131.08549	29.8
133.06473	4.7
133.10107	26.6
135.04398	6.5
135.08055	10.8
135.11667	14.1
137.05948	8.2
137.13237	4.4
139.11185	5.2
141.06981	9.3
142.07771	6.6
143.08556	11.0
143.10680	5.8
145.06482	13.4
145.10165	23.8
147.04431	4.5
147.07967	8.9
147.11671	12.2
149.09599	13.3
149.13219	12.3
151.11139	10.1
157.06493	7.3
157.10114	11.7
159.08096	7.0
159.11679	14.7
161.05972	9.6
161.09615	6.3
163.07550	19.5
163.11147	7.1
167.08548	4.9
169.10066	5.7
171.08052	8.4
171.11731	12.7
173.06018	11.2
173.11816	5.2
173.13269	12.1
175.07570	13.8
175.11249	6.0
175.14850	4.8
177.09142	8.3
180.04195	18.8
181.10023	5.0
183.08073	7.0
183.11688	6.7
184.07355	11.5
185.09631	6.8
185.13222	7.9
187.07555	9.0
189.05466	7.2
189.09303	6.9
189.11217	27.0
189.12717	6.1
191.07048	20.6
193.12279	6.4
195.06511	87.7
199.07506	6.2
201.05396	6.3
202.06172	6.7
203.06979	7.6
205.08643	14.9
209.08069	8.0
215.07031	15.9
217.05009	10.8
217.08611	9.1
218.05789	13.4
218.14645	4.5
219.06593	12.8
220.07188	6.2
221.08014	47.5
221.09799	6.3
227.12778	6.4
229.08635	12.0
231.06439	6.9
231.10207	7.7
232.07301	17.1
233.08043	43.1
233.18977	5.4
234.08882	18.4
235.09593	27.8
245.08162	24.8
245.11781	11.0
245.15413	6.5
247.09628	41.4
255.17738	4.7
255.21135	5.9
259.09637	15.8
261.11243	21.4
273.11276	8.6
273.19055	5.1
273.22278	9.5
275.20081	7.7
277.21643	6.9
283.16931	10.2
285.11398	6.6
289.14484	7.4
300.13239	5.1
303.15768	26.1
304.16739	8.9
315.19550	20.0
317.17633	4.6
329.17285	8.1
331.18912	31.5
345.20642	41.0
366.74182	5.5
389.19247	4.8
407.29404	11.1
425.30551	10.8
443.31607	7.8
454.31021	5.2
496.70813	5.3
499.30753	38.9
517.35815	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04131	5.0
53.03931	8.3
55.01853	15.1
55.05506	11.1
56.14096	4.2
57.03429	48.3
61.02920	64.6
67.05496	35.3
69.03426	35.3
69.07057	53.7
70.06567	9.4
71.04978	36.5
71.74707	5.4
73.02905	31.7
76.02272	4.6
77.81516	4.7
79.05478	54.4
81.03401	38.6
81.07044	46.8
83.04967	10.5
83.08628	6.7
85.02895	54.9
85.06526	10.6
86.09668	16.5
91.03954	32.0
91.05458	51.4
93.07035	52.2
95.04959	19.7
95.08604	34.8
97.02879	51.5
97.06519	70.5
99.04436	12.9
99.08082	74.2
101.02354	7.4
103.05521	6.6
105.07007	33.7
107.04953	37.0
107.08578	23.0
109.02852	12.7
109.06506	35.6
111.04376	7.0
114.76659	4.7
115.07558	68.0
117.03337	11.1
117.06995	22.7
119.08585	35.4
121.06478	17.1
121.10136	26.0
121.53562	4.2
123.04393	5.1
123.08061	11.5
127.03899	20.1
127.07520	31.7
129.06973	17.5
131.08543	30.9
133.06490	10.6
133.10129	23.6
135.04396	7.1
135.08035	33.4
135.11646	7.5
137.02284	5.2
137.05984	7.2
137.09578	13.1
139.11203	4.8
141.09123	6.1
141.74109	4.3
143.08519	16.8
145.02821	15.8
145.10094	19.0
147.08012	18.8
147.11646	15.0
149.05951	6.3
149.09619	35.0
150.21648	4.7
151.07631	6.6
157.10077	10.6
159.08078	8.1
159.11703	5.8
161.02318	5.3
161.09581	19.5
163.03845	7.8
163.07471	9.3
163.11212	5.6
165.09100	12.4
167.10666	6.5
169.10071	7.0
171.11655	16.1
173.09596	10.8
175.11179	8.9
177.05511	37.2
177.09111	5.6
179.03340	5.7
179.10719	15.1
187.07426	4.4
187.11107	8.7
189.12704	22.8
191.10640	14.4
199.14767	14.5
203.03554	5.4
209.13310	8.8
217.15826	17.2
220.69193	5.0
227.14207	12.5
245.15346	49.3
263.16379	40.2
281.17450	6.7
299.05576	16.9
309.07483	5.7
319.19012	20.1
325.10828	5.2
325.14380	27.2
330.67285	4.8
337.07037	44.4
337.20026	64.6
355.08246	24.4
355.21094	100.0
499.12238	8.0
517.13000	16.8
517.26593	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03792	0.7
57.03435	1.6
61.02919	3.6
69.03420	4.9
69.82174	4.1
73.02912	1.8
76.36523	0.8
77.75563	0.7
78.65092	0.7
84.08142	0.8
85.02898	12.1
86.03236	1.7
86.09682	1.0
87.04459	2.5
91.03959	2.3
94.93011	8.3
97.02908	4.2
104.07103	3.3
112.89652	4.4
114.89370	2.6
119.01882	1.4
127.03910	6.9
136.94016	22.5
143.01929	1.2
145.04961	2.7
148.93977	5.1
155.01910	2.9
156.02150	1.1
156.88660	1.4
161.02905	0.9
166.95090	10.0
173.02922	5.2
174.03127	2.8
174.89590	100.0
175.02676	1.7
176.93427	0.8
183.05077	1.1
184.15843	0.8
185.02917	2.0
192.05475	1.2
196.96158	3.0
202.89113	2.0
245.05130	3.3
246.05307	1.8
247.04913	1.8
252.95538	1.0
256.98270	5.7
258.37573	0.8
259.04626	0.9
264.57779	1.1
273.08212	1.4
273.58286	1.3
274.08163	0.9
276.79666	0.8
305.07187	1.6
307.06876	0.9
340.98392	2.2
344.85712	1.3
347.08362	1.6
354.10995	1.0
354.60858	2.1
365.09598	1.3
381.07834	5.2
407.10321	2.5
408.10471	1.6
419.03476	16.0
517.01544	5.1
517.12946	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01852	1.7
55.05502	4.0
66.74285	1.6
67.05499	17.6
68.96344	1.4
69.03414	4.2
69.07060	2.5
69.83398	3.2
69.83807	7.6
70.84882	1.4
76.81979	1.6
79.05468	2.8
81.03403	13.1
81.07047	9.7
83.08616	2.6
84.08096	1.9
85.02882	3.3
86.09705	3.4
91.05456	5.5
93.07028	4.4
95.04964	4.1
95.08590	6.8
97.02872	4.1
97.06510	4.3
97.86851	1.3
99.04440	3.2
99.07402	1.3
99.08080	2.8
107.04939	2.9
107.08552	2.9
109.02875	15.5
109.10140	35.6
119.04938	2.7
119.08588	3.3
121.06523	3.0
127.03922	6.7
135.04407	1.6
135.08095	2.4
137.05998	2.1
137.09595	100.0
153.12720	2.3
155.10655	3.5
163.03903	2.6
165.09093	79.4
166.09427	2.1
173.02380	2.1
173.05977	2.0
175.09657	4.3
183.10173	5.8
201.11177	6.7
215.07024	2.7
227.06906	2.0
245.08083	1.8
259.09692	3.7
291.12231	5.2
309.13318	24.0
327.14383	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.01855	6.4
55.05500	22.3
55.19500	1.3
55.85445	1.5
57.03423	7.0
57.07063	2.4
57.66780	1.5
60.52210	1.7
64.64382	1.4
65.03925	3.2
65.81499	1.6
67.05498	61.0
67.72776	1.5
69.03400	1.7
69.07069	23.1
70.74290	4.8
71.04993	4.1
78.20489	1.5
79.05486	56.1
81.03423	3.6
81.06601	3.1
81.07048	47.2
83.04974	9.0
83.08597	5.8
83.87761	1.6
85.06504	2.5
91.05463	34.2
93.07034	60.2
95.04959	9.2
95.08599	32.9
96.03233	1.8
97.06509	10.4
97.10157	6.9
105.07023	26.7
107.08580	39.1
109.06505	3.2
109.10149	16.4
111.08099	3.0
115.05444	2.1
117.06983	17.4
119.08569	17.9
121.06463	3.3
121.10129	21.8
123.11663	3.4
125.09591	2.4
129.06972	4.3
131.08540	16.6
133.10106	14.1
135.08012	5.8
135.11670	37.5
141.06947	3.5
143.08528	6.1
145.10100	17.8
147.11662	10.9
149.09636	1.7
149.13225	4.7
153.12727	4.9
155.08546	3.4
157.10094	6.2
159.11696	13.1
161.13251	3.9
163.07542	4.0
163.11162	6.0
169.10175	3.2
171.11652	7.9
173.13226	8.9
181.10124	2.0
181.12245	6.7
183.11737	4.1
185.13245	5.1
187.14810	3.4
195.11742	3.1
197.13164	3.8
199.09563	2.1
199.14766	3.2
202.63452	1.5
209.13281	1.7
211.14856	1.9
229.98953	1.5
241.19446	1.6
261.22107	5.1
271.20526	1.9
297.21912	1.9
299.23526	2.6
316.06042	1.7
333.13821	1.7
383.70300	1.6
405.31735	2.5
423.33115	8.9
441.33850	3.1
497.32043	2.3
497.36795	2.4
515.37756	100.0
516.37018	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3366
Annotation	Tomoeone F
Peak:m/z	Relative Intensity
53.03928	1.5
55.01859	2.5
55.05503	7.8
57.03443	4.1
57.07059	0.9
57.37153	0.9
59.42479	0.8
60.08139	1.2
67.05496	15.4
69.07058	14.9
71.04979	1.8
71.48204	1.1
73.06544	0.9
75.33530	0.8
79.05482	21.4
81.03415	9.2
81.06594	1.6
81.07043	21.9
83.04963	1.7
83.08613	2.1
86.09673	4.0
91.05470	17.1
93.07029	16.1
95.04952	5.1
95.08591	17.2
97.06523	5.6
97.10144	2.4
103.05421	0.9
105.07021	13.8
107.00214	0.8
107.04926	2.5
107.08579	9.3
109.06494	2.0
109.10143	5.4
115.05474	1.2
117.07002	11.2
119.08559	12.6
121.06475	1.9
121.10143	6.2
123.08044	2.1
123.11657	1.0
125.00000	3.6
125.05952	1.4
128.06192	3.0
129.06979	8.6
131.08549	15.5
133.06403	1.8
133.10107	7.0
135.08034	3.5
135.11720	2.9
137.09618	3.9
141.06990	4.4
142.07809	2.5
143.06981	5.4
143.08527	9.1
145.06477	3.7
145.10104	12.7
147.08058	3.0
147.11673	4.8
149.09601	4.7
149.13239	1.4
155.08543	5.5
156.09335	1.1
157.06570	1.0
157.10104	9.1
159.08026	2.3
159.11687	8.8
161.09602	1.5
161.13254	2.9
163.07526	0.9
165.09036	2.7
167.08589	2.1
169.10101	5.8
171.08052	1.7
171.11633	7.6
173.09621	3.2
173.13228	5.7
175.11139	1.6
175.14832	1.1
179.08588	1.6
181.10159	4.1
183.11659	6.5
184.07327	13.7
185.09601	2.4
185.13240	6.0
187.11221	2.3
187.14851	2.5
189.11221	1.0
189.12737	1.4
191.10664	1.0
193.10179	1.6
194.10918	1.1
195.11723	3.5
197.13277	2.8
199.09654	2.0
199.11285	1.2
199.14827	3.2
201.11122	1.0
201.12779	2.0
204.09409	1.0
207.11696	2.0
209.13258	3.5
211.11185	1.0
211.14740	1.4
213.12808	1.4
213.16319	1.5
221.13315	1.1
223.14833	2.9
225.12807	1.0
225.16324	1.8
229.15883	1.9
235.14790	1.0
237.16277	1.5
239.12746	2.4
241.19528	1.5
251.17986	1.3
253.19548	1.0
255.17589	1.3
257.19006	1.8
259.20642	4.1
261.16409	1.0
265.19443	1.0
273.18527	1.1
283.20593	1.5
297.22070	3.1
299.23688	2.4
311.19931	0.9
315.23169	1.7
325.21558	1.1
333.24292	2.0
377.28561	2.1
387.26624	2.4
395.29419	2.8
399.25247	2.1
405.27869	9.0
423.28842	10.7
441.29977	3.5
459.30887	0.9
479.31552	2.8
487.34024	2.1
497.32629	18.4
515.33624	100.0
516.33875	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06010	0.7
52.83606	0.7
53.03933	3.3
55.01863	5.9
55.05503	28.8
55.70724	0.8
57.03431	4.8
57.07057	1.8
59.04981	1.8
65.03921	2.4
67.05496	36.1
69.03397	2.4
69.07056	12.4
69.53062	7.9
71.01338	1.1
71.04971	3.1
71.08629	1.2
79.05481	42.6
81.03409	9.3
81.07045	36.1
81.07536	1.6
83.01315	2.0
83.04977	7.8
83.08602	15.5
84.49448	0.8
85.02868	2.1
85.06529	2.3
91.05467	33.1
93.07031	38.9
95.04948	11.7
95.08591	21.6
97.06496	4.3
97.10156	12.4
97.70650	0.9
99.08109	1.5
101.51991	0.8
103.05475	1.3
105.04488	0.9
105.07015	24.3
107.04925	4.7
107.08570	21.9
109.06501	4.5
109.10146	10.9
111.04427	2.2
111.08062	3.1
115.05466	2.9
117.06254	1.4
117.07003	16.0
119.08553	16.7
121.06464	3.1
121.10136	18.6
123.08075	4.6
123.11701	3.2
125.09616	11.0
128.06190	2.0
129.07011	9.8
131.04935	1.2
131.08556	18.1
131.09450	1.7
133.06500	2.6
133.10115	13.4
133.11020	1.4
135.08032	3.4
135.11681	11.1
137.09576	2.0
141.06952	4.2
142.07768	2.6
143.08545	11.0
144.09322	1.1
145.06490	2.2
145.10103	20.9
146.93938	0.8
147.08041	3.2
147.11652	7.6
149.09581	3.9
149.13237	2.5
150.03345	0.9
151.11148	1.3
153.06937	2.0
153.09097	1.2
153.12729	1.9
154.07790	0.8
155.08513	5.1
156.56865	0.8
157.06477	1.5
157.10101	10.4
159.08051	3.1
159.11674	13.6
161.09596	2.1
161.13274	2.3
163.11174	8.8
165.06950	1.2
167.08583	2.7
169.10124	6.7
171.08032	1.5
171.10313	1.4
171.11668	8.7
173.09610	5.5
173.13196	7.6
175.11205	2.3
179.08592	1.6
181.10091	3.3
181.12253	2.7
182.10910	1.2
183.11684	6.0
185.09549	1.5
185.13228	4.5
187.11180	2.3
187.14825	4.3
189.11195	7.6
189.12720	1.4
189.16354	1.0
191.10577	2.2
193.12181	1.6
195.11699	3.0
197.13249	5.2
199.11186	2.8
199.14856	1.8
201.12730	1.9
208.12152	0.8
209.09969	1.1
209.11612	1.7
209.13310	3.2
211.11198	1.7
211.14844	2.4
213.12900	1.1
213.16408	4.0
215.14189	0.9
215.17966	3.1
223.14868	1.2
225.16370	1.2
227.12628	9.1
227.17894	1.3
231.17450	3.3
233.19029	2.3
235.14742	1.4
237.16342	2.7
241.15895	1.2
243.21219	1.1
247.14714	1.0
251.17981	1.4
253.19472	2.7
255.17432	3.6
263.18005	1.2
267.15851	2.4
268.69122	0.9
271.20511	8.4
273.18524	1.8
281.18900	0.9
283.15393	2.9
289.21750	1.2
299.20111	1.3
305.21042	1.1
311.20123	1.4
325.21445	2.0
327.23325	1.6
329.21271	1.7
350.35321	0.9
377.28336	1.2
387.26559	2.3
395.29446	2.3
405.27618	6.7
423.28848	12.0
441.29877	4.2
452.88382	0.9
459.31256	2.2
487.33771	2.4
497.32520	17.6
515.33600	100.0
516.33710	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.2
53.03938	6.5
55.01853	5.1
55.05501	20.4
57.03422	3.2
57.07066	1.4
65.03928	3.0
67.05494	35.7
69.03415	2.1
69.07058	14.6
71.04981	3.5
71.26863	2.3
73.02893	1.0
77.03957	1.1
79.05480	68.5
81.03415	4.5
81.07043	40.3
83.04980	5.6
83.08613	9.4
85.06550	1.4
91.05463	34.9
93.07030	79.4
94.07347	0.9
95.04951	14.8
95.08591	50.1
97.02866	3.5
97.06509	6.9
97.10136	2.1
99.04444	3.5
99.08055	2.6
103.05456	1.7
105.07019	23.3
107.04946	10.6
107.08575	36.7
109.06497	3.7
109.10159	7.7
111.04465	1.4
111.08048	2.1
115.05412	1.4
117.07003	15.8
119.08566	19.5
121.06499	6.7
121.10124	36.5
123.08025	2.7
123.11699	1.7
125.05981	2.7
125.09617	1.7
128.06210	1.0
129.06987	3.2
130.07756	2.2
131.08543	11.3
133.10112	10.7
135.08058	4.1
135.11670	48.4
139.07544	1.1
143.07040	0.9
143.08549	4.3
145.08946	1.9
145.10103	35.8
147.08032	1.9
147.11658	4.9
149.09552	1.2
149.13251	2.3
151.11163	1.1
153.12756	0.9
155.08554	2.4
157.10130	3.1
159.07971	1.1
159.11703	6.8
161.09586	1.2
163.07515	1.5
163.11157	57.0
169.10129	1.5
170.82063	0.9
171.11731	2.7
173.09583	1.3
173.13246	3.6
175.11279	1.0
181.10179	1.6
181.12183	15.8
183.11728	1.7
185.13081	1.2
187.14803	1.4
195.11597	1.1
197.13289	1.1
199.11172	1.1
199.14799	1.7
207.11705	1.0
209.11646	2.3
209.13368	1.4
211.14931	1.0
213.12735	1.5
215.17900	4.8
225.16277	1.0
227.12741	100.0
228.13049	1.3
233.19067	1.5
271.20273	1.0
275.20007	3.1
283.15384	3.6
289.21667	1.9
293.21707	1.0
387.26389	1.0
395.29245	1.5
405.27911	2.9
423.28888	5.3
441.29840	2.2
497.32568	4.7
513.74896	1.0
515.33588	69.1
516.33972	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.1
53.03932	1.5
55.01853	3.4
55.05508	13.5
55.71584	0.8
57.03422	3.7
65.03946	1.2
67.05499	24.7
69.03433	1.6
69.07063	9.9
71.05006	2.3
71.19807	2.4
72.48626	0.8
79.05482	19.3
81.03417	4.7
81.07049	22.8
83.04970	3.3
83.08612	8.3
85.02901	1.1
85.06534	1.9
91.05474	18.4
93.07037	16.1
95.04952	7.0
95.08591	11.0
97.06520	4.3
97.10165	7.5
103.05449	1.3
105.07022	16.9
107.04935	3.5
107.08585	9.9
109.06522	3.3
109.10154	7.7
111.08095	1.8
115.05439	2.0
115.12170	0.8
117.07012	10.9
119.08572	14.7
121.06519	2.8
121.10117	4.6
123.08060	2.0
123.11664	1.6
125.09612	6.5
128.06192	3.9
129.06998	10.1
130.07782	1.6
131.08553	16.8
133.06482	2.4
133.10114	10.9
135.08026	4.0
135.11655	4.0
136.34746	0.8
137.09587	1.6
141.06967	4.1
142.07788	2.1
143.08539	10.0
145.06488	3.2
145.10120	14.6
147.08031	2.4
147.11687	6.1
149.09602	3.2
149.13277	1.8
153.09088	0.9
154.07777	1.3
155.08543	6.9
157.06471	2.1
157.10115	11.4
159.08043	3.7
159.11713	8.9
161.09627	2.0
161.13280	2.3
163.11215	2.0
165.07076	1.1
166.07742	1.0
167.08572	3.1
169.10117	8.0
171.08055	1.9
171.11630	10.0
173.09645	3.4
173.11780	1.4
173.13156	5.7
175.11200	2.4
181.10126	4.9
183.11670	7.1
185.09599	3.0
185.13289	5.3
187.11194	3.2
187.14871	2.5
189.09282	1.0
189.11238	2.6
193.10115	2.5
193.12250	1.8
195.11655	5.4
197.09619	1.5
197.13272	3.5
199.11209	3.3
199.14822	2.0
201.16414	1.3
203.17987	1.5
205.10104	1.4
205.12221	0.9
207.11693	1.1
209.13300	3.7
209.81140	0.9
211.13106	1.2
211.14886	2.7
213.12746	2.9
213.16286	4.7
219.11722	1.3
221.13289	1.1
223.14885	1.6
225.16382	1.6
227.12718	1.5
227.17915	1.4
231.17380	4.6
233.13040	1.0
237.16422	4.0
247.14810	1.2
249.16246	0.9
251.17947	1.0
253.15753	1.1
253.19553	1.3
255.17505	3.0
263.17871	1.0
267.15891	1.9
269.19031	2.6
271.20572	4.0
273.18607	1.0
283.16534	0.9
293.19177	1.0
297.18539	1.3
299.20099	1.6
307.20551	1.1
311.20245	1.7
325.21573	2.8
327.23239	0.9
329.21030	1.3
337.21533	1.1
343.22702	1.3
359.27380	1.1
375.21713	1.0
377.28445	1.6
387.26807	3.0
389.39572	0.9
395.29459	2.3
403.24765	1.1
405.27933	9.2
423.28922	13.3
441.29712	5.9
459.31021	1.9
461.30701	1.4
479.31607	1.1
487.34155	2.5
497.32672	16.3
515.33679	100.0
516.34265	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01851	4.3
55.05275	0.9
55.05504	12.2
57.03432	4.7
61.19363	0.9
65.03914	1.6
67.05498	32.9
69.03398	1.4
69.07061	26.7
69.53219	2.3
69.53626	5.9
70.13435	0.8
71.04972	2.6
73.06528	2.1
77.03899	1.0
77.81486	0.8
79.05485	37.4
81.03409	10.9
81.07045	29.6
83.04951	2.4
83.08616	5.5
85.06535	1.0
91.04912	1.7
91.05465	30.5
93.07030	29.4
95.04962	5.9
95.08598	28.9
97.06512	9.8
97.10139	2.3
105.04460	1.3
105.06342	1.0
105.07021	20.3
107.04930	3.4
107.07906	1.2
107.08576	16.9
109.06480	3.8
109.10139	7.7
111.08116	1.5
115.05430	2.9
117.07001	17.7
119.08565	17.2
121.01501	1.0
121.06436	2.9
121.10131	12.7
123.08106	2.2
123.11661	2.6
125.05917	2.7
125.09575	3.6
128.06187	2.6
129.06975	7.5
130.07771	1.6
131.08554	20.8
133.06438	2.6
133.10112	13.7
135.08064	10.3
135.11690	6.4
137.09563	3.0
141.06964	4.0
142.07698	2.9
143.07008	10.6
143.08549	11.3
145.06497	4.5
145.10103	15.9
147.07970	2.7
147.11691	8.4
149.09584	2.3
149.13214	2.4
153.09103	2.5
154.07719	1.0
155.08539	7.6
157.10110	10.9
159.07965	3.1
159.11676	13.2
159.67902	1.0
161.08014	1.7
161.09584	2.4
161.13240	4.3
163.07457	2.6
163.11165	1.7
165.06895	1.3
165.09064	2.3
167.08495	2.9
168.09364	1.5
169.10101	9.0
171.08092	1.0
171.11670	9.2
173.09572	3.7
173.13232	10.6
175.14728	2.7
179.08470	2.0
181.10068	3.4
183.11667	8.5
185.09586	2.8
185.13245	8.1
187.11147	2.4
187.14763	4.7
193.10255	1.3
195.11612	3.6
197.09560	1.1
197.13226	5.6
199.09610	5.8
199.11143	2.0
199.13065	1.1
199.14789	3.7
201.12720	1.9
201.16331	2.0
205.12093	1.5
207.11624	2.2
209.13228	3.9
211.14821	4.7
213.12733	2.2
213.16312	2.1
219.11705	1.9
221.13182	1.5
221.15244	1.0
223.14705	2.4
225.12608	1.0
225.16376	1.7
227.14377	1.5
227.17757	1.0
237.16356	1.3
239.12685	2.9
239.17880	1.1
241.19553	1.5
255.17465	1.1
255.20813	1.0
259.20468	4.3
261.22049	1.2
271.20505	1.1
279.20718	1.2
283.20444	2.9
285.18265	1.6
286.53976	1.0
295.20282	1.1
297.22034	2.6
299.23596	6.6
301.21530	2.3
307.20148	1.0
315.22916	1.5
317.24585	1.2
325.21390	3.1
327.23022	1.2
333.24246	1.1
339.23117	1.7
341.20441	0.9
343.22504	1.6
357.23996	2.9
377.28210	2.0
387.26736	3.4
395.29422	5.1
399.25336	5.1
405.27640	9.1
417.26248	2.1
423.28720	8.8
441.29791	3.8
459.30328	1.6
479.31171	1.9
487.34280	1.6
497.32568	21.8
498.32764	1.3
515.33423	100.0
516.33746	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34366	1.2
53.03925	3.5
55.01868	8.9
55.05262	1.6
55.05506	18.5
57.03409	4.6
57.07055	1.5
57.82617	1.1
65.03918	5.0
67.05496	56.0
69.03408	2.3
69.06718	1.7
69.07059	16.1
71.04971	8.6
71.08586	1.8
71.56069	1.2
71.75256	1.7
79.05482	85.4
81.03410	8.3
81.07045	45.1
83.04954	4.8
83.08597	8.3
85.02892	1.8
85.06517	2.9
88.97589	1.3
91.05466	44.6
93.07032	62.6
95.04948	9.4
95.08003	1.7
95.08595	29.5
97.02898	7.7
97.06505	4.1
97.10139	3.3
99.00775	2.2
99.04443	15.4
103.05457	2.9
105.04463	1.3
105.07013	23.1
107.04943	19.3
107.08578	63.2
109.02843	1.8
109.06484	4.3
109.10149	12.7
111.04401	5.3
111.08051	1.6
115.05437	5.6
117.07004	49.2
119.04856	1.9
119.08555	15.7
121.06484	15.8
121.10121	20.0
123.08012	1.8
123.11642	1.6
125.09624	6.0
129.06950	2.4
131.08553	15.5
133.06462	2.6
133.10083	12.4
135.08034	71.1
135.11653	15.9
137.09587	1.3
143.08517	2.5
145.06464	7.8
145.10103	9.2
147.11681	8.8
149.13242	9.3
153.09068	10.9
155.08539	1.9
157.10110	1.3
159.11671	6.3
161.13188	4.3
163.07520	66.0
163.14806	2.2
169.10085	2.1
171.11633	2.9
173.13185	5.6
175.14761	2.2
179.14180	1.5
181.08609	20.0
181.10109	3.0
185.13235	2.4
187.14719	2.7
190.17110	1.3
197.13196	2.2
199.09631	100.0
226.06839	1.2
243.21016	6.7
261.22119	20.1
275.19955	1.5
317.24646	4.4
441.29871	2.1
497.32312	3.3
515.33124	76.1
516.33911	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.01865	13.1
55.05507	35.2
56.12745	2.3
57.03436	15.9
58.53739	2.4
61.02869	2.3
65.03949	5.1
67.05497	94.3
69.03419	9.8
69.07061	40.8
71.04980	7.7
71.32433	4.2
71.32774	4.4
73.02905	2.3
79.05482	85.2
81.03409	16.1
81.07046	100.0
83.04971	9.2
83.08598	15.4
85.02891	9.9
85.06518	5.0
91.05473	68.0
93.07034	78.9
95.01311	4.2
95.04973	18.5
95.08594	62.3
97.02893	6.5
97.06508	19.3
97.10165	8.5
99.08134	4.0
105.07021	59.6
107.04959	9.7
107.08583	46.3
107.09245	4.6
109.06514	9.6
109.10150	27.6
111.04473	2.8
111.08030	3.7
113.09625	3.0
115.05436	4.1
117.07009	24.1
119.08574	41.5
121.06503	9.0
121.10122	33.4
123.08070	7.4
123.11716	10.3
125.09626	8.5
127.03899	3.1
128.06195	4.0
129.06976	17.3
131.04942	2.5
131.08545	45.2
133.06442	3.8
133.10123	33.4
135.08076	7.4
135.11681	21.3
137.09602	5.1
139.11151	3.9
141.07016	4.2
142.07719	3.7
143.08522	14.6
145.06471	3.5
145.10115	35.1
147.08063	6.0
147.11700	16.9
149.09598	10.7
149.13239	14.1
151.11137	4.0
155.08537	6.0
157.10162	13.5
159.08072	3.4
159.11674	29.2
161.09639	3.7
161.13260	10.5
163.11153	9.9
163.14891	4.8
165.12677	2.9
167.54543	2.5
169.10138	10.2
171.11679	9.5
173.09592	3.7
173.13231	17.5
175.11249	3.3
175.14810	3.1
177.12735	5.8
177.16290	3.9
179.14375	4.5
181.10136	4.7
183.11731	6.3
185.09581	5.1
185.13248	7.3
187.11168	6.4
187.14825	5.3
189.12749	4.1
195.11613	4.6
197.13303	6.3
199.11244	3.5
199.14886	4.2
201.16400	3.4
208.87270	2.7
209.11575	3.9
213.16460	3.3
227.12654	4.2
229.15706	3.1
231.17357	4.3
243.21175	11.8
247.16951	3.1
257.18896	4.1
259.20782	3.7
261.22101	39.0
275.20105	25.7
296.11575	2.7
335.25882	6.6
345.24597	3.6
349.23911	3.4
351.23145	3.2
353.26852	8.5
405.27475	7.8
423.28934	8.6
441.29919	4.0
461.28915	3.9
479.30234	3.6
497.32336	21.2
515.33575	67.6
516.33893	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01860	5.3
55.05505	30.5
57.03431	14.6
57.07068	4.6
57.39337	1.8
60.02170	1.9
61.02918	3.7
62.92313	2.1
63.23983	1.8
65.03943	4.5
65.38015	1.8
66.37177	1.7
67.05127	4.5
67.05493	87.5
69.03426	5.6
69.07057	25.4
69.88776	1.8
70.37128	5.0
70.37521	3.1
71.04981	6.6
75.49752	2.0
79.05482	82.0
81.03415	9.2
81.07046	100.0
82.07365	3.8
83.04982	4.6
83.08610	14.3
85.02894	7.7
85.06520	3.0
91.05467	51.1
93.07034	94.1
93.88907	2.0
95.04953	17.6
95.08598	76.0
97.02877	8.0
97.06524	8.1
97.10146	5.7
99.04453	3.7
99.08097	2.8
104.51577	1.9
105.07024	39.7
107.04958	7.6
107.08575	54.2
109.06503	8.0
109.10147	30.1
111.04488	2.9
111.08047	3.9
115.05472	3.3
117.07000	22.6
119.08566	32.0
121.06532	4.8
121.10130	47.0
123.08120	4.8
123.11712	12.1
125.06015	2.3
128.06186	3.7
129.06998	6.5
130.07755	3.3
131.08557	30.0
133.10101	19.7
134.37912	1.8
135.08035	5.1
135.11674	43.8
137.09619	5.6
137.13292	3.4
139.07504	2.3
139.11148	5.2
141.06970	3.5
143.08575	8.8
145.10115	36.6
147.08034	2.4
147.11668	13.6
149.09612	4.7
149.13257	18.9
151.11157	2.8
155.08575	3.8
157.10110	5.5
159.11678	19.8
161.09734	2.0
161.13242	12.1
163.11169	33.4
163.14842	5.9
165.12703	3.4
169.10120	6.8
171.11681	5.6
173.09541	3.3
173.13261	10.0
175.14793	4.1
177.12846	2.3
177.16364	4.2
179.14337	2.2
181.10168	2.7
181.12227	6.4
183.11714	5.7
185.13329	4.0
187.14813	8.6
189.12730	2.9
194.56013	1.9
195.11684	3.1
199.14731	3.0
201.12758	2.2
201.16264	2.3
215.17944	5.4
227.12735	45.1
229.15735	3.5
231.13802	2.2
233.19058	3.4
243.21077	14.5
261.22119	45.8
275.19940	2.7
301.21552	2.5
303.23114	2.6
335.25726	15.1
341.41226	2.0
345.24164	4.1
351.23401	2.3
353.26898	7.7
370.80240	2.0
405.27490	6.2
423.28897	4.7
461.28824	2.4
497.32236	11.0
515.33551	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.6
53.65245	2.1
55.01851	5.0
55.05506	22.8
57.03424	14.8
57.07055	3.8
61.02908	5.9
61.52856	1.9
64.62823	2.3
65.03920	3.8
67.05497	81.8
69.03417	4.9
69.07063	30.7
71.01338	3.0
71.04970	4.5
71.08615	8.6
71.75566	3.7
72.07048	2.2
73.02891	3.8
79.05022	3.0
79.05486	63.8
81.03420	19.4
81.07050	100.0
83.04974	9.3
83.08618	13.2
84.19556	2.2
85.02886	10.7
85.06532	5.5
91.05467	56.0
93.07034	70.7
94.07331	3.2
95.04954	15.6
95.08594	73.9
97.02862	8.1
97.06525	11.8
97.10159	7.9
99.08074	11.4
103.03848	3.2
105.07023	44.6
105.25751	2.7
107.04929	8.3
107.07908	2.9
107.08580	36.9
108.08876	3.6
109.02858	2.7
109.06506	11.1
109.10142	31.3
111.08075	4.6
117.06999	25.4
119.08574	32.8
121.06480	5.6
121.10130	34.3
123.08047	8.4
123.11684	13.4
125.09628	3.7
127.03889	3.5
128.06209	3.8
129.06989	10.0
131.08551	30.9
133.06461	2.8
133.10126	28.8
135.08025	7.1
135.11696	23.8
136.53929	2.1
137.09633	3.2
137.13232	5.4
141.06926	4.1
143.08563	13.6
145.10109	29.3
147.08044	4.3
147.11646	20.0
148.36780	2.5
149.09593	9.2
149.13245	16.9
151.07530	5.3
151.11153	8.0
152.95753	2.2
155.08533	4.2
157.10100	9.4
159.08063	3.4
159.11688	20.3
161.09633	4.2
161.13310	11.0
163.07626	2.6
163.11183	6.3
163.14778	8.1
163.82608	2.1
165.12733	4.6
169.10080	5.5
171.08080	2.3
171.11679	9.7
173.13255	15.5
175.14807	4.3
177.12766	6.1
177.16318	4.3
179.14333	3.0
183.11729	3.0
185.09634	2.7
185.13245	4.8
187.14784	9.6
193.12103	2.9
193.47449	2.3
199.14804	3.6
201.12689	2.5
201.16473	3.4
209.13176	3.0
221.49593	2.7
227.12708	3.6
229.15874	3.4
243.21034	15.8
257.18967	2.7
261.22089	38.7
267.15668	3.4
275.20062	5.9
279.23193	3.7
301.21765	4.0
303.23184	3.4
317.24689	4.3
333.24686	2.3
335.25778	17.4
341.24515	2.8
345.24261	4.8
353.26816	12.4
369.24289	3.5
387.25491	4.7
405.26898	5.1
406.49475	2.6
419.27951	5.6
423.28271	3.7
443.27850	3.1
461.29349	3.6
479.30289	2.8
497.31793	12.0
515.33380	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03827	1.5
52.75559	1.8
55.01899	1.7
55.05502	4.5
57.03426	4.2
60.32719	1.6
61.02905	2.0
67.05499	9.1
67.05798	1.4
69.03416	3.8
69.07062	1.8
70.88154	3.9
70.88494	1.9
79.05492	8.7
81.03410	96.4
81.07043	9.2
83.04976	4.1
83.08611	22.7
85.02897	5.3
91.05469	8.3
93.07032	5.1
95.04956	23.9
95.08569	3.4
97.02871	5.6
98.20803	1.9
105.07034	6.9
107.04933	4.3
107.08599	3.2
109.02867	3.1
111.04449	3.3
111.08080	10.3
114.03338	1.6
115.05473	1.7
119.08521	7.5
121.06492	2.9
121.10152	4.7
123.04431	2.4
127.03928	4.1
129.07008	6.4
131.08565	5.6
133.10118	3.4
142.07768	1.7
147.08054	2.4
147.11693	6.6
149.09604	3.9
157.10052	9.7
163.11122	1.6
165.12791	1.9
175.11153	12.4
187.06166	1.8
193.12222	74.9
193.14000	3.6
211.13335	6.1
259.13165	2.1
267.15848	40.4
273.06061	3.5
285.16937	100.0
286.17194	2.1
309.17038	9.4
363.18088	2.7
375.18344	2.3
393.19229	1.7
514.22949	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05488	2.4
67.05498	17.1
69.03412	4.3
69.07064	1.1
70.06583	1.7
71.04967	1.6
71.74386	0.8
71.74776	1.1
79.05482	1.8
81.03416	11.6
81.07047	9.7
83.04957	1.7
84.08128	0.9
85.02891	3.9
86.09666	1.0
91.05479	1.4
93.07020	4.4
95.04971	2.7
95.08586	6.6
97.02891	4.3
97.06499	2.4
99.04455	2.6
105.07026	1.0
107.08575	3.7
109.02867	13.6
109.06487	1.7
109.10144	41.9
110.10464	0.9
119.08568	3.0
125.06004	2.0
127.03897	5.2
129.07036	0.9
136.40927	0.8
137.09596	100.0
138.09958	1.4
149.09604	0.9
153.01895	0.9
155.10658	4.2
165.09097	89.1
166.09474	1.1
183.10117	7.9
201.11177	6.9
204.06589	1.0
245.11697	1.0
259.09561	1.2
291.12222	6.3
293.09036	1.2
309.13309	24.3
327.14267	5.7
339.09741	1.1
389.13165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.1
54.19318	0.7
55.01896	0.9
55.05494	1.6
57.03428	1.3
62.92927	0.8
65.03925	2.6
65.64536	0.8
67.05494	12.4
69.03407	4.1
69.07056	0.9
70.06586	1.2
70.22359	0.7
71.74578	1.1
79.05482	7.1
80.04999	1.1
81.03407	6.7
81.05787	1.9
81.07050	5.6
82.06557	1.4
83.04963	1.4
85.02883	4.8
86.09703	3.4
87.00809	1.6
91.05487	2.5
92.05014	4.9
93.05766	0.9
93.07029	2.2
95.04964	3.5
95.08584	3.2
96.04507	1.0
96.08128	5.5
97.02876	3.4
99.04424	1.9
105.01835	1.3
105.34714	0.9
106.06544	48.6
107.08585	1.4
108.08108	54.4
109.02861	5.3
109.05252	1.2
109.06520	1.1
109.10147	20.9
110.06042	1.2
119.08595	1.6
123.06795	5.9
124.07579	35.0
127.03881	5.0
134.06000	27.1
136.07553	16.6
137.09598	34.4
145.04897	1.2
146.40366	0.8
149.28633	0.8
152.07051	97.0
154.08649	1.7
155.10664	1.4
165.09097	16.2
170.08110	63.2
171.08395	0.8
183.10159	1.7
193.12308	1.2
201.11266	1.5
218.49646	0.9
231.04858	1.1
273.06174	1.7
285.16833	1.3
298.14291	1.2
314.12427	2.0
327.14450	2.5
332.13535	0.9
334.16373	1.8
426.37509	0.9
460.19797	1.7
478.20920	5.0
486.00848	0.9
496.16348	0.7
496.21707	27.3
514.22821	100.0
515.23401	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
53.36409	0.8
55.01850	1.6
55.05505	19.1
57.07061	3.2
65.03920	3.6
67.05495	48.5
69.03426	2.1
69.07068	12.0
69.91817	0.9
71.04974	2.5
71.79797	0.9
76.74368	1.0
77.03923	1.3
79.05486	46.4
81.03412	8.0
81.07047	40.9
81.07777	1.1
83.04965	9.4
83.08599	6.2
85.06514	3.5
90.53303	0.9
91.05470	100.0
93.07034	38.7
95.04971	7.4
95.08601	24.3
97.02885	2.4
97.06487	3.2
97.10133	2.1
98.21542	2.2
103.05456	1.2
105.07020	39.3
107.04938	8.4
107.08585	20.2
109.06516	3.0
109.10131	9.3
115.05445	2.0
117.06998	11.5
118.75055	1.1
119.08574	19.8
121.10129	13.8
123.08044	1.6
123.11660	1.9
125.09564	1.8
128.06181	4.1
128.64859	0.9
129.06982	8.9
131.07645	1.5
131.08560	19.9
133.10115	32.5
135.08051	2.2
135.11676	10.9
137.09612	1.1
141.06947	3.4
142.07718	2.6
143.08548	12.3
145.10104	10.9
147.08058	1.6
147.11678	5.9
149.09589	8.8
149.13245	4.1
151.11133	3.0
155.08568	7.0
157.10109	9.5
159.11699	7.0
161.09560	10.5
161.13217	3.2
165.07037	1.3
167.08557	3.6
169.10126	7.2
171.11668	7.5
173.13226	7.4
175.14737	1.2
179.10664	7.8
180.09364	1.0
181.10094	3.4
183.11700	6.5
185.13214	6.2
187.14832	2.8
195.11679	3.4
197.11693	2.1
197.13268	5.1
198.30824	1.1
199.14804	3.6
201.16290	0.9
207.11803	1.3
209.13336	5.0
211.14821	3.4
213.16273	1.3
221.13295	1.5
223.14806	2.8
225.16449	2.2
233.13489	1.2
237.16385	1.2
243.20903	1.5
244.21642	1.0
253.14397	1.8
256.26230	2.3
257.26730	2.8
261.22073	3.9
283.20602	1.2
283.26373	1.9
284.26666	1.4
309.22205	1.4
317.24561	1.3
335.25839	8.2
403.29810	4.2
415.28250	1.4
421.30923	11.7
439.32220	2.9
477.33783	1.1
495.34540	6.9
513.35602	76.1
513.50635	7.1
514.35901	3.3
527.11200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.4
53.03939	8.0
54.29242	0.6
55.01860	2.7
55.05506	24.5
55.27940	0.6
56.85940	0.7
57.07062	2.4
59.04993	0.8
65.03925	4.6
65.14207	0.6
67.05497	61.7
69.03415	1.4
69.07059	11.8
70.17313	3.5
71.04982	1.7
71.08632	0.8
73.06544	1.4
77.03919	1.6
79.05484	100.0
80.05816	1.0
81.03414	8.5
81.07045	52.0
83.04971	11.3
83.08604	8.4
85.06535	2.4
87.04469	0.9
89.06025	2.2
91.04643	1.0
91.05467	67.1
93.07032	90.7
95.04958	23.4
95.07989	1.6
95.08596	28.5
97.06513	4.3
97.10162	2.9
99.08069	3.3
103.05459	2.0
105.04503	2.3
105.07018	41.0
107.04941	5.2
107.08585	21.2
109.06512	4.9
109.10143	7.1
111.08077	1.9
115.05460	1.9
117.07007	11.4
119.08566	27.2
121.06504	2.1
121.10126	30.9
123.08055	4.4
123.11697	1.6
125.09615	2.0
125.73134	0.8
127.07556	1.0
128.06261	1.6
129.06975	12.4
130.07809	0.8
131.08543	8.7
133.06532	1.0
133.08545	0.8
133.10094	13.0
135.11693	7.2
137.09636	1.0
141.06943	1.1
143.08537	8.1
145.10121	11.9
147.08040	2.0
147.11671	29.2
149.13284	1.5
155.08565	1.0
156.09361	0.7
157.10153	1.9
159.11681	5.2
161.09604	4.6
161.13231	10.0
169.10158	2.4
171.11670	24.8
173.13240	2.5
179.14284	1.1
181.10182	0.7
183.11664	1.4
185.13309	1.3
187.14890	1.2
189.12756	7.5
195.11743	0.9
197.13315	1.5
199.14824	1.2
207.11801	1.2
207.13779	20.7
209.42532	0.8
215.17976	3.2
216.66025	0.7
216.77737	0.8
233.19073	1.3
257.26767	1.0
281.17465	3.1
283.26474	1.1
370.45294	0.8
415.00455	0.7
421.30905	1.9
429.29401	0.8
495.34756	1.1
513.35718	58.4
513.50812	3.0
514.36060	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3207
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
51.17730	1.3
53.03923	6.7
55.01849	6.9
55.05266	2.1
55.05503	25.2
59.04987	1.9
61.14709	1.6
62.75914	1.4
65.03914	2.1
67.05495	35.9
69.03399	3.0
69.07057	22.9
69.59052	2.7
69.59463	8.7
71.04978	3.7
79.05481	33.8
81.03408	49.0
81.07045	33.4
83.04957	6.8
83.08606	12.5
85.06523	2.8
91.05474	38.2
91.86792	1.5
93.07037	26.3
95.01303	5.0
95.04956	13.1
95.08592	26.7
97.06509	8.5
97.10167	17.2
98.72255	1.6
103.05453	2.2
105.07016	34.4
107.04949	10.8
107.08572	16.3
109.06515	4.5
109.10155	10.4
111.08041	3.4
115.05431	3.0
117.07003	17.4
119.08559	27.5
121.06484	5.2
121.10138	7.9
123.08047	3.7
123.11648	1.7
125.09624	9.4
128.06230	5.7
129.06981	13.6
131.08543	17.0
133.06418	2.8
133.10118	17.7
135.08002	4.6
135.11641	4.3
137.09578	7.4
141.06978	6.5
141.96707	1.5
142.07733	4.9
143.08571	13.9
145.06470	5.2
145.10121	18.2
147.08023	4.9
147.11656	8.2
149.09587	5.8
149.13257	1.6
153.06987	2.6
155.08533	10.9
156.09300	1.8
157.06451	1.7
157.10106	13.9
159.08049	3.9
159.11687	8.4
161.09613	2.6
161.13185	3.7
163.11192	4.3
165.06981	2.7
165.09084	7.0
167.08574	4.7
169.10109	11.9
171.11694	15.3
173.09581	4.3
173.13135	3.5
177.12770	2.4
179.08510	2.5
179.14319	6.7
181.10072	6.9
183.11687	8.3
185.09698	2.1
185.13235	7.2
187.11176	3.1
189.11198	6.0
189.12732	2.1
193.10091	4.0
195.07953	1.6
195.11656	7.1
197.09599	2.8
197.13177	4.6
199.11165	4.2
199.14861	1.6
205.12074	2.3
207.11662	3.8
209.13246	3.5
211.11105	3.5
211.14835	3.0
213.12831	2.3
219.17401	1.8
223.10973	2.3
223.14720	2.4
225.12753	2.1
225.16293	2.3
227.12700	6.2
229.15907	3.5
235.14790	3.0
239.18019	2.2
249.16458	2.7
251.17999	4.4
253.15962	3.4
257.18982	2.0
267.17474	2.3
269.18997	8.5
271.16888	1.7
275.20010	23.6
293.21210	2.0
323.20038	3.2
341.21198	2.4
358.16235	1.6
393.27896	3.6
403.26331	8.4
421.27304	14.0
439.28378	6.0
477.29623	1.5
495.31076	11.7
502.15866	1.7
513.32031	100.0
514.32648	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01843	5.0
55.05511	12.2
57.07048	3.1
61.22849	1.9
61.58757	1.9
65.03928	2.5
67.05500	21.7
67.97369	1.9
69.06747	2.2
69.07063	26.7
73.06512	3.1
79.05486	24.6
81.03403	15.0
81.07046	23.6
83.04961	3.2
83.08598	3.4
91.05458	17.2
93.07029	17.6
95.04939	9.1
95.08598	15.9
97.06495	8.2
97.10130	2.9
105.07004	19.5
107.04898	5.0
107.08542	7.9
109.06498	4.1
109.10110	7.0
117.07001	13.2
119.08568	15.4
121.06483	3.1
121.10110	5.3
128.06152	4.7
129.06958	9.7
131.08548	15.3
133.10159	10.2
135.08000	5.9
137.09560	4.7
141.06985	5.9
143.06981	7.3
143.08591	11.5
145.06447	2.3
145.10117	13.0
147.08012	3.0
147.11653	3.8
149.09566	3.9
155.08504	9.2
156.09109	2.8
157.06459	3.0
157.10136	14.1
159.08017	2.6
159.11639	7.0
167.08510	5.2
169.10146	11.9
171.08025	4.8
171.11682	11.0
173.13214	5.3
179.08545	3.8
181.10049	6.4
183.11652	10.5
185.09538	4.1
185.13156	7.7
187.11176	3.2
187.14705	3.3
195.11687	7.3
197.13199	6.3
199.09578	5.1
199.11244	2.5
199.14766	4.0
200.93843	2.2
205.10013	2.5
207.11641	4.7
209.13232	3.7
210.92009	2.0
211.11162	3.1
211.14799	3.0
213.12646	3.2
219.11580	2.6
221.13199	5.7
223.14771	2.3
225.16203	2.0
237.16341	2.7
243.13826	2.9
251.17859	2.2
257.19000	3.6
275.19952	5.2
277.71567	2.1
281.19101	2.9
297.22153	5.7
323.19949	2.6
341.20789	2.3
375.26611	2.9
393.27679	3.6
397.23358	3.4
403.26190	5.8
421.27225	6.1
439.27817	4.6
457.28940	2.9
486.92068	2.7
495.30814	13.1
512.50000	4.1
513.31891	100.0
514.32477	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01862	2.1
55.05498	13.2
57.03415	7.8
57.07062	3.4
61.02923	15.3
67.05496	29.5
69.03410	8.2
69.07053	13.4
69.59216	16.1
71.01362	2.5
71.04977	4.1
73.02884	3.6
79.05486	30.9
81.03422	12.3
81.07043	31.1
83.04960	2.2
83.08602	5.9
85.02903	13.1
85.06533	3.8
91.03925	7.1
91.05476	33.2
93.07030	42.8
95.04982	4.6
95.08608	21.6
97.02867	10.7
97.06537	7.1
99.04455	2.1
99.08073	3.5
105.07022	29.2
106.09908	1.9
107.04881	2.4
107.08585	30.9
109.06470	3.1
109.10139	7.1
111.08035	2.3
117.07006	11.2
119.07748	2.3
119.08570	31.7
121.06495	2.7
121.10136	24.5
123.08081	2.6
123.11702	3.2
125.09605	2.3
127.03880	4.6
129.06973	8.1
131.08553	22.1
133.06395	3.0
133.10120	22.8
135.08012	2.1
135.11682	23.6
137.09624	4.5
141.06932	3.2
143.08540	10.2
145.06465	3.4
145.10130	19.5
147.11653	24.8
149.09604	4.4
149.13248	16.6
153.01883	2.0
157.10098	11.2
159.08041	1.8
159.11688	13.3
161.09625	2.7
161.13278	20.6
163.11217	2.5
163.14778	4.1
167.08492	2.4
169.10045	3.5
171.11676	10.3
173.13203	9.5
175.11070	2.9
175.14784	12.0
177.12755	2.6
179.14255	2.7
185.13187	9.9
187.14803	5.2
191.14249	2.8
193.12083	2.1
195.11801	2.8
197.13298	3.5
199.14778	5.2
213.16493	2.4
231.17462	2.2
231.21097	3.7
241.19460	19.5
257.18921	2.3
259.20557	46.1
275.20041	4.6
277.21622	7.7
333.24359	9.1
349.23776	4.0
351.25262	100.0
352.25464	2.8
367.22452	2.9
385.40686	2.0
403.25739	2.4
421.26706	2.8
441.26328	8.3
459.27206	3.7
465.65482	2.4
477.28534	4.6
495.29974	7.8
513.32092	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01863	2.8
55.05506	10.3
57.03424	6.0
57.07053	3.0
61.02916	16.0
67.05498	25.5
69.03418	5.8
69.07058	11.3
69.58620	6.7
69.59058	6.5
71.04977	3.1
73.02906	5.2
79.05482	36.4
81.03408	11.1
81.07042	33.9
83.04967	2.9
83.08603	6.8
85.02899	7.5
85.06519	4.5
91.03944	6.8
91.05473	31.4
93.07036	38.3
95.04955	5.6
95.08597	22.4
97.02847	7.9
97.06543	4.4
97.10159	2.6
99.08085	1.7
101.02375	1.7
105.07020	28.3
107.04957	3.4
107.08569	26.3
109.06512	4.4
109.10168	9.8
111.08078	2.3
115.05507	1.8
117.07011	11.4
119.08571	28.9
121.10122	19.8
123.08061	2.8
125.09569	1.5
126.07033	1.7
128.06258	2.4
129.05455	2.2
129.06972	7.5
129.82890	1.7
131.08554	16.1
133.10109	23.1
135.08043	3.6
135.11664	18.6
137.09607	3.6
141.06978	2.7
143.08580	10.3
145.06552	2.3
145.10106	19.2
147.08179	1.5
147.11664	24.2
149.09575	2.7
149.13249	13.1
153.01871	3.3
155.08571	2.2
157.10132	7.0
159.11655	17.0
161.13248	18.7
163.14780	5.1
165.12689	1.7
169.10139	3.5
171.11667	10.9
173.13310	8.4
175.11200	3.1
175.14806	10.8
177.12813	3.5
183.11758	2.6
185.13206	7.4
187.14810	2.9
189.12712	3.8
197.13229	3.2
199.14809	4.4
201.16444	2.2
203.14316	2.5
209.13318	1.7
213.16385	2.0
217.19478	2.3
231.21063	4.6
241.19492	19.9
241.38741	1.6
259.20554	42.7
271.20593	2.1
275.20020	4.8
277.21625	5.6
301.21716	2.3
333.24203	7.1
349.23764	7.0
351.25269	100.0
352.25583	3.8
361.23523	1.6
363.25107	2.0
367.23193	2.2
370.09317	1.6
375.25195	1.9
395.10934	2.0
403.24976	1.6
417.26126	2.2
421.27048	2.5
441.26611	2.8
459.27448	3.2
477.28787	2.3
495.29688	5.7
513.17505	1.6
513.32300	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.0
55.01855	9.9
55.05505	19.6
61.02909	10.7
65.62278	3.0
65.76837	2.8
67.05496	42.7
69.03422	6.8
69.07062	31.3
70.55355	9.4
71.04963	5.5
72.50414	2.7
79.05483	47.3
81.03405	48.1
81.07056	53.0
83.04979	5.2
83.08608	10.1
85.02897	11.3
85.06508	3.9
91.03928	6.6
91.05471	52.5
93.07035	48.6
95.04976	15.6
95.08581	29.0
97.02882	6.9
97.06512	13.8
97.10155	7.9
99.08067	3.5
101.10503	2.7
103.05408	3.3
105.07008	39.3
107.04952	10.5
107.08577	25.8
109.06506	9.9
109.10127	17.1
117.07000	16.9
119.08575	39.4
121.06468	7.8
121.10138	18.5
123.08036	4.2
125.09605	8.9
129.07011	17.8
130.54314	3.4
131.08528	29.0
133.10127	28.3
135.08020	7.0
135.11681	13.0
137.09636	9.4
141.06990	6.4
143.08559	10.6
145.06404	4.4
145.10095	20.3
147.07985	6.3
147.11649	24.6
149.09576	14.1
149.13258	7.1
151.11176	4.9
153.01791	3.5
154.07733	2.9
155.08542	7.6
157.10152	11.1
159.08076	4.3
159.10501	3.0
159.11627	16.1
161.09488	3.6
161.13228	13.3
163.11188	6.9
165.09103	9.0
168.09213	3.7
169.10138	11.4
171.11665	12.6
173.13295	9.7
175.11279	6.2
175.14787	4.9
177.09082	3.0
181.10144	6.1
183.11713	4.7
185.09480	5.0
185.13234	10.4
187.11205	5.5
188.63329	3.2
193.10065	3.8
195.11711	6.3
197.13261	3.6
199.14821	5.2
201.08932	3.3
209.13301	5.2
213.16417	3.2
241.19601	8.8
253.16026	3.2
257.19061	5.8
259.20609	26.8
275.20013	14.0
349.23672	5.6
351.25293	57.2
357.21426	3.3
367.22742	3.6
393.27731	4.3
403.25659	6.5
421.27023	13.3
443.22955	3.7
459.27658	3.9
477.15860	4.3
486.05743	3.1
495.16461	4.5
495.30371	12.2
513.32086	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
55.01865	4.9
55.05507	21.5
58.71505	3.1
61.02911	18.6
67.05497	48.2
69.03416	10.8
69.07067	23.9
70.93082	10.7
71.04974	3.9
72.46724	3.6
73.02909	8.7
79.05485	56.9
79.35354	3.2
81.03060	2.9
81.03413	30.2
81.06606	4.4
81.07050	59.0
83.04973	5.3
83.08584	10.5
85.02895	17.6
85.06536	3.2
91.03934	10.6
91.05476	58.5
93.07030	61.9
95.04964	15.4
95.08593	37.5
97.02860	12.5
97.06520	12.1
99.08080	5.3
105.07019	52.3
107.04978	5.0
107.08571	45.5
109.06463	6.5
109.10143	19.8
117.06990	18.3
119.08572	46.5
121.06487	4.1
121.10111	30.9
123.08035	3.8
127.03942	5.9
128.06145	3.9
129.06990	17.7
131.08565	21.8
133.10100	37.6
135.08018	6.8
135.11681	33.4
137.09644	4.8
138.68655	3.7
142.07802	5.0
143.08585	18.4
145.10100	29.6
147.08017	3.8
147.11665	32.1
149.09615	7.4
149.13217	16.3
153.01788	4.6
157.10083	18.4
159.08087	3.7
159.11667	15.2
161.13240	25.7
163.11195	5.9
163.14787	4.8
169.10013	8.4
171.11667	17.1
173.13235	9.6
175.11162	6.0
175.14838	14.2
177.12730	5.1
179.14262	14.0
181.10065	5.4
183.11668	6.9
185.13271	14.7
193.12320	4.8
195.11702	5.6
199.14799	7.7
203.14340	4.6
215.41142	3.5
241.19484	18.7
259.20547	45.8
275.20078	6.6
277.21594	13.6
333.24063	8.2
336.36151	3.3
349.23563	8.4
351.20889	6.6
351.25256	100.0
352.25580	5.4
403.26334	5.2
421.27380	5.0
495.30191	6.8
505.53281	3.9
513.31958	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59369	1.4
65.83945	1.7
71.73214	1.5
71.73616	2.5
82.76929	1.5
85.02860	2.2
86.75883	1.5
90.41212	1.7
101.00877	7.6
103.02420	2.7
112.89603	5.7
113.00860	3.0
117.04014	2.6
119.01904	29.9
121.01675	4.5
121.03465	2.1
127.02408	4.2
131.01900	12.1
133.01474	1.6
133.03439	2.7
135.05038	2.3
137.02907	3.8
139.02431	2.1
143.01894	19.7
145.01703	2.0
145.03461	25.2
147.01385	4.1
149.02957	1.9
155.01892	16.1
156.96829	1.4
157.01605	2.5
157.03491	8.6
158.01248	1.5
159.05011	4.5
161.02959	37.1
163.04515	6.6
167.01883	7.9
168.33815	1.6
168.70161	1.6
169.03503	8.2
170.99879	1.8
171.01382	9.6
171.05037	5.7
173.02951	31.4
175.02771	4.2
175.04437	2.7
177.02608	1.6
179.01797	3.3
184.04568	2.6
185.02956	48.4
185.04485	1.7
187.02751	4.6
187.04517	17.5
189.00826	2.6
189.02460	19.4
197.02983	16.0
199.02869	1.7
199.04558	7.1
201.02397	3.2
203.04028	16.2
205.03662	2.1
207.03487	8.2
208.04646	2.1
213.02385	4.0
215.04048	9.6
217.03833	1.8
221.05075	3.9
227.04012	9.8
231.03471	68.6
231.05704	2.3
231.06888	3.8
232.03635	3.3
239.04057	2.3
243.03456	11.1
245.05061	100.0
246.05296	9.4
247.04857	9.0
249.04651	12.7
255.03391	3.4
257.05127	7.4
261.04529	13.8
263.06161	13.6
271.06592	5.6
272.06137	2.8
273.04568	2.6
275.06116	15.3
291.05487	10.9
293.07178	5.6
305.07303	8.6
315.05774	2.7
333.06604	19.5
335.08118	4.4
351.07617	9.9
365.09387	9.2
381.08063	3.5
477.08646	2.3
513.12244	34.9
514.11993	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.9
57.03440	8.1
57.07069	3.0
58.10839	1.3
64.02744	1.4
64.83652	1.3
67.05499	27.7
69.07072	15.4
69.81487	10.4
74.13950	1.3
75.04461	1.5
79.05486	7.6
81.06590	2.4
81.07049	29.6
83.08615	7.8
91.05462	6.7
93.07037	8.8
95.08601	23.9
97.06512	2.0
97.10163	4.4
98.98459	47.1
105.07031	5.4
107.08588	6.5
109.10163	8.7
119.08580	3.8
121.10123	5.4
123.11698	3.7
133.10132	3.2
135.11664	2.0
147.11659	3.1
155.01019	5.8
163.14859	1.4
173.02112	8.7
228.36850	1.6
245.22734	2.4
263.23648	2.6
305.48337	1.4
337.27341	100.0
338.27679	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2719
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
52.88727	0.4
55.05506	0.4
67.05484	1.4
69.07058	0.4
69.59900	3.6
79.05477	0.8
81.07049	1.2
81.15642	0.4
83.04967	0.5
91.05472	1.0
93.07037	0.5
95.08563	0.5
105.07052	0.5
107.08600	0.4
109.10107	0.7
117.07021	0.5
119.08540	0.7
143.08524	0.5
145.10146	0.9
152.85294	0.5
171.89729	0.4
183.11728	0.4
206.45383	0.4
273.17001	0.9
291.18158	0.4
309.18811	0.4
329.22928	0.4
430.05545	0.4
471.92270	0.4
509.27148	100.0
510.27301	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.0
54.49099	0.8
55.05486	2.6
57.03414	1.8
62.92381	0.9
67.05498	5.7
69.07039	3.1
69.85558	0.8
70.85641	1.8
70.85965	1.1
71.04965	3.3
76.03769	0.8
77.23439	0.7
79.05468	4.0
81.03395	3.1
81.07047	8.0
83.04975	2.0
83.08614	1.1
85.02859	1.1
91.05462	2.3
93.07014	4.1
95.04942	1.8
95.08584	5.1
97.06509	2.0
97.10164	1.0
105.07030	2.9
107.04919	0.9
107.08585	2.8
109.10134	3.0
111.04391	0.7
111.08100	0.9
113.44588	0.8
117.06976	1.2
119.01894	2.4
119.08521	2.3
121.10092	1.4
127.03897	1.2
131.08582	1.1
133.10133	1.9
135.08020	1.1
141.52838	0.8
143.01880	1.7
157.03438	1.1
161.02937	1.2
175.04466	1.4
193.12219	1.0
203.05367	1.0
227.05267	1.6
228.23129	0.9
245.06335	8.9
269.04294	2.1
287.03665	8.7
289.05267	100.0
298.04739	1.5
299.05298	1.3
383.11282	1.8
395.11203	5.8
425.12207	1.2
463.13519	1.6
465.24423	5.4
481.14670	1.4
491.13123	3.4
499.91006	1.0
509.14438	4.1
509.23404	48.1
510.23929	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.2
67.05484	3.1
69.07064	2.6
71.33672	1.8
79.05472	4.3
81.03413	2.2
81.07048	3.9
82.38995	0.8
83.05004	1.1
83.08606	0.9
85.02882	1.3
85.06527	2.9
91.05463	3.1
93.07023	3.8
95.04962	1.7
95.08600	3.4
97.06528	2.8
98.73277	0.8
105.07008	2.5
107.08580	2.9
109.06525	0.8
109.10152	2.0
117.06979	1.3
119.01879	2.1
119.08580	2.3
121.10155	1.3
133.10110	1.2
135.11678	1.2
143.01901	1.2
145.10123	1.4
147.11758	0.9
157.03406	0.8
161.02950	1.5
163.11089	1.2
187.00931	1.4
201.03754	0.9
203.05254	2.7
209.11671	1.1
227.05350	1.4
243.04761	7.3
243.17061	1.4
245.06326	8.7
245.18631	0.9
261.18259	5.6
267.42456	0.9
271.04214	2.9
283.06058	1.2
287.03690	70.3
289.05264	86.7
290.05661	1.2
299.05362	1.5
303.18100	0.9
339.05145	0.9
372.13791	0.9
383.10919	2.0
390.06830	0.9
395.11246	9.1
421.12604	1.1
425.12122	2.2
425.17432	1.3
447.23602	7.4
463.13895	2.5
465.24515	10.1
487.69910	1.1
491.14224	4.3
491.22427	100.0
492.22830	3.2
509.14417	10.0
509.23447	41.7
510.23596	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25630	0.9
55.05501	1.7
57.03426	1.1
67.05483	3.9
69.07074	1.1
71.06450	1.7
71.06783	1.1
79.05489	5.0
81.03387	2.6
81.07042	3.5
83.04967	0.9
85.02859	0.9
85.06519	3.4
91.05460	2.7
93.07024	4.6
95.04922	1.2
95.08572	2.0
97.06526	2.3
97.10142	1.1
105.06982	2.4
107.08551	2.6
109.10148	1.4
117.07004	2.0
119.01917	2.3
119.08601	1.8
119.52775	0.9
121.10065	1.0
135.11700	1.6
143.01849	1.3
145.10051	0.9
161.02965	1.3
203.05255	2.2
209.11739	1.2
211.13196	0.9
227.05223	1.5
227.12691	1.6
243.04747	8.2
243.17262	1.1
245.06279	8.5
253.90176	1.0
261.18292	6.3
271.04190	2.0
287.03708	67.1
288.03976	1.3
289.05264	87.4
395.11313	2.7
414.05170	0.9
419.11526	1.1
423.23608	1.1
425.11984	1.4
425.17801	1.2
447.23477	8.1
465.24576	10.6
473.12091	1.0
491.22470	100.0
492.22510	2.9
509.15588	2.4
509.23416	57.5
510.23782	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	23.2
57.07076	17.1
62.06081	32.5
67.05483	26.3
69.07060	26.4
69.27779	2.5
69.45546	17.7
69.45960	8.1
70.07384	2.3
71.08615	10.2
76.30685	2.3
78.32301	2.4
79.05473	11.8
81.03389	3.7
81.07043	27.2
82.07373	4.3
83.08606	19.6
85.06509	2.8
85.10169	3.4
91.05489	6.1
92.05812	3.0
93.07043	15.2
95.04972	2.6
95.08605	19.9
96.08923	3.3
97.10165	12.7
98.20719	5.4
98.98462	7.6
104.27904	2.9
105.07002	4.6
107.08583	8.3
109.10143	14.9
112.89984	2.3
121.10135	7.1
123.11713	5.4
133.08577	2.4
133.10065	2.9
135.11644	6.9
136.12077	2.5
145.09874	2.6
154.03596	2.4
155.01035	9.2
191.74539	2.2
216.06134	4.1
229.14192	2.6
262.22760	2.6
336.32578	14.2
367.32028	100.0
368.32153	3.3
447.28683	4.3
490.34857	2.7
508.34695	5.2
508.40723	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	28.2
55.13869	5.4
56.55941	5.5
57.03430	14.7
57.07078	26.1
60.08134	13.9
67.05502	51.2
69.07061	49.4
69.56516	53.6
71.08623	13.2
79.05502	35.7
81.07053	61.5
83.08614	50.8
85.02899	6.8
86.09702	32.6
90.80472	6.4
91.05457	6.3
93.07031	33.5
95.08611	44.8
97.06508	14.1
97.10160	26.2
104.10745	50.3
107.08583	31.7
109.10152	17.2
111.08077	11.4
121.10118	62.0
123.11691	18.0
125.00002	21.1
131.05472	5.2
135.11694	52.4
137.13216	21.8
142.90556	5.5
145.10028	6.2
149.13242	19.9
163.14813	7.9
183.96172	5.5
184.07338	53.8
205.12010	6.0
219.21075	78.3
220.31750	5.8
227.71097	5.8
232.35178	5.7
237.22110	99.0
255.23201	26.5
311.25760	100.0
315.25018	5.3
329.26871	22.1
490.32568	7.3
508.33847	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53613	0.4
55.96713	0.4
59.85991	0.4
69.96712	0.6
70.74013	1.5
79.05469	0.5
84.12407	0.5
85.02896	0.9
91.05442	0.6
93.07017	0.5
98.20806	0.5
103.05453	6.5
107.04938	1.3
109.04282	0.5
120.08088	100.0
121.08416	1.5
127.03856	0.6
131.04883	2.3
145.04910	0.5
149.05995	1.4
166.08618	53.9
255.51073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.5
57.03408	3.6
61.02915	3.4
67.00964	2.3
67.05482	8.6
69.03408	6.2
69.07059	5.4
70.06606	3.9
71.04977	3.8
72.08131	4.5
78.05301	2.5
79.05483	9.8
80.04998	2.7
81.03412	28.3
81.07031	8.3
82.06588	4.5
82.09076	2.3
83.04951	3.5
83.08611	13.1
84.04472	2.5
84.08157	2.9
85.02886	14.9
86.09689	12.1
90.58512	2.6
91.05474	13.2
93.07023	8.4
95.04954	14.1
95.08560	5.7
97.02888	6.3
97.06503	2.8
100.07624	5.8
105.06997	7.9
107.04975	3.5
107.08556	3.8
109.02816	2.8
109.06504	2.9
109.10097	3.8
111.08089	12.2
119.08537	7.2
120.08079	7.9
121.08385	3.0
121.10133	5.4
127.03883	3.2
131.08522	7.9
133.10126	4.0
137.05954	7.2
137.09572	2.9
140.10747	2.8
147.08044	4.0
147.11668	8.8
151.07547	2.8
155.52536	2.6
157.10133	7.8
163.03801	2.9
175.11165	8.7
193.12204	43.8
211.13248	42.4
229.14357	7.3
267.15903	23.1
285.16934	100.0
303.05029	3.2
317.06592	3.7
328.21182	6.2
346.13177	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01876	2.4
55.05260	2.9
55.05505	29.3
57.03426	5.9
57.07066	27.9
59.04991	2.8
65.03926	3.3
67.05496	100.0
69.03420	2.5
69.07058	27.9
69.65857	16.2
71.04974	4.0
71.08625	18.3
73.06548	2.2
79.05479	34.3
80.79649	2.1
81.03418	2.1
81.07043	91.6
83.04974	3.3
83.08607	25.5
85.06519	4.5
85.10159	8.9
91.05466	29.6
93.07033	52.9
95.04955	4.9
95.08591	50.1
95.70458	1.8
97.06538	5.9
97.10154	18.2
99.08080	3.2
105.07005	16.8
107.08566	31.3
109.06522	2.3
109.10143	63.4
110.10460	2.0
111.08081	4.0
111.11721	2.0
117.06991	10.0
119.08570	14.9
121.10130	18.4
123.08069	3.4
123.11684	11.9
125.09614	8.2
131.08527	11.4
133.10106	13.0
135.07980	2.5
135.11647	16.7
136.06206	2.2
137.09554	3.0
137.13223	3.0
143.08507	2.6
145.10106	10.3
147.11650	11.2
149.09631	2.2
149.13234	16.7
153.12666	1.8
159.11673	9.4
161.13258	5.7
163.14796	2.4
171.11661	2.9
173.11726	10.4
173.13280	7.0
187.14865	2.9
189.11183	8.1
195.13832	6.5
213.14696	2.3
227.12732	7.4
229.14282	24.5
239.23712	6.1
243.21219	2.4
261.22141	17.3
335.25677	14.6
379.29663	2.9
397.30994	6.4
415.31876	6.2
433.33124	5.3
440.25476	2.1
471.34564	4.4
489.35739	30.2
507.41290	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3678
Annotation	Gymnemagenin
Peak:m/z	Relative Intensity
51.09402	5.8
55.01854	8.6
55.05504	41.3
57.03420	7.3
57.07069	12.5
66.02287	5.6
67.05498	100.0
69.03424	12.2
69.07054	25.8
70.87144	18.2
71.04984	9.2
71.08601	36.0
73.16053	5.3
79.05489	56.6
81.03396	17.8
81.07050	93.2
83.04980	11.5
83.08600	20.9
85.02882	7.8
91.05451	57.4
93.07027	53.4
95.04960	25.8
95.08595	55.6
97.06519	17.6
97.10169	21.3
99.08079	18.6
105.07021	66.0
107.04902	10.1
107.08572	32.2
109.06527	12.0
109.10170	29.8
111.08089	8.5
117.07015	23.4
119.08562	37.9
121.06450	14.4
121.10137	23.1
123.08102	9.6
123.11693	12.2
125.09578	8.7
125.83640	5.9
129.07011	13.1
131.08528	31.9
133.10143	28.3
134.24800	6.8
135.08044	10.3
135.11668	20.9
136.09857	5.7
137.06033	7.2
137.09633	11.4
143.08484	10.9
145.10091	32.7
147.08061	9.2
147.11630	19.2
149.13199	10.2
151.11209	9.4
155.08510	12.4
157.10114	12.6
159.07872	5.5
159.11681	24.5
161.09656	12.2
161.13219	11.6
165.12764	8.9
167.08365	5.6
169.10008	7.0
171.11707	15.4
175.11143	10.5
177.12700	14.6
183.11537	9.2
185.13322	12.2
187.14729	7.0
219.53824	6.0
221.13287	6.5
259.16824	8.3
277.21613	20.7
289.05215	13.1
317.24860	6.5
339.23465	6.8
342.13080	6.9
355.26236	11.3
357.24316	9.2
361.46994	6.4
373.27008	10.5
375.24948	16.1
412.21783	7.5
453.33649	21.8
471.34540	35.8
489.35712	44.7
507.13498	7.2
507.21552	9.9
507.37234	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3238
Annotation	LysoPE(0:0/20:2(11Z,14Z))
Peak:m/z	Relative Intensity
55.05511	16.2
57.03427	4.5
57.07073	10.4
62.05794	2.5
62.06085	41.1
67.05499	41.0
68.05836	2.5
69.07062	20.2
69.51151	8.8
69.51579	9.6
71.08615	6.9
79.05489	9.9
81.03401	13.4
81.07051	43.1
82.03693	2.3
83.08625	13.7
85.10147	3.1
87.71803	2.1
91.05460	9.2
93.07037	11.2
95.04955	5.4
95.08605	34.4
97.06451	3.1
97.10154	6.1
98.21474	3.7
98.98464	12.4
105.07036	4.8
107.04950	2.4
107.08566	9.7
109.10140	16.5
110.10477	2.2
111.08118	2.5
119.08569	4.1
121.10133	8.3
122.44128	2.1
123.11701	5.6
123.50728	2.0
124.01637	2.5
131.08563	2.7
133.10071	3.7
135.11647	4.0
146.78036	1.9
147.11636	2.4
149.13164	2.2
155.01003	8.8
173.02090	2.1
188.12100	2.0
193.05174	2.0
193.12166	6.3
194.12444	4.6
195.00272	4.6
198.02222	2.0
198.05341	2.7
216.06303	5.1
220.17516	2.1
233.15112	1.9
291.26743	8.0
334.31140	12.1
347.29419	3.0
365.30484	100.0
366.30917	2.6
506.39496	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.1
55.05505	15.1
57.03429	9.0
57.07059	1.9
58.24508	0.7
65.03911	1.9
67.05494	33.7
69.06682	1.1
69.07059	19.6
70.06572	1.8
71.07466	2.1
71.08620	0.8
71.57133	0.7
72.08144	66.0
79.05476	10.2
81.07047	31.9
81.07536	1.5
83.04954	1.2
83.08611	9.5
85.06527	0.7
91.05457	6.7
91.84923	0.7
93.07031	10.0
94.07328	0.6
95.04934	1.2
95.07990	1.6
95.08589	24.2
97.06522	2.5
97.10158	5.5
98.98419	0.9
105.07031	4.1
107.08583	5.5
109.09483	1.1
109.10141	8.7
111.11702	0.7
119.08579	4.5
121.10142	4.0
123.11686	2.6
133.10117	4.2
135.11681	2.4
137.13199	1.1
147.11681	2.1
149.13150	1.0
153.23587	0.7
163.14789	0.8
170.05757	53.8
180.75500	0.8
244.09344	0.8
263.23624	1.3
335.25305	0.9
337.27325	100.0
338.27606	2.1
362.30417	0.7
492.54349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	6.9
55.05495	22.5
55.53325	6.1
58.53796	5.0
61.02902	6.1
64.76679	4.5
65.03915	7.4
65.40880	5.3
67.05479	16.1
69.03421	35.5
69.07059	7.9
69.49090	36.2
69.49495	9.9
70.06581	5.8
70.46074	5.2
71.04965	6.5
79.05484	25.9
81.03407	29.6
81.07034	17.6
83.04957	14.6
83.08606	50.5
84.08096	4.6
85.02894	53.4
85.06503	7.4
86.09686	23.5
87.00834	25.2
91.05463	18.3
93.07011	19.2
95.04945	10.6
95.08585	14.6
97.02876	35.3
97.06522	18.8
98.20748	12.6
99.04430	18.9
105.01852	21.3
105.06999	18.8
107.04927	16.8
107.08588	100.0
109.02846	20.0
109.06514	10.3
109.10144	36.3
117.01878	6.6
117.06969	5.4
119.08569	21.3
121.10123	14.0
123.08058	31.2
125.05963	18.9
125.09614	86.5
127.03902	25.8
131.08643	5.1
135.11673	17.6
137.05940	9.2
137.09572	15.3
138.06470	4.9
145.04936	8.6
145.10104	12.2
147.08018	19.9
150.05399	5.4
151.07523	13.4
153.12730	14.3
159.02847	12.6
159.11681	20.0
163.03835	6.3
163.09998	7.0
163.11133	36.0
165.09074	31.8
167.07011	7.7
177.12663	9.3
181.12218	49.5
189.12587	5.9
205.12225	18.0
207.13791	7.0
207.80086	5.6
223.13283	13.9
229.34941	5.6
283.15326	5.6
330.07980	5.3
386.93680	5.6
398.83536	6.1
408.07791	5.8
522.23022	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01865	2.7
55.05507	18.6
57.07069	43.8
62.93813	1.2
65.03961	1.5
67.05499	40.6
67.25946	1.2
69.03419	3.0
69.07061	20.5
69.47856	13.0
71.04990	4.3
71.08625	31.3
79.05491	23.6
79.05925	2.3
81.03410	100.0
81.07048	39.3
83.04994	4.4
83.08611	35.4
85.10169	17.5
91.05463	27.2
92.12789	1.1
93.07038	14.1
93.54573	1.4
95.04955	27.9
95.08598	39.9
95.09180	2.1
97.02884	2.7
97.06560	3.9
97.10167	8.3
99.08094	2.0
103.05441	1.5
105.07018	18.7
107.04961	4.2
107.08581	13.2
109.06551	2.6
109.10144	20.3
111.04475	2.7
111.08064	6.2
111.11710	3.0
115.05461	1.6
117.07039	3.7
119.08565	16.8
121.06523	2.9
121.10120	7.1
123.04421	3.1
123.08054	2.2
123.11676	6.0
128.06178	1.7
129.07010	10.3
131.08562	11.1
133.06497	3.7
133.10124	5.9
135.11737	3.7
137.09616	2.8
137.13248	2.8
141.07021	1.3
142.07788	3.8
143.07033	2.6
145.10158	2.5
147.08080	3.9
147.11673	8.4
149.09691	3.5
149.13266	2.0
151.14847	1.6
157.10129	11.5
159.11798	1.7
161.13318	2.5
163.11241	1.7
165.12758	2.3
173.13283	1.7
175.11185	9.2
179.14346	2.5
193.12227	73.0
194.12685	1.2
221.22749	1.4
229.14388	1.6
231.13887	1.8
239.23682	9.7
241.19420	1.3
249.14906	5.9
261.21997	1.2
395.29651	2.1
413.30646	1.9
487.34045	7.9
505.39035	86.7
506.39084	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.01862	2.6
55.05500	17.8
57.03423	2.0
57.07067	46.3
60.34677	1.0
65.03927	1.9
67.05132	2.1
67.05491	38.0
67.05840	2.3
69.03418	2.2
69.07059	14.1
69.85030	1.1
69.85353	8.8
71.04974	1.9
71.08621	34.6
71.26849	1.1
79.05481	17.7
81.03407	88.0
81.07045	30.6
81.07536	1.8
82.03790	1.2
83.04970	3.7
83.08609	35.4
84.82479	1.2
85.10172	17.0
91.05463	22.0
93.07032	13.3
95.04961	29.3
95.08595	34.0
97.02871	2.4
97.06523	1.8
97.10150	9.3
99.08092	1.9
105.07012	12.8
107.04945	5.6
107.08581	6.4
109.06499	2.7
109.10152	19.2
111.08066	9.0
111.11739	1.7
117.06978	1.5
119.08549	13.2
121.06525	3.1
121.10136	6.6
123.04459	1.5
123.08073	2.7
123.11683	7.1
125.13254	2.7
129.06975	10.9
131.08551	7.6
133.06477	3.4
133.10129	5.5
135.11688	3.3
137.09560	1.6
137.13228	2.8
142.07756	1.4
147.08063	3.6
147.11691	8.3
149.09618	4.5
149.13277	1.7
151.11124	1.4
151.14873	2.0
157.10124	8.4
164.36256	1.3
165.12807	2.0
175.11191	11.2
179.14299	4.5
193.12215	62.5
227.42567	1.4
239.23605	9.2
249.14841	8.1
272.81772	1.2
277.21512	2.9
323.72089	1.4
475.40311	1.1
505.38928	100.0
506.39618	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
55.05495	8.1
57.03423	9.4
59.22025	1.8
67.05498	22.8
69.07055	8.2
70.93452	4.0
70.93784	4.1
71.04983	3.2
79.05482	21.8
81.03376	2.7
81.07054	27.5
83.08620	4.2
85.06551	2.4
91.05460	26.4
93.07033	28.0
95.04945	4.3
95.08591	18.5
97.06530	3.8
97.10149	2.7
98.98459	63.5
103.03929	2.8
104.88031	1.9
105.07014	24.1
107.04948	2.0
107.08562	13.9
109.10151	8.2
117.07003	8.0
119.08583	27.8
121.10120	15.4
123.55257	2.2
129.05490	4.4
129.06999	6.7
131.08534	17.0
133.10104	23.6
135.11671	13.4
143.08539	6.2
145.10120	12.8
147.08051	2.1
147.11673	17.7
149.13258	5.8
155.01047	16.0
157.10088	5.1
159.11684	12.5
161.13235	18.1
163.14761	2.8
171.11661	6.1
173.02097	12.0
173.13268	10.1
175.14766	15.2
185.13268	8.0
187.14717	4.2
199.14832	5.9
215.17940	7.1
217.19604	4.0
227.47316	2.2
229.04626	3.5
231.21060	4.8
241.19493	42.6
243.21178	3.0
247.05814	9.5
259.20563	33.6
275.19754	2.6
277.21555	2.1
315.23026	10.3
333.24210	100.0
334.24438	4.1
413.20731	6.2
487.24377	2.6
505.28696	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05271	1.1
55.05506	12.1
57.03436	3.9
57.07067	8.0
67.05501	9.2
68.50533	0.6
69.07062	16.2
70.49686	2.7
71.08620	6.8
71.14375	0.6
76.16432	0.6
79.05491	5.4
81.03416	9.7
81.07047	9.4
83.04967	1.2
83.08162	1.0
83.08614	13.0
85.10159	2.8
91.05444	3.1
93.07032	6.0
93.20534	0.8
93.71957	0.7
95.04964	2.8
95.08598	7.2
97.06506	1.5
97.10152	6.5
105.07018	3.4
107.04964	0.8
107.08578	3.2
109.10144	4.6
111.08070	1.2
111.11665	1.1
115.03651	1.2
117.06973	0.6
119.08571	2.5
120.96636	0.9
121.10130	2.6
123.11670	1.2
129.06985	1.3
131.08563	1.4
133.10103	1.7
135.11700	1.5
137.13217	0.8
147.11647	1.2
149.13254	0.8
156.97569	1.3
157.10117	0.7
163.14784	0.7
174.98506	1.3
175.11197	0.8
176.99265	3.3
193.12244	7.4
195.00287	100.0
213.00092	3.8
249.14850	1.1
269.02457	0.8
311.22440	1.2
311.25772	15.1
313.22144	0.6
333.24020	1.0
487.34244	1.5
505.25381	12.0
505.39526	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.3
55.05492	20.4
56.49413	4.4
57.07062	9.9
61.02902	7.6
67.05495	96.4
67.55511	4.2
69.03411	12.8
69.07046	19.1
71.04967	11.1
71.06313	11.3
79.05486	93.1
81.03396	10.7
81.07052	96.9
83.04993	4.9
83.08600	12.3
85.02895	12.4
85.06552	11.4
91.05471	44.4
93.07034	100.0
95.04968	12.9
95.08604	62.3
97.02863	9.3
97.06496	8.9
99.08081	9.4
105.07013	40.2
107.08568	56.1
109.06481	6.7
109.10144	32.1
111.08037	4.9
117.07016	22.6
119.08579	35.3
121.06442	6.6
121.10125	67.9
123.11678	22.6
125.09596	5.5
129.07007	8.7
131.08580	41.0
131.68132	4.5
133.10115	41.0
135.07997	5.2
135.11684	57.6
137.09621	9.4
137.13239	6.6
143.08557	5.8
145.10077	31.5
147.11690	25.2
149.09621	6.9
149.13272	28.2
157.10141	6.6
159.11682	36.3
161.13242	10.8
163.11177	12.8
171.11610	11.6
173.13258	25.7
183.11803	6.0
187.14778	11.0
205.19453	8.3
215.17934	82.6
223.86522	5.2
230.00291	4.8
231.17415	6.9
233.18983	88.5
249.18480	4.6
307.22556	5.7
325.23727	19.7
341.21033	11.6
359.22260	10.2
377.23291	14.8
395.24265	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79410	0.5
54.32854	0.5
55.05497	3.1
57.03423	0.8
67.05493	0.8
69.03423	2.8
69.07042	1.4
70.03648	2.9
70.06570	0.6
71.08611	5.1
72.08130	1.0
73.02911	0.7
79.05457	1.2
81.03394	1.7
81.07035	1.8
83.04955	1.8
84.08130	0.8
85.02901	3.6
86.06066	4.0
86.09698	0.7
87.93639	0.6
91.05452	0.7
93.07032	1.5
95.08571	2.0
96.08098	2.0
97.02865	1.6
97.06509	2.3
98.06026	0.8
98.09655	3.0
98.20738	1.0
99.04434	0.8
99.08071	2.5
101.06005	3.6
105.01828	0.5
105.06989	0.9
107.08591	1.4
108.08112	1.3
109.02822	0.9
109.10152	1.1
111.04422	3.2
116.09933	1.1
116.10713	15.1
119.08567	0.8
121.10095	0.6
122.09598	0.8
122.81628	0.6
126.09045	0.7
127.03907	1.4
129.05450	2.5
133.10135	1.1
135.11626	1.1
136.11148	0.8
140.10641	0.7
142.08665	0.7
143.10657	1.7
143.73611	0.5
145.10085	0.6
147.06488	2.4
147.07816	0.5
154.15913	3.6
155.06989	1.3
164.14384	0.8
165.09137	0.6
166.15898	2.4
168.17490	0.9
178.15895	1.6
182.15495	0.7
196.16917	7.0
208.13321	0.6
214.17987	100.0
215.06987	0.6
215.18300	1.6
226.14354	3.0
244.15387	3.6
259.09531	0.6
311.12744	0.7
312.13062	2.4
324.21588	1.8
342.22690	9.1
343.23041	0.6
376.23254	8.8
388.20297	0.5
406.20770	0.8
504.27734	2.8
508.88199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20217	0.3
52.40789	0.3
53.03944	0.6
55.01854	0.5
55.05505	3.2
57.03416	0.4
57.11416	0.3
58.42343	0.3
59.04990	0.6
59.33111	0.3
61.02917	0.8
61.40201	0.3
62.30472	0.3
65.67696	0.3
67.05486	0.8
69.03420	3.0
69.07052	0.9
69.61235	2.7
70.06572	0.7
71.05011	0.4
71.08287	0.4
71.08625	4.5
72.08115	0.5
73.02896	0.7
75.54989	0.3
79.05479	0.7
81.03391	1.3
81.07058	1.7
83.04968	1.7
83.08608	0.4
84.04478	0.4
84.08120	1.1
85.02898	3.7
86.06057	3.7
87.04481	0.3
89.43204	0.3
91.03955	0.4
91.05481	0.3
93.07003	0.5
95.08588	1.4
96.08115	2.1
97.02889	2.4
97.06499	1.1
98.06047	0.4
98.09682	2.6
98.19118	0.3
99.08071	2.3
100.11269	0.6
101.06007	3.6
105.06996	0.4
107.08566	0.9
108.08111	1.5
108.98772	0.3
109.02859	0.5
109.10188	0.6
110.09621	0.4
111.04440	3.9
114.09174	0.4
116.10720	14.2
119.08537	0.7
122.09664	1.0
126.09100	0.4
127.03913	1.0
129.05460	2.7
129.06979	0.4
133.10117	0.4
136.11186	0.5
137.05986	0.4
137.09618	0.4
140.10745	0.5
142.08633	0.5
143.10628	2.3
145.04930	0.3
147.06488	2.7
154.15872	2.6
164.10674	0.4
164.14301	0.4
165.09129	0.5
166.15866	2.2
168.17456	1.0
170.39082	0.3
172.09662	0.4
173.08017	0.7
178.15866	1.3
192.37070	0.4
196.16957	7.0
203.17943	0.5
214.17996	100.0
215.18361	1.7
226.14346	1.7
244.15433	4.6
270.46979	0.3
273.09912	0.4
324.21738	0.4
342.22708	6.7
376.23257	15.2
377.23630	0.4
388.19534	0.4
406.20572	1.1
504.28287	2.8
504.35153	0.6
525.13385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	12.3
54.48421	9.4
55.05481	16.8
67.05511	59.2
69.03409	20.8
69.07052	29.1
70.77111	21.7
70.77473	24.6
79.05474	37.4
81.03387	27.2
81.07050	66.1
82.41409	9.0
83.08609	19.9
85.02892	48.2
87.91343	10.7
91.05443	24.7
93.07034	86.9
95.08616	60.4
97.02860	20.8
97.06532	24.3
105.01855	22.1
105.07039	76.5
107.08576	64.5
109.02873	15.9
109.10147	100.0
111.08041	11.5
119.08557	62.9
121.10133	37.0
127.03906	31.4
133.10101	49.5
135.11694	53.6
145.04924	13.3
147.11661	77.4
161.13232	18.6
203.17917	95.0
312.12857	13.6
347.20508	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.2
55.01857	7.4
55.05513	22.0
59.04969	3.4
67.05502	22.7
67.26138	3.4
69.03414	6.3
69.07063	21.8
70.35719	13.2
71.04974	7.9
79.05475	20.0
81.03407	5.9
81.07048	56.3
83.04961	5.0
83.08619	9.5
85.02902	9.2
87.00812	4.5
91.05443	28.3
93.07037	100.0
95.04956	8.9
95.08595	42.5
97.02878	5.1
97.06520	20.9
97.10175	7.8
103.05420	3.9
104.73808	3.4
105.01858	5.3
105.07010	51.1
107.08574	47.5
109.10141	57.2
111.08079	25.0
117.06995	3.5
119.08562	39.1
121.10156	22.5
123.11684	15.2
127.03889	5.3
131.04906	9.3
131.08545	4.5
133.10110	25.2
135.11682	52.5
137.09628	3.6
146.57562	3.1
147.11667	44.4
153.01814	34.0
161.13243	16.3
163.03941	3.7
163.14784	5.4
165.12790	6.4
171.02841	15.1
180.49686	3.2
191.31779	3.4
203.14270	3.7
203.17943	46.9
221.15326	4.6
221.19006	11.9
257.08047	59.6
267.07660	4.9
289.05231	8.0
311.12790	7.8
312.13007	22.1
504.25711	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.8
55.01860	7.9
55.05506	14.2
57.03436	3.5
57.07060	3.8
58.99569	2.7
61.02925	2.8
62.96170	2.5
63.54814	2.4
67.05491	20.6
67.26511	2.7
69.03423	20.7
69.07057	18.9
69.53747	19.0
69.54149	6.9
70.06571	5.3
71.04974	5.7
71.08612	3.5
73.02904	8.1
79.05476	13.5
81.03409	22.6
81.06593	5.0
81.07044	69.6
83.08611	9.9
84.08154	3.1
85.02889	59.5
85.06533	6.8
87.00821	24.3
91.05450	21.5
93.07033	28.3
95.04910	6.7
95.08587	53.1
97.02879	21.1
97.06518	20.4
99.04443	9.8
100.11247	3.5
105.01850	28.7
105.07011	70.5
106.95365	2.9
107.08584	30.8
109.02875	16.2
109.06490	7.3
109.10134	38.1
111.08084	3.8
116.10717	4.8
117.01802	4.2
117.06952	4.8
118.06480	3.3
119.08563	96.0
121.10138	22.2
123.11704	21.1
127.03889	40.9
129.01862	3.3
131.08566	7.3
133.10107	38.5
135.11674	9.5
137.09592	4.8
137.13213	3.8
141.12743	8.1
145.04919	23.6
145.10101	6.4
147.11662	67.0
149.13240	6.4
159.02882	11.0
159.11711	3.7
160.12439	3.0
161.13249	16.4
163.03864	3.2
163.14763	6.7
165.09081	3.5
165.12787	7.8
167.05551	4.4
179.33763	3.3
192.13831	8.5
203.17931	100.0
204.18309	3.9
221.19037	17.7
231.04993	14.8
249.06009	7.4
284.09769	11.1
299.06137	3.2
300.06232	5.5
312.13141	7.1
332.25894	6.6
350.26855	12.9
406.20746	4.6
504.27039	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01862	3.1
55.05499	10.1
57.03413	3.8
57.07072	3.8
67.05499	30.3
69.03426	5.1
69.07066	19.9
70.06564	3.0
71.04948	3.3
71.74538	3.8
79.05473	23.0
81.03395	6.0
81.07045	55.3
83.04910	3.0
83.08612	6.3
85.02881	10.6
86.06052	3.5
91.05459	42.1
93.07041	32.4
95.04945	5.1
95.08595	62.2
97.02887	6.3
97.06505	10.6
97.13258	2.8
105.01868	8.1
105.07016	75.2
107.08582	34.4
109.02848	5.6
109.06509	3.8
109.10145	46.4
116.10689	4.7
117.07001	6.0
119.08565	56.6
119.17817	2.6
121.10121	23.1
123.11672	11.5
127.03897	11.5
131.08540	5.4
133.10107	32.0
135.07986	4.4
135.11678	12.4
145.04903	5.6
145.10078	6.9
147.11667	93.6
149.13228	3.9
159.11674	3.1
161.13225	13.1
163.07547	3.7
163.14827	6.5
165.12730	3.1
175.14819	11.0
203.17929	100.0
214.17891	4.2
221.18985	8.7
226.14421	4.3
244.15384	8.7
259.11017	3.3
280.97064	3.0
311.12717	8.0
312.13150	14.2
388.19531	3.4
406.20541	6.6
471.09796	3.3
486.12796	3.3
504.27017	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01860	3.1
55.05505	48.7
57.03426	2.2
57.07069	14.3
61.24158	0.8
65.03928	1.3
67.05497	19.0
69.03420	2.3
69.06681	2.2
69.07059	44.8
71.01343	1.1
71.04993	1.9
71.08624	10.5
71.49242	2.0
79.05484	16.9
81.03408	100.0
81.07044	20.4
81.07478	0.9
83.04973	4.1
83.08609	58.9
85.10178	3.7
91.05465	19.3
93.07036	11.8
95.04960	25.3
95.08592	7.4
96.42881	1.0
97.02888	2.5
97.06527	2.4
97.10157	31.0
97.11132	1.2
105.07021	14.4
107.04973	4.9
107.08592	6.7
109.06534	2.7
109.10160	2.2
111.04432	1.6
111.08069	10.2
111.11703	8.9
115.05439	1.8
117.07036	2.7
119.04965	1.2
119.08561	14.0
121.06490	3.8
121.10123	7.6
123.08076	1.5
123.11714	2.3
125.13261	3.7
129.06975	10.4
131.08542	8.9
133.06485	2.7
133.10086	5.3
135.11734	1.4
137.09651	2.3
142.07797	2.7
145.10120	1.4
147.08063	3.4
147.11662	6.7
149.09612	4.7
149.13123	1.3
149.30206	0.9
157.10133	8.9
159.11682	1.0
162.05455	0.9
165.12749	1.8
175.11157	10.3
193.12221	38.3
204.78772	1.0
231.13841	1.0
237.22160	2.2
249.14847	6.4
256.98825	0.9
259.14169	1.4
275.69983	0.9
503.24622	5.5
503.37405	94.8
504.37759	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.9
53.03930	7.3
55.01854	10.0
55.05506	28.1
57.03413	11.1
65.03613	2.5
65.03925	4.4
67.05133	4.9
67.05495	98.0
69.03401	7.9
69.07058	30.6
71.04976	8.0
71.75008	2.8
79.05484	91.5
81.03403	13.4
81.06547	2.5
81.07047	87.7
83.04974	15.6
83.08611	15.9
85.06514	12.0
91.05460	78.0
93.07031	89.8
95.04939	16.5
95.08591	33.4
97.06515	6.4
99.04414	3.9
99.08058	4.1
105.07018	69.7
107.04927	3.7
107.08580	64.5
107.67500	2.3
109.06501	11.3
109.10146	86.4
111.08016	3.7
113.05948	3.1
117.06270	2.7
117.06953	13.0
119.08543	20.8
121.10131	50.2
123.08025	4.3
123.11702	16.6
125.09615	3.5
127.07521	6.0
129.06995	3.9
131.08540	23.3
133.09163	5.3
133.10115	100.0
133.11136	4.9
135.07994	4.4
135.11671	22.1
135.26950	2.4
143.08571	4.3
145.10085	10.6
147.11647	9.5
149.13223	4.9
151.11165	56.0
159.11678	10.7
161.13272	3.3
167.05466	4.9
169.12196	11.8
171.11621	3.2
173.13258	6.0
175.14830	3.0
185.13205	5.6
193.12192	5.3
215.17941	15.8
227.19981	4.9
233.18970	19.3
251.15471	2.6
253.14305	76.0
270.67349	3.0
271.15402	8.3
283.03439	2.8
299.06058	4.3
393.27548	4.2
411.28674	7.5
485.32343	9.6
503.33203	60.8
525.41223	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.8
56.05035	3.7
60.04312	0.5
69.07059	7.5
70.63229	1.8
71.33018	0.4
72.08147	23.5
74.65049	0.4
81.03412	0.5
84.04498	39.3
85.02904	2.4
86.09698	100.0
87.10041	0.8
102.05533	28.5
122.06023	2.4
129.06592	5.3
130.05013	1.4
132.10191	24.8
135.32109	0.5
137.05998	0.9
150.05515	1.0
151.07520	0.5
167.05623	0.7
167.08144	9.6
168.06558	4.3
186.07591	1.0
195.07655	7.4
196.06041	1.0
197.12828	1.2
204.78239	0.5
213.08710	6.3
215.13942	1.3
231.09744	17.5
241.08199	9.2
243.13454	0.6
245.18584	18.5
259.09250	35.2
313.84808	0.6
326.17038	3.9
344.18399	1.0
346.29654	0.6
354.16382	3.7
372.17642	4.2
503.20535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01860	3.8
55.05505	29.0
57.03419	2.6
57.07059	3.1
59.04980	1.8
61.02898	1.9
61.94550	1.3
67.05499	6.4
69.03426	9.1
69.07044	4.6
70.06609	1.9
70.10141	5.4
71.04979	9.4
73.02901	2.1
79.05474	5.9
81.03391	7.7
81.07047	11.8
83.04968	60.6
83.08605	2.4
85.02892	14.1
85.06527	1.7
86.09700	2.9
87.00823	4.5
87.05598	1.5
91.05450	4.0
93.07025	19.1
95.04955	3.2
95.08607	9.0
97.02870	5.0
97.06509	6.4
99.04432	2.9
99.08059	4.1
99.14233	1.2
100.40947	1.3
103.05397	1.2
105.01855	3.1
105.07011	12.0
107.08576	9.9
109.02865	5.7
109.06513	4.2
109.10146	20.5
111.08067	5.7
116.00269	1.7
117.07010	1.7
119.08575	9.9
121.10126	70.4
123.08037	6.8
123.11707	6.2
127.03910	8.2
127.11170	4.4
129.06921	1.6
131.08554	3.5
133.10088	11.3
135.08051	1.8
135.11676	4.8
137.05965	4.6
137.09601	4.9
139.11226	7.4
145.04922	2.5
145.10092	9.9
147.11647	8.4
149.09525	2.1
149.13254	9.9
151.11163	15.7
159.02892	1.4
159.11702	16.1
161.13235	4.3
163.11147	5.1
165.12737	3.8
167.05588	1.7
173.13245	3.7
175.14787	2.2
177.12735	4.4
177.16362	2.0
181.06485	1.5
191.17894	2.0
201.05380	2.6
201.16374	14.1
219.17424	38.9
220.76170	1.5
227.01642	1.7
237.18456	100.0
238.18871	2.0
255.09999	1.3
255.13777	1.7
255.19473	2.8
299.06219	2.4
311.12720	26.8
404.92255	1.6
503.19330	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.0
60.04503	2.0
61.02905	4.5
69.03413	10.6
70.01176	4.7
70.01591	1.9
70.06570	4.8
71.04977	1.9
72.08134	3.4
73.04744	1.1
79.05455	1.6
81.03399	5.8
84.04483	3.7
84.08122	3.5
85.02889	27.8
86.09692	18.1
91.03937	1.5
91.05448	3.8
94.04178	1.7
97.02888	11.1
98.21417	2.3
99.04430	2.1
101.07117	1.4
102.05536	3.8
109.02871	3.8
109.06532	2.2
114.24954	1.3
115.05518	1.2
119.04946	1.5
122.03603	6.6
127.03898	6.1
129.06982	4.7
131.04942	1.4
137.05951	100.0
138.06288	1.9
145.04959	3.1
145.06522	1.9
149.05969	2.1
151.07529	9.0
157.06442	2.0
158.07225	2.0
161.05965	1.8
163.07465	2.8
167.05510	3.5
169.06400	2.1
174.06769	6.1
175.07523	6.2
186.06795	1.9
187.07516	27.5
189.09062	8.0
197.12817	1.4
199.07513	3.6
201.09084	16.7
202.07820	1.7
203.08495	3.5
217.08572	15.1
219.08032	4.0
225.08958	1.6
231.08023	4.0
233.09576	2.3
237.09212	1.3
243.13446	4.9
247.07588	4.1
248.08070	3.0
251.10709	2.5
261.08908	2.8
261.14432	1.6
263.10657	4.4
264.07773	1.6
265.08554	3.1
271.09708	2.7
277.08536	4.1
279.10104	4.8
291.10089	9.8
293.08096	1.9
293.11603	1.9
296.10425	5.6
297.11227	1.4
299.06174	3.8
309.11130	1.6
311.12750	14.7
323.12689	20.6
325.14368	8.2
339.61243	1.3
341.13879	13.6
351.29868	1.6
503.20605	1.7
518.74353	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
54.80356	1.0
55.01863	3.4
56.05018	1.2
57.03425	4.1
61.02921	3.9
69.03424	18.7
70.05902	6.6
70.06586	2.7
71.04985	5.4
72.08143	4.9
73.02907	1.7
73.04733	1.7
74.06070	2.2
81.03408	23.7
84.04498	1.8
85.02895	21.0
86.09685	5.0
87.04453	1.8
91.05786	3.8
96.58852	1.0
97.02881	8.5
99.04481	5.2
99.12849	1.2
101.07102	1.2
106.01113	1.1
109.02871	2.1
117.05452	1.5
126.07680	1.0
127.03873	2.4
129.10271	2.2
133.07614	3.0
137.05922	2.3
145.04982	2.1
153.06735	1.2
156.03600	1.5
161.07080	10.9
161.25374	1.1
163.08659	4.9
167.05536	4.4
175.87894	1.1
179.08144	2.3
187.14438	2.0
189.06590	3.9
191.08084	5.2
207.07626	100.0
208.07954	1.8
238.07793	3.9
240.13416	2.1
249.08881	1.6
257.06970	1.8
258.14401	2.7
299.06122	3.4
305.11465	2.8
319.10425	10.6
319.60538	1.5
323.12341	36.4
341.13409	95.6
342.13718	1.8
372.20831	1.2
378.75400	1.2
432.64481	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47057	7.6
53.13334	8.2
55.05505	8.9
55.07798	8.6
57.03431	7.0
59.97938	7.9
69.03432	9.5
69.07048	11.0
70.06589	13.1
71.74912	9.6
79.05463	17.0
80.66322	7.0
81.03407	32.3
81.07031	16.8
84.04501	36.1
85.02884	27.9
87.00800	8.9
93.07061	9.2
97.02887	100.0
107.08582	10.4
109.02850	46.0
119.08570	11.0
126.05495	19.6
127.03879	50.5
163.03922	8.9
165.09105	10.9
167.07034	18.5
168.06448	11.4
170.05727	14.7
183.06573	12.3
211.09666	30.4
254.13846	19.6
254.17711	10.5
264.99924	7.5
311.12662	14.5
397.80252	9.9
502.11957	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47057	7.6
53.13334	8.2
55.05505	8.9
55.07798	8.6
57.03431	7.0
59.97938	7.9
69.03432	9.5
69.07048	11.0
70.06589	13.1
71.74912	9.6
79.05463	17.0
80.66322	7.0
81.03407	32.3
81.07031	16.8
84.04501	36.1
85.02884	27.9
87.00800	8.9
93.07061	9.2
97.02887	100.0
107.08582	10.4
109.02850	46.0
119.08570	11.0
126.05495	19.6
127.03879	50.5
163.03922	8.9
165.09105	10.9
167.07034	18.5
168.06448	11.4
170.05727	14.7
183.06573	12.3
211.09666	30.4
254.13846	19.6
254.17711	10.5
264.99924	7.5
311.12662	14.5
397.80252	9.9
502.11957	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35369	1.3
53.03935	7.8
55.01857	4.4
55.05503	26.2
57.03422	4.7
57.07057	3.3
61.02903	1.8
65.03922	3.7
67.05497	72.9
69.03407	2.4
69.07059	21.7
71.04970	4.4
77.03939	1.7
79.05483	84.9
81.03413	4.4
81.07047	81.7
81.07534	3.2
83.04974	7.6
83.08606	11.3
85.02888	1.7
85.06516	3.4
91.05466	44.2
93.07032	89.1
95.04943	11.0
95.08599	36.1
97.02890	1.8
97.06512	8.8
97.10154	4.9
99.08085	3.9
103.05443	1.5
105.04520	1.9
105.07015	24.2
107.04953	2.0
107.08579	33.4
109.06490	2.4
109.10139	9.0
111.08069	5.0
113.09669	1.3
115.05503	1.2
117.06995	14.4
119.08566	16.0
121.06506	1.4
121.10128	48.7
122.10480	1.9
123.08136	1.5
123.11726	1.8
125.09576	2.2
125.37199	1.3
129.06995	5.0
131.08559	19.4
133.10123	15.4
135.08066	2.6
135.11659	14.3
136.69974	1.2
137.09619	1.5
139.11157	2.3
141.07018	1.8
143.08549	5.7
144.09325	1.5
145.10092	11.2
147.11674	4.0
149.13232	22.8
150.13646	1.5
151.11212	2.2
155.08563	3.3
157.10115	5.7
158.53983	1.4
159.11658	17.1
169.10112	2.1
171.11688	3.9
173.13263	6.5
177.12750	3.8
183.11668	2.7
185.13290	3.7
187.14812	2.6
195.11761	1.7
195.13840	8.4
199.14853	2.7
211.14926	1.4
215.17970	2.0
301.21500	1.5
306.68738	1.3
339.29041	3.4
391.29837	3.2
403.28229	1.3
409.30905	9.2
427.32217	2.5
465.94479	1.4
483.34476	3.2
501.35712	100.0
502.36151	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.2
55.01869	3.9
55.05503	27.1
57.03419	4.8
57.07054	2.9
65.03919	4.9
67.05493	73.8
69.03407	2.4
69.07060	31.3
71.04974	3.7
79.05480	79.6
81.03391	4.2
81.07043	78.3
83.04980	4.8
83.08611	16.2
85.06544	3.8
88.23438	2.2
91.05465	47.7
93.07030	82.6
95.04962	12.1
95.08592	31.2
97.06520	9.5
97.10159	2.6
98.21529	4.8
99.08047	2.3
105.04502	2.8
105.07008	33.5
106.74564	2.1
107.04948	4.5
107.08575	33.8
109.06501	6.9
109.10153	11.8
111.08115	3.7
117.07005	15.4
119.08582	16.7
121.10137	36.5
123.11687	6.1
125.09570	2.4
129.06996	6.6
131.08548	22.5
133.10114	23.4
135.08064	4.5
135.11652	16.0
135.98425	2.1
141.06918	3.7
143.08556	8.0
145.10101	13.0
147.11685	7.4
149.09634	5.5
149.13223	19.5
151.11156	6.2
155.08553	3.3
157.10168	6.5
159.11665	18.5
161.13182	2.4
169.10167	3.4
171.11687	5.1
171.67023	2.5
173.13251	6.3
181.10098	2.8
183.11714	5.1
185.13287	5.4
187.14847	4.2
195.13832	6.3
195.44228	2.9
197.13388	4.3
201.16368	3.4
209.13278	4.3
213.16396	3.1
215.18050	2.0
228.23283	4.0
231.17386	2.9
255.16089	2.2
256.26376	2.2
265.99316	2.2
291.11005	2.3
318.81387	2.3
391.29828	5.8
409.30954	9.7
427.32080	4.2
447.58997	2.4
483.34549	3.8
501.35727	100.0
502.36050	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.5
55.01855	2.0
55.05504	20.8
57.03417	3.7
57.07059	3.5
65.03922	3.6
67.05496	70.6
69.07062	18.9
70.81084	1.7
70.81429	2.7
71.04974	3.6
77.03901	1.5
79.05483	82.6
81.03397	4.0
81.07047	76.4
83.04967	4.1
83.08614	15.9
85.06516	4.8
91.05473	40.5
93.07034	84.5
93.13374	1.2
95.04967	12.2
95.08597	28.6
97.06530	7.7
97.10152	4.3
99.08079	6.0
105.04491	2.5
105.07017	24.7
107.04951	2.3
107.08583	30.1
109.06503	4.4
109.10144	10.8
111.08073	5.9
115.05383	1.9
117.07001	13.4
119.08557	14.2
121.06467	1.5
121.10126	48.8
123.08028	2.1
123.11673	3.5
125.09621	3.9
129.06970	5.0
131.08531	18.5
133.10121	16.7
135.08078	2.4
135.11676	17.1
143.08548	4.8
145.10080	10.1
147.11644	7.4
149.09604	1.4
149.13239	16.8
151.11124	1.7
155.08452	1.7
157.10127	5.0
159.11681	15.0
161.13266	2.7
169.10141	3.1
171.11673	5.1
173.13260	5.6
175.14821	1.7
177.12740	4.5
183.11726	2.4
185.13252	3.4
187.14778	1.9
195.11934	2.1
195.13806	10.3
197.13277	2.3
199.14796	2.4
215.17931	3.5
289.06036	1.7
391.29657	1.7
403.28021	1.6
409.31085	8.8
427.32031	1.8
483.34589	4.0
501.35724	100.0
502.36050	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.05504	25.2
57.03431	4.0
57.07063	3.9
61.06564	1.7
64.08329	1.7
65.03922	4.2
66.14925	1.5
67.05502	71.3
69.07059	22.1
70.97690	4.8
71.04987	6.5
79.05487	81.3
81.03416	3.8
81.07050	78.9
83.04970	5.7
83.08605	17.0
85.06543	4.2
91.05473	44.1
93.07037	93.8
95.04954	12.9
95.08595	33.0
97.06530	7.6
97.10177	2.7
99.08074	4.0
105.07021	24.3
105.52080	2.0
107.08580	27.1
109.06525	3.8
109.10152	7.2
111.08072	6.6
116.06259	2.0
116.18852	2.0
117.06999	11.9
119.08580	16.2
119.49095	2.0
121.10137	42.8
123.08074	3.5
123.11681	4.0
125.09661	3.2
129.06982	3.8
131.08551	19.0
133.10120	18.1
135.11659	13.0
143.08591	4.1
145.10092	9.0
147.11671	7.9
149.13235	23.9
155.08516	3.5
157.10123	8.2
159.11693	17.9
171.11703	4.4
173.13258	6.0
177.12738	7.3
181.10146	2.2
183.11682	3.2
185.13281	4.4
187.14807	2.9
195.12180	2.2
195.13797	11.1
205.19730	1.9
213.14816	2.2
215.18019	1.9
216.53233	2.3
269.17548	1.9
381.54529	1.9
409.31052	7.0
440.70483	2.0
462.96234	1.8
483.34753	3.3
484.59366	2.0
501.35779	100.0
502.35928	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43879	0.8
55.05508	8.1
56.05032	1.0
56.96552	1.3
57.03437	0.9
57.05804	1.5
69.03421	1.2
69.07064	0.8
70.06583	2.9
71.73679	1.2
71.74084	1.0
72.08147	100.0
73.02900	0.8
73.09197	0.7
79.08997	0.6
81.03400	0.9
83.69766	0.8
84.04490	0.9
84.08142	2.1
85.02869	2.0
86.09684	3.8
91.05461	5.2
96.55287	0.8
97.02876	2.0
98.39612	0.8
98.97576	2.9
99.05563	5.2
107.04902	1.0
109.02831	0.9
116.98608	1.9
119.04932	5.7
119.61244	0.7
120.24629	0.7
123.04502	1.1
129.10263	1.1
133.04887	1.2
136.07564	70.9
137.07884	1.5
143.11766	0.8
143.48347	0.8
145.04889	1.0
146.06058	0.9
147.04448	1.0
165.05498	2.8
169.94368	0.8
177.00777	0.7
182.08107	7.1
193.09715	39.4
194.10139	1.0
207.03297	1.1
219.01820	1.7
221.09201	36.5
222.09602	0.9
232.85719	0.8
237.02757	3.0
275.13916	4.5
281.14990	13.8
320.16043	5.2
327.07437	2.6
441.10562	7.3
483.22296	1.0
528.76654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85937	5.1
61.02922	44.9
67.05495	11.9
69.03427	12.0
69.96352	17.5
69.96768	9.9
70.33511	6.4
73.02901	16.1
77.56878	4.8
79.05457	9.2
79.33257	4.7
81.03394	6.6
81.07030	12.0
85.02896	100.0
91.03942	47.0
95.01314	21.7
95.08581	6.2
95.32394	4.9
97.02875	42.1
105.07069	6.7
109.02881	7.1
111.85390	5.2
119.08533	6.1
124.68298	4.8
127.03921	46.2
136.04483	5.8
141.01807	73.4
145.04935	57.9
159.02875	12.2
163.05957	63.2
209.81480	5.1
276.56628	5.6
330.10342	5.7
358.81104	5.3
431.03796	5.8
461.11832	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64783	0.2
53.03959	0.2
55.01867	0.2
55.05498	0.3
55.69625	0.2
58.59235	0.2
60.12776	0.1
67.04248	0.3
67.05499	0.8
69.03406	0.3
69.62117	0.6
69.62551	0.7
70.06589	0.5
71.04964	0.2
72.08149	0.7
75.29298	0.2
79.05482	0.2
80.04992	0.2
81.03410	0.5
81.07058	0.5
82.06572	1.0
85.02881	0.2
86.09704	0.5
91.05460	0.2
93.07024	0.3
95.04967	0.3
95.08582	0.3
97.02877	0.2
97.06550	0.2
98.20683	0.2
109.02862	0.3
109.06532	0.2
109.10153	0.8
110.06029	9.6
121.06400	0.2
127.03879	0.3
137.09598	1.4
138.05486	100.0
139.05785	0.8
145.12199	0.2
156.06538	39.1
157.06779	0.3
159.09158	0.2
165.09088	0.7
179.08139	1.1
182.83775	0.2
200.75548	0.2
215.07013	0.2
327.14230	0.3
340.97540	0.2
482.19876	0.5
500.21423	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59630	1.1
53.03929	2.1
55.05497	3.0
57.03417	3.2
61.02901	1.8
67.05488	7.3
69.03412	10.4
69.07057	8.3
69.69983	2.5
69.70394	7.4
71.05009	1.3
73.02903	1.4
79.05480	9.7
79.95004	1.3
81.03414	11.9
81.07043	100.0
82.07374	1.6
85.02890	33.5
87.00824	12.7
93.07029	2.3
95.04951	2.0
95.08593	23.3
97.02874	24.6
97.06514	2.1
97.19199	1.2
98.21467	2.2
99.04435	3.6
103.03996	1.3
105.01851	37.3
105.06989	1.5
107.08551	2.4
108.04450	3.2
109.02859	15.9
109.10132	2.2
115.54822	1.1
123.04494	1.2
125.25500	1.2
126.05526	2.5
127.03883	40.4
137.13229	20.0
138.05373	1.5
145.04939	16.7
150.52243	1.1
159.02846	2.6
168.48140	1.2
173.09027	1.2
198.58797	1.0
213.03896	2.0
230.06454	1.5
231.04979	20.1
248.07657	5.0
249.06001	17.8
266.08673	21.5
282.54764	1.2
284.09708	29.0
308.75116	1.3
330.18417	1.4
365.28659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18550	1.0
52.72073	1.1
53.03933	2.9
55.01862	3.5
55.05505	21.6
57.03438	1.6
67.05482	3.9
69.03436	6.6
69.07062	14.3
70.06561	1.3
70.10193	5.7
71.04994	2.1
72.65246	1.1
79.05467	2.7
81.03410	14.4
81.07073	1.5
83.08610	71.3
84.08121	1.4
85.02894	4.6
86.09679	1.3
87.08084	1.7
90.75986	1.1
91.05457	2.4
93.07034	3.5
95.04938	1.9
95.08593	2.6
97.02888	12.4
97.06506	3.9
98.20781	2.1
99.04456	2.2
109.02864	22.3
109.10143	1.1
111.08065	28.2
119.04925	6.1
119.08561	1.0
121.06492	2.0
127.03904	15.2
129.09113	5.1
135.04433	1.3
137.09618	2.2
138.05513	5.8
139.07550	5.5
145.04984	2.0
147.04387	22.8
156.06519	2.1
157.08589	12.8
175.09647	100.0
187.47978	1.1
215.06990	1.5
237.11185	1.8
252.12201	1.2
259.09735	3.1
265.10641	10.6
283.11737	37.5
301.12805	13.6
319.13718	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.7
63.43837	3.9
69.03425	16.9
69.07053	3.9
71.19468	7.2
79.05509	10.6
81.03417	16.5
81.07045	100.0
85.02898	39.0
87.00825	12.9
91.05416	7.9
95.08620	7.8
97.02883	25.2
99.04439	4.4
102.32941	4.1
105.01846	44.3
109.02875	15.7
127.03910	48.3
137.13229	17.3
145.04939	15.6
159.02873	5.0
192.05257	3.5
195.42125	3.8
230.06372	4.2
231.04915	20.6
248.07655	8.0
249.06071	27.1
266.08691	36.3
284.09720	54.3
425.53506	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
54.69867	0.8
55.01847	2.6
55.05500	16.1
57.03428	3.9
57.07059	1.4
65.03923	2.0
67.05130	1.7
67.05494	31.9
69.03419	1.3
69.07058	11.1
71.04967	2.8
71.75323	1.4
79.05481	33.3
81.03406	17.3
81.07042	28.5
82.50698	0.7
83.04961	4.0
83.08604	11.4
91.05465	28.4
91.06035	1.8
93.07027	28.0
95.04958	9.8
95.05518	1.2
95.08591	15.1
95.61164	0.8
97.06520	3.5
97.10153	6.7
99.08061	1.7
103.05463	1.0
105.07014	23.4
107.04945	3.7
107.08575	11.6
109.06519	2.5
109.10140	7.8
111.08041	1.9
115.05473	1.8
117.06992	13.2
119.08567	17.5
121.06475	1.2
121.10130	11.4
123.08058	1.7
123.11671	1.8
125.09589	5.1
128.06213	2.4
129.06978	13.4
129.52156	0.9
131.08537	17.5
132.98106	0.8
133.06499	1.1
133.10100	14.2
133.11011	1.2
135.08076	2.6
135.11682	5.4
137.09557	1.6
139.11108	1.0
141.06949	5.9
142.07784	4.0
143.08539	14.5
144.09319	0.9
145.10109	13.6
147.08023	2.4
147.11644	6.7
149.09509	1.6
149.13219	2.5
153.06963	1.6
155.08514	8.4
156.09328	1.6
157.10081	14.5
159.11670	10.5
161.09525	1.8
161.13246	2.2
163.11153	1.4
165.07048	1.1
167.08557	3.5
168.09270	0.9
169.10106	11.4
170.10869	1.2
171.11639	10.6
173.09586	1.2
173.11783	1.2
173.13229	6.2
175.11154	3.8
175.14893	0.8
179.08540	0.9
180.09373	1.1
181.10100	7.4
182.10802	1.3
183.11656	9.7
185.13248	7.0
187.11217	1.5
187.14781	2.2
189.11189	2.6
189.12764	1.0
189.16341	0.9
193.10353	1.3
193.12242	7.1
195.11646	5.5
197.13226	7.9
199.11237	0.9
199.14841	3.3
201.16307	1.1
201.65656	0.7
207.11679	2.4
209.13240	3.9
211.14766	4.7
213.16389	2.9
215.17952	3.8
221.13245	3.0
223.14743	4.1
225.12595	0.8
225.16440	2.4
229.15892	1.4
233.13289	1.2
233.19043	1.9
235.14810	2.6
237.16383	2.4
239.18051	1.8
241.15854	1.0
247.14742	1.1
251.18005	1.6
253.19543	1.5
255.21011	2.0
263.17673	0.9
265.19510	1.7
267.15747	1.8
269.17642	0.7
269.18817	0.6
273.22134	1.1
279.21008	0.8
281.19058	1.6
283.20593	0.9
287.19897	1.7
291.14246	0.8
295.20572	2.1
297.21893	0.8
309.22061	2.5
311.23410	0.8
313.21506	1.4
323.23715	1.2
325.21631	1.5
327.23117	1.4
379.29996	1.5
387.25311	0.9
389.28189	7.1
401.26913	0.8
407.29373	20.8
425.30444	8.4
443.31641	3.6
445.31326	0.9
463.31689	1.6
464.33600	0.8
481.33209	6.8
499.34128	100.0
500.34439	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.8
53.03938	8.9
55.01854	4.5
55.05505	23.0
57.03436	2.6
65.03940	5.1
66.10851	1.0
67.05498	58.8
69.03423	3.0
69.07056	14.8
69.65785	6.9
71.04973	4.7
75.76003	0.9
77.03916	1.6
79.05482	100.0
80.62935	1.0
81.03408	13.8
81.07048	49.0
83.04968	20.0
83.08624	8.7
85.06505	2.3
91.05468	83.5
93.07032	82.7
95.04952	21.3
95.08591	24.3
97.02893	1.4
97.06526	4.4
97.10187	1.2
99.08080	4.1
103.05482	2.0
105.04489	2.0
105.07020	45.3
107.04942	13.6
107.08587	15.9
109.06509	5.9
109.10139	7.6
111.08078	3.4
115.05463	3.4
115.51980	1.1
117.06990	9.0
119.08577	26.0
121.06513	1.7
121.10133	41.0
122.10507	1.4
123.08035	3.1
123.11694	1.8
125.09637	1.6
127.07494	1.8
128.06158	1.7
129.06981	15.5
129.39346	1.0
130.07849	1.1
131.08553	20.8
131.09451	1.8
133.10110	35.7
133.77493	1.2
135.07976	1.3
135.11674	7.6
135.21922	1.1
141.06970	1.9
142.07751	2.6
143.08554	5.6
145.10097	8.8
147.08038	3.6
147.11661	16.8
149.09610	3.4
149.13261	2.0
151.11177	1.6
155.08539	3.1
157.10101	16.7
159.11697	6.4
161.13278	2.1
163.11198	2.2
165.12703	1.1
167.08464	1.5
169.10117	3.1
171.11667	4.7
173.13261	4.3
175.11177	9.9
179.64436	1.1
183.11711	3.7
185.13274	2.1
188.37849	1.2
193.12199	19.6
197.13278	3.2
199.14836	1.6
211.13167	2.5
215.17966	4.6
233.19016	2.2
235.14708	1.5
267.15991	4.7
307.22763	4.8
325.21735	1.4
401.27289	1.2
407.29410	4.8
462.75613	1.1
481.33203	4.0
499.34143	82.7
500.34705	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.1
53.03926	3.7
55.01846	2.8
55.05505	20.6
57.03419	5.1
57.07056	1.8
58.06570	3.2
59.07382	1.4
60.08135	1.2
62.42268	0.9
63.81416	0.8
65.03920	2.4
67.05499	34.5
69.03397	1.8
69.07057	12.0
71.04979	1.3
71.70581	0.8
77.03928	1.1
77.88983	0.9
78.59648	1.0
79.05481	32.1
81.03408	21.4
81.07047	30.4
83.04953	3.9
83.08167	1.0
83.08609	12.8
85.06510	2.9
90.23262	1.0
91.05470	28.5
93.07033	28.2
93.07632	0.9
95.04949	9.9
95.08592	18.8
97.02852	1.4
97.06501	3.7
97.10140	7.9
99.08074	1.8
105.07014	24.6
107.04924	3.3
107.08584	14.1
109.06452	3.1
109.10157	9.2
111.08070	1.7
115.05468	2.9
117.07015	12.8
119.08570	17.8
121.06459	1.9
121.10122	13.5
123.08031	2.9
123.11682	2.1
125.09595	7.0
128.06213	3.6
129.06989	15.4
131.08542	18.8
133.10106	15.0
135.08011	2.4
135.11632	4.7
137.09561	2.2
139.11162	1.5
141.06953	5.0
142.07750	2.8
143.08545	14.0
144.09299	1.7
145.06381	1.2
145.10109	14.5
147.08040	2.2
147.11656	9.1
149.09593	3.9
149.13261	3.1
149.83853	1.1
153.06830	1.6
155.08543	8.6
157.10115	14.7
159.11688	11.6
161.13214	3.7
165.06992	1.1
167.08522	5.3
168.09367	1.7
169.10124	11.8
171.11661	10.5
173.09563	1.4
173.11865	1.4
173.13232	7.2
173.14514	1.1
175.11139	2.9
175.14719	1.4
179.08565	2.6
181.08707	1.1
181.10077	5.5
182.10837	1.1
183.11693	9.4
185.13245	9.2
187.11154	1.6
187.14810	2.9
189.11145	5.1
193.10309	2.0
193.12196	9.2
195.11646	6.1
197.13190	8.2
199.11250	1.7
199.14796	4.2
201.16316	1.8
207.11583	3.2
209.13254	6.0
211.14745	5.3
213.16307	2.8
215.17859	3.8
221.13156	1.8
223.14803	4.5
225.16309	2.1
227.14282	1.2
229.55617	1.1
233.18898	1.8
235.14761	3.4
236.14955	7.3
236.65263	1.0
237.15279	3.2
239.17879	2.1
241.15987	1.1
243.17513	1.2
249.16481	1.2
251.17975	2.0
255.20966	1.3
263.17905	1.3
265.19485	1.2
267.15839	1.8
271.20413	1.7
273.22107	1.8
273.30679	1.1
281.18683	1.9
295.20370	1.1
309.22272	1.5
313.21591	1.6
325.21460	1.4
327.23114	2.4
333.22614	1.2
340.03479	1.0
365.24582	1.2
389.28384	6.8
401.26611	1.9
407.29385	18.4
425.30624	8.6
443.31418	4.2
463.31665	1.4
481.32590	6.4
499.33954	100.0
500.34195	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97882	1.4
53.03938	6.1
55.01855	7.4
55.05505	31.3
57.03151	2.1
57.03427	28.2
57.07060	6.9
59.04989	1.7
60.68562	1.4
61.02920	54.0
65.03927	3.3
67.05499	83.9
69.03416	30.1
69.07056	38.2
71.01334	5.7
71.04974	5.1
71.08607	4.5
73.02905	25.6
75.04461	2.7
76.41647	1.4
79.05485	37.1
81.03410	28.9
81.07046	100.0
83.01333	1.6
83.04963	5.1
83.08608	23.8
85.02894	55.3
85.06525	3.1
85.10177	2.2
87.04459	4.1
91.03944	30.8
91.05462	25.7
93.07031	37.4
95.04968	9.1
95.08591	68.9
97.02882	46.2
97.06505	5.0
97.10153	16.1
99.04446	10.2
99.08098	4.0
101.02372	13.4
103.03927	8.1
105.07011	23.5
107.04951	3.8
107.08576	19.0
109.02869	8.7
109.06470	3.9
109.10138	33.1
111.04455	2.4
111.08074	5.1
111.11709	2.8
111.57380	1.6
113.09682	3.2
115.03915	6.0
117.05504	3.1
117.06984	8.9
119.08560	18.3
121.06477	1.8
121.10133	22.1
123.08029	2.8
123.11697	15.8
125.09625	5.0
127.03902	21.2
129.05461	6.4
129.06984	5.1
131.08548	11.2
133.10130	16.5
135.11664	10.5
136.06165	2.6
137.09616	1.9
137.13249	8.4
139.11159	3.9
143.08559	8.0
145.04927	9.5
145.06450	1.9
145.10121	7.6
147.08028	1.8
147.11662	12.2
149.09596	2.9
149.13242	8.0
151.11168	1.9
151.14803	4.2
155.08499	3.6
157.10139	6.3
159.06537	2.7
159.11658	5.5
161.09596	2.1
161.13249	10.1
163.14775	7.9
165.12714	3.3
165.16347	2.1
169.10124	4.1
171.06450	2.4
171.11664	3.6
171.14595	1.7
173.13271	4.7
175.14813	6.4
177.12605	1.9
177.16371	4.2
179.14493	2.0
183.06544	3.7
183.11642	4.6
185.13280	3.9
187.14822	2.9
189.16449	2.0
193.12227	2.5
193.15884	2.8
197.13252	4.8
198.29063	1.7
199.14880	2.6
201.07518	4.0
203.14430	1.5
208.15620	1.6
245.22556	11.4
261.22162	2.9
263.23685	21.7
303.23221	3.1
305.24692	2.0
329.24530	1.7
337.27335	81.6
353.24683	2.1
365.26831	2.4
371.25729	4.0
389.27350	3.8
407.29092	5.2
445.29630	4.2
481.31934	5.7
499.33551	39.5
500.33899	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71771	2.0
53.03926	6.1
55.01853	9.7
55.05503	37.2
57.03427	27.1
57.07054	11.5
59.04960	2.6
60.08151	5.8
61.02917	70.8
65.03930	2.9
67.05129	4.8
67.05493	96.6
69.03423	35.9
69.07062	37.9
69.88799	5.3
69.89218	8.0
71.01336	5.0
71.04975	5.5
71.08611	6.5
73.02905	32.9
75.04434	2.7
79.05480	40.7
81.03407	28.1
81.07042	100.0
83.04958	6.5
83.08611	24.9
85.02892	74.0
85.06542	3.6
85.10145	2.6
86.09685	8.7
87.04448	3.9
87.10021	2.9
91.03944	44.0
91.05460	32.2
93.07031	46.6
95.04949	6.3
95.08594	81.7
97.02875	59.3
97.06502	5.3
97.10157	14.1
98.21390	4.3
99.04452	13.4
99.08069	4.7
101.02361	15.7
103.03926	8.7
104.10748	15.7
105.07016	25.8
105.11062	7.7
106.11274	2.0
107.04959	2.6
107.08584	21.3
109.02867	14.7
109.06509	3.6
109.10149	31.8
110.66846	2.0
111.04399	3.7
111.08084	3.6
111.11699	3.9
113.09675	2.7
115.03906	3.8
115.04712	2.0
115.05505	2.6
117.05427	2.7
117.06989	8.4
119.08573	21.1
121.10133	19.3
122.58902	2.2
123.08044	4.5
123.11696	14.8
124.99999	4.4
125.09615	3.3
127.00420	2.1
127.03880	22.3
128.06168	2.8
129.05450	7.5
129.06967	10.0
131.08542	11.6
133.10101	20.0
135.08049	3.4
135.11682	13.2
137.05927	2.7
137.09615	4.1
137.13232	9.5
141.07007	3.1
143.08580	10.6
145.04921	11.5
145.10112	7.9
147.11697	14.0
149.13191	12.2
151.11172	3.0
151.14764	4.3
153.12662	3.3
155.08568	4.3
157.10098	6.4
159.06549	3.2
159.11691	5.3
161.13243	6.8
163.14783	7.3
165.12813	3.0
165.16486	2.2
169.10089	5.9
171.11668	7.6
173.09637	2.1
173.13219	5.7
175.14815	5.8
177.16367	2.3
179.18027	2.4
181.10123	2.5
183.06557	4.1
183.11652	4.0
184.07391	12.2
185.07687	6.5
185.13152	6.8
186.07748	8.6
187.08023	2.9
187.14816	3.6
189.16386	2.7
195.11641	4.4
197.13266	4.2
201.07491	3.9
209.13361	2.9
211.14780	3.3
233.08507	2.6
245.22607	12.0
263.23642	24.5
275.23630	3.1
315.68262	2.4
335.25729	3.0
337.27316	95.5
338.27646	4.2
365.27106	2.6
371.25769	3.5
389.28104	4.3
407.29282	10.3
425.30353	6.0
481.32645	5.2
499.33936	55.9
500.34027	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01867	4.3
55.05510	13.1
57.03423	9.2
61.02928	15.3
65.03941	3.3
67.05500	25.9
69.03426	9.4
69.07061	19.9
70.06586	2.8
71.04984	5.9
71.74577	3.0
73.02904	7.5
79.05486	29.4
80.53949	2.2
81.03401	11.3
81.07049	26.5
83.04965	6.1
83.08611	6.1
85.02913	14.8
91.03947	8.2
91.05474	45.6
91.06026	2.9
93.07042	28.3
95.04970	7.7
95.08604	15.2
97.02888	12.0
97.06521	20.4
99.04459	3.7
99.08059	6.0
105.07025	33.6
107.04957	9.0
107.08571	12.6
109.02869	4.1
109.06499	9.1
109.10143	4.2
111.08096	4.9
113.05995	3.6
115.05419	5.6
117.07020	16.6
119.04922	2.7
119.08564	33.0
121.06478	10.7
121.10136	9.8
123.08068	9.1
127.03907	3.8
128.06233	14.4
129.05415	3.4
129.06985	18.7
131.08548	43.0
133.06471	17.9
133.10136	14.1
135.08070	17.7
135.11668	5.1
137.09598	5.5
139.07550	4.0
141.07010	4.8
142.07787	6.1
143.08562	51.2
145.06511	4.0
145.10086	16.3
146.27560	2.4
146.72891	2.2
147.04410	4.3
147.08032	19.7
147.11702	4.1
149.09604	14.6
151.07556	3.5
155.08481	5.2
157.10101	17.0
159.08072	6.0
159.11703	2.6
161.09581	12.7
163.03859	5.2
163.11211	5.0
165.09135	3.3
167.08606	7.2
168.09314	3.3
169.10103	2.3
171.08049	7.7
171.11659	3.6
173.09601	5.5
175.11130	3.0
181.10054	6.2
183.11694	5.6
185.09586	7.9
185.13235	5.2
191.10583	3.6
199.14804	18.1
209.11621	3.1
209.13277	13.4
217.15883	6.8
227.14322	30.4
245.15381	27.3
259.09708	7.6
260.10117	6.0
262.94098	2.3
278.11130	3.7
284.49103	2.6
292.60422	2.2
293.15820	3.6
302.50867	2.6
319.15231	5.4
319.18997	100.0
320.19427	2.9
337.20038	4.0
365.00092	2.2
455.22336	5.7
483.69827	2.5
499.21158	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63416	0.9
65.97762	0.9
70.99857	1.1
71.73433	1.5
82.51791	1.0
82.99842	2.1
94.99867	1.5
97.02876	1.3
99.61114	1.0
101.00868	11.0
103.02439	4.3
105.00328	1.9
109.02876	1.4
112.89582	1.6
113.00897	4.2
119.01910	30.7
121.03502	2.9
124.06512	1.1
125.45744	0.9
127.02397	9.7
131.01891	18.5
133.03453	1.9
137.02946	2.6
139.02405	2.8
143.01884	22.4
145.03455	50.3
146.03532	1.2
147.01370	2.8
147.04994	1.5
149.02930	4.5
155.01875	24.9
157.03455	19.1
159.05051	1.6
161.02946	24.3
163.04489	7.3
167.01923	8.7
169.03474	4.8
171.01416	7.1
171.05034	3.6
173.02956	49.3
175.04510	5.5
179.01939	3.3
181.03481	1.9
183.01395	2.0
185.02946	50.0
185.72705	1.1
186.03081	1.1
187.04491	5.4
189.02432	9.4
189.06102	1.5
191.02022	1.3
191.04019	3.4
193.01839	1.7
196.04652	1.2
197.02936	18.1
199.00897	4.6
199.04491	2.8
201.02548	2.1
203.03995	12.5
208.04608	1.2
209.03055	3.6
211.01022	1.7
215.03958	8.7
217.01930	51.1
217.05403	2.8
218.02151	1.6
221.05153	4.9
227.03992	8.9
229.01961	10.5
229.05501	1.4
235.02980	21.1
239.03954	1.5
241.02031	1.2
245.05060	100.0
246.05344	2.4
247.02950	15.6
247.06709	1.5
250.96262	1.1
257.05029	14.2
258.04947	2.1
263.06122	11.3
265.04172	2.5
275.06104	14.3
277.04022	19.2
286.07657	1.4
293.07178	4.4
294.14417	1.1
301.04010	11.6
305.07135	9.7
317.06943	1.4
319.05115	25.6
319.08615	1.2
335.08243	4.3
337.06110	30.3
338.06378	1.0
365.09244	9.0
379.06992	2.2
499.11349	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21783	0.6
55.05492	2.2
55.61001	0.5
57.07069	35.6
59.04982	0.7
67.05490	0.6
69.07053	2.4
69.97713	2.4
71.08627	25.6
73.06551	7.8
76.34206	0.6
78.38043	0.6
79.05485	1.1
81.03410	0.6
81.07050	1.0
83.08611	3.5
85.10171	22.7
87.04449	4.0
89.06020	100.0
91.05455	1.0
91.07581	0.8
97.10150	3.7
97.34827	0.6
98.21532	0.6
98.74686	0.6
99.11713	4.5
105.07008	0.7
105.96304	0.6
107.07057	3.6
108.82458	0.6
111.11729	0.8
113.13250	1.4
117.09105	4.9
130.08644	4.1
131.07042	1.4
131.08560	0.6
133.08592	49.8
135.10138	1.5
138.19070	0.6
139.65074	0.6
151.09613	0.8
155.17917	5.1
156.44812	0.6
161.11723	1.2
175.09705	0.7
177.11212	16.9
199.20567	3.2
212.53885	0.7
221.13783	3.3
239.14877	3.0
240.23256	1.3
243.23216	8.2
283.17490	2.4
287.25793	4.5
327.20190	8.7
349.29877	0.9
393.32220	0.8
481.37393	9.7
499.33167	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	15.1
55.01871	8.2
55.05503	26.4
57.03429	39.6
57.07068	4.0
60.22848	2.8
61.02919	50.4
65.03905	3.2
67.05495	96.2
69.03420	50.2
69.07050	24.8
70.09341	13.5
71.01359	4.8
71.04982	10.7
73.02901	26.0
75.04446	4.8
76.93595	2.4
79.05482	60.4
81.03400	44.6
81.07043	100.0
83.04961	7.6
83.08597	12.1
85.02895	66.0
85.06515	3.7
87.04469	5.7
87.90029	2.1
89.01258	2.2
91.03942	33.3
91.05461	48.2
93.07030	73.0
95.04969	9.2
95.08595	80.5
97.02879	55.7
97.03461	4.1
97.06499	5.7
97.10165	6.5
98.21387	4.5
99.04448	17.9
99.08054	2.4
101.02368	8.3
103.03924	25.0
105.07013	31.1
107.04890	5.2
107.08578	40.0
109.02881	19.7
109.06515	8.1
109.10138	36.2
111.04459	4.4
111.08067	4.4
114.13655	2.3
115.03917	7.4
117.05488	2.6
117.06987	14.4
119.08569	22.1
121.10117	35.2
123.08075	3.6
123.11654	11.5
125.09612	5.0
127.03893	32.0
129.05515	4.9
129.06993	10.4
131.04843	2.8
131.08531	22.8
133.06464	3.0
133.10124	23.1
135.08055	3.6
135.11674	24.9
137.05991	3.0
137.09572	3.7
137.13268	4.8
139.11201	2.7
141.07010	3.6
143.08563	8.9
145.04953	10.8
145.10112	13.9
147.08156	3.0
147.11639	15.4
149.13287	14.5
155.07077	2.5
155.08563	3.2
157.10106	8.3
159.06520	3.9
159.07999	2.7
159.11713	14.5
161.13245	11.7
163.11171	3.1
163.14835	4.6
169.10107	3.5
171.11661	5.1
173.13278	11.5
175.11153	3.6
175.14781	4.7
178.61714	2.5
183.06538	9.6
183.11731	3.5
185.13229	3.5
187.14778	5.1
189.26959	2.3
201.07553	5.3
201.16469	3.1
213.13078	3.2
243.21031	8.1
247.63580	2.6
259.20572	2.4
261.22110	24.5
263.23654	5.6
277.21762	3.3
301.21860	3.5
303.23123	3.3
304.29007	2.7
335.25806	67.2
363.25372	3.3
369.24063	4.2
405.26605	10.0
443.27618	2.5
452.84421	2.6
461.29044	4.7
479.30185	9.5
497.31598	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90359	2.0
52.53017	2.2
53.03930	8.0
55.01865	6.4
55.05502	23.8
55.79520	2.1
55.95484	1.9
57.03426	32.4
57.07065	2.7
61.02604	3.1
61.02917	56.4
63.89734	2.0
65.03923	7.7
67.05497	94.6
69.03425	44.6
69.07060	24.5
69.95063	7.0
69.95493	7.1
71.01336	8.8
71.04980	7.5
73.02905	25.9
79.05486	67.8
81.03413	28.6
81.07046	100.0
81.07529	5.0
83.04971	9.5
83.08599	12.5
84.28008	2.4
85.02888	52.2
85.06518	4.9
85.56731	2.4
87.04469	2.6
90.33162	2.0
91.03423	3.2
91.03954	35.1
91.05466	46.1
93.07030	68.6
95.04948	12.7
95.08598	66.7
96.86546	2.4
97.02883	48.7
97.06524	8.6
97.10133	2.9
99.04431	9.6
101.02367	9.5
103.03907	10.2
105.07009	38.1
107.04949	3.5
107.08578	38.0
107.09235	3.5
109.02857	12.3
109.06507	10.7
109.10147	32.9
111.04420	3.8
111.08073	3.4
115.03876	3.5
115.05386	2.7
117.05454	2.7
117.07005	20.7
119.08559	33.1
121.06491	4.9
121.10133	29.6
123.08043	4.7
123.11694	8.4
125.05968	3.3
125.09555	2.5
127.03910	18.7
128.06213	3.1
129.05450	3.7
129.06989	9.7
131.08556	24.5
133.10115	21.4
135.08014	5.1
135.11673	21.6
137.09579	6.1
137.13274	4.1
139.07486	2.3
139.11157	2.9
141.05556	2.7
141.06932	4.5
143.08540	9.9
145.04907	5.1
145.06483	4.6
145.10089	25.8
147.08069	4.7
147.11682	14.7
149.09618	6.9
149.13213	12.6
151.11148	3.2
153.06929	2.6
155.08563	5.9
157.10143	8.6
159.08051	3.0
159.11693	17.3
161.09564	5.7
161.13231	15.0
163.11163	4.2
163.14796	4.8
165.12766	2.9
167.08569	3.0
169.10129	4.5
171.08035	2.8
171.11659	7.9
173.13234	11.3
175.11188	3.1
175.14839	5.3
181.10081	3.9
183.06596	2.6
183.11700	6.3
185.09692	3.4
185.13211	6.2
187.11137	3.7
187.14836	8.0
195.11703	2.6
197.13216	4.0
199.11111	3.1
199.14799	4.2
208.26083	2.8
213.12587	2.5
241.19525	2.4
243.21077	5.3
259.20477	3.3
261.22119	15.4
273.22186	2.9
277.21454	2.8
289.21600	4.7
297.22015	3.0
301.21652	2.9
303.23102	4.7
315.23389	2.6
327.23431	3.2
335.25775	55.7
345.24194	4.8
351.23325	2.8
363.25275	3.5
369.24127	9.8
377.26990	2.9
387.25192	4.5
405.26666	7.0
419.27917	2.6
443.27786	6.2
461.28717	4.3
479.30002	7.8
497.31262	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	9.9
55.01862	7.8
55.05506	22.6
57.03431	36.2
57.07062	3.2
59.04964	1.8
61.02921	76.0
64.87163	1.7
65.03934	3.4
67.05499	100.0
69.03424	40.7
69.07063	22.2
71.01341	5.3
71.04982	8.7
73.02911	37.1
79.05486	63.7
81.03413	23.8
81.07048	97.2
81.07536	3.5
83.04977	9.3
83.08612	11.7
85.02898	76.6
85.06544	2.5
87.04459	4.4
91.03945	50.8
91.04902	2.8
91.05467	39.7
93.06430	2.0
93.07034	67.8
95.04953	11.7
95.08601	81.2
97.02885	61.7
97.06512	7.6
97.10149	5.2
99.04446	17.5
99.08060	2.7
101.02367	15.4
103.03929	9.9
105.07021	32.9
107.04935	3.7
107.08582	42.8
109.02879	10.8
109.06510	5.6
109.10140	32.7
111.04441	3.4
111.08030	2.1
115.03899	6.8
117.05502	2.4
117.06997	15.4
119.08584	24.2
121.10143	37.9
123.08062	3.7
123.11708	14.0
125.09565	2.2
127.03917	28.5
129.05463	7.9
129.06993	4.0
131.08563	24.1
133.06432	2.4
133.10127	25.0
135.11684	26.5
137.09647	2.9
137.13298	2.8
139.07533	2.1
143.08559	5.9
145.04915	10.7
145.10115	20.3
147.11655	12.7
149.09650	3.4
149.13232	16.1
155.08437	2.7
157.10074	3.5
159.06505	3.1
159.11674	16.2
161.09633	2.4
161.13208	11.5
163.14819	7.3
169.10188	1.9
171.06516	2.1
171.11649	3.0
173.13242	10.7
175.14807	4.0
177.16380	2.4
183.06523	5.6
185.13196	3.6
187.11154	2.5
187.14845	6.4
197.13283	2.3
201.07599	2.6
205.15843	1.9
217.15813	2.0
223.14787	2.4
243.21069	8.1
259.20596	3.9
261.22141	25.3
277.21710	2.6
279.22961	2.4
285.22290	2.1
289.21631	2.1
301.21680	2.2
303.23071	2.2
318.15186	1.8
327.23352	2.2
330.96753	2.0
335.25754	86.0
344.07803	2.2
363.25394	3.2
369.24164	4.0
387.25269	3.2
405.26019	2.0
443.27725	3.9
461.28882	2.5
479.29874	6.1
497.31039	16.3
517.98511	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58084	4.1
56.96544	4.2
60.93307	4.8
70.06564	9.4
71.73775	6.5
72.08128	9.7
72.18959	3.8
84.04492	5.1
84.08124	10.9
85.02875	4.2
86.09686	8.7
88.13598	3.7
91.05457	5.8
98.97575	9.5
105.07008	8.9
116.98618	9.1
120.08092	23.2
121.08401	6.4
121.44282	3.9
122.01499	4.3
133.06444	6.7
134.99623	6.1
136.07532	5.4
152.63179	4.0
158.91716	3.8
161.05928	17.5
191.68968	4.0
203.04779	4.9
219.01775	6.5
237.02744	12.7
241.09566	4.4
268.28540	5.2
270.04163	5.6
284.10574	4.8
295.05673	4.8
317.13956	4.5
323.05322	5.7
335.18802	4.3
351.48090	4.9
411.09753	9.1
429.10593	9.7
453.11383	14.4
497.10565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	9.6
55.01858	9.4
55.05500	12.1
57.03419	11.3
61.02901	5.9
65.03925	3.5
67.05494	15.3
68.99773	9.1
69.03424	52.2
69.07044	3.2
71.01333	4.8
71.04975	6.7
71.49881	5.0
73.02898	6.9
79.05493	12.7
81.02927	5.0
81.03404	84.0
81.07046	14.6
82.03719	3.3
83.01316	3.4
83.04973	13.7
83.08586	8.7
85.02893	92.5
86.09686	2.5
87.00823	34.6
91.05450	14.9
93.07029	7.1
95.04982	15.2
95.08553	4.6
97.02309	3.7
97.02879	42.6
97.06534	5.4
99.04444	20.8
99.08048	3.3
100.11200	3.3
101.02350	4.4
103.03911	10.4
105.01849	27.1
105.07021	8.3
107.04933	8.3
107.08549	8.0
109.02859	62.3
111.04429	19.6
111.08045	3.8
113.02333	3.5
117.06987	9.6
119.08536	5.7
121.10131	4.3
123.04427	14.4
123.08059	4.0
125.02309	9.0
127.03899	100.0
129.01804	6.3
129.05473	3.2
135.04446	3.2
135.08032	9.2
137.05908	4.0
137.09630	7.3
139.03854	4.6
145.04910	12.9
147.02835	3.2
147.04256	3.8
151.03871	15.8
153.09058	3.0
159.02890	8.0
160.10359	2.6
161.09700	2.5
163.03792	2.6
163.07515	4.6
165.05450	6.6
169.04933	20.2
171.02858	4.7
175.11172	4.4
181.08600	4.3
182.15387	4.2
187.06012	13.7
189.03915	22.9
193.04897	11.9
193.12242	13.0
194.12486	7.1
198.14905	4.1
199.09599	3.8
210.14803	4.5
211.05988	5.1
213.03917	11.1
217.04915	4.4
231.04926	15.6
235.06020	7.9
237.02785	3.2
255.04898	6.5
255.12238	6.6
267.15765	7.4
268.16174	4.4
273.06009	43.2
274.06512	2.9
285.16959	18.3
286.17239	9.2
311.12775	7.5
327.07404	2.8
337.17447	2.7
339.07065	3.6
443.07465	3.2
457.32608	2.9
497.21851	3.8
523.50360	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40436	2.1
51.54705	2.1
53.03923	2.0
55.01853	2.1
55.55642	2.1
56.96550	3.2
63.07231	1.9
65.73282	2.1
67.05492	4.5
67.06887	1.8
69.03410	5.9
71.74718	3.2
81.03409	14.1
85.02888	16.1
86.09711	2.5
87.00817	6.1
91.05444	2.5
93.06989	2.6
95.04945	2.8
97.02884	10.0
97.06516	4.3
98.97581	9.2
105.01844	5.0
109.02856	9.0
110.97538	2.9
116.98621	6.0
123.70371	1.9
127.03886	12.4
128.83432	2.0
128.98640	4.6
156.78990	2.3
166.97508	1.9
169.04968	2.7
176.64796	2.5
187.05984	2.5
189.03938	2.7
219.01733	4.6
237.02849	7.8
244.02611	2.2
270.04260	4.3
273.06024	4.4
288.05167	3.2
327.07346	5.0
381.08832	2.4
388.06546	2.7
411.09348	3.3
412.07373	4.2
429.10699	9.6
453.11826	6.7
485.31580	2.3
497.10522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.2
56.05014	0.5
57.03425	0.2
57.07059	0.6
58.06355	0.2
58.06618	0.5
59.07398	0.2
60.08155	6.6
61.49426	0.1
65.19660	0.1
67.05501	0.3
71.07362	2.9
71.08623	0.4
72.99221	0.1
80.82877	0.2
85.10148	0.2
86.09693	29.0
90.94749	0.2
95.08576	0.3
98.98449	3.2
104.10719	2.9
109.10141	0.2
124.99985	20.7
126.85779	0.1
131.33298	0.1
143.01018	0.2
165.77206	0.2
184.07317	100.0
185.07658	0.7
229.74207	0.2
258.10818	0.2
274.79724	0.2
313.27350	0.3
478.32803	1.1
496.33969	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3395
Annotation	2-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05493	0.3
56.05037	1.0
57.03427	0.7
57.07072	3.2
58.06572	1.2
58.23413	0.1
59.07376	0.3
60.08158	17.3
67.05490	0.8
69.07059	0.6
70.06578	0.2
70.46100	0.3
70.46463	0.4
71.07366	6.0
71.08621	2.5
81.07047	0.8
83.04966	0.2
83.08614	0.6
85.10184	1.0
86.09698	51.0
87.10026	0.3
89.06012	0.2
93.07040	0.2
95.08595	1.0
97.10139	0.4
98.21496	0.2
98.97801	0.2
98.98458	3.8
102.15746	0.2
104.10732	100.0
105.11081	0.6
109.10139	0.4
124.99989	28.5
129.48245	0.2
137.13229	0.2
143.01083	0.2
163.01538	1.0
181.02589	0.2
184.07326	96.0
185.07663	0.9
213.96443	0.2
258.11057	1.3
268.10657	0.1
313.27383	1.9
419.25555	0.3
478.32898	8.4
479.33548	0.2
496.33948	21.8
497.34317	1.4
520.33441	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	6.9
55.01853	5.2
57.03410	5.9
60.04514	1.6
61.02903	6.3
68.99770	4.4
69.03422	36.8
70.99563	2.2
70.99892	2.5
71.04959	5.1
73.02890	6.4
81.03410	44.5
85.02895	94.0
86.14082	1.6
87.00819	35.5
87.04441	1.6
91.03914	2.4
91.05432	2.4
97.02881	72.7
98.06042	2.5
99.04440	9.5
105.01852	70.9
105.07033	2.4
108.04478	15.8
109.02861	48.1
109.06509	28.9
117.01827	3.0
126.05473	5.1
127.03899	100.0
129.01826	5.0
133.06479	5.7
145.04935	33.7
147.02870	6.0
147.08011	1.6
151.11133	10.4
155.51134	1.5
159.02882	12.6
159.11633	1.5
160.27420	1.6
163.11203	11.1
175.07539	2.5
175.11192	3.9
177.03888	2.1
187.11095	2.0
189.03908	7.8
193.12238	5.0
199.07521	2.4
213.03893	5.0
217.08553	2.6
217.12192	6.4
230.06580	2.1
231.04965	33.2
241.12192	5.8
248.07626	20.3
249.05986	21.0
259.13254	6.5
266.05850	3.2
266.08673	49.1
297.07715	3.8
311.00629	2.2
339.09116	1.6
341.46753	1.7
345.13156	6.2
363.14236	3.8
416.19180	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01866	2.9
55.05503	8.8
57.03419	3.9
59.04994	2.3
61.02924	2.5
66.41918	1.8
67.05491	10.4
69.03412	2.1
69.07057	1.8
70.06576	2.1
71.04992	2.6
71.74695	2.2
73.24133	1.6
74.10851	1.5
79.05482	6.6
80.52555	1.6
80.77324	1.4
81.03415	41.2
81.07049	11.6
83.04961	4.3
83.08617	18.2
85.02901	5.8
85.06535	2.2
86.09689	4.3
91.03976	1.5
91.05466	15.1
93.07046	10.0
95.04961	13.7
95.08584	4.1
97.02880	6.2
97.06531	4.2
99.00806	11.6
99.88785	1.3
104.10804	2.0
105.07014	9.2
107.04961	8.1
107.08611	5.3
109.02859	6.0
109.06516	3.9
109.10165	3.2
111.08064	5.4
115.03865	1.6
117.07016	2.6
119.08543	9.8
119.67901	1.5
120.08068	1.8
121.06505	2.9
121.10162	2.7
123.11682	2.6
127.03900	2.5
129.07016	5.4
131.08527	4.0
133.10120	23.0
135.08070	1.5
137.09613	4.4
139.07483	1.6
143.08534	2.6
147.08099	2.9
147.11664	3.5
149.09560	2.5
151.11131	8.0
157.10117	5.2
161.09605	15.5
163.11186	2.2
165.09052	2.7
171.07982	2.0
175.11206	6.5
179.10660	8.5
189.09064	5.4
193.12228	33.9
197.11713	3.7
207.10204	2.7
211.13289	2.8
225.11221	16.2
243.12268	7.0
267.15906	23.9
269.12045	1.7
281.13831	7.1
285.16965	34.2
293.16568	2.6
299.14874	100.0
300.15228	1.8
309.17038	5.4
317.15930	2.7
321.16095	1.9
336.16995	2.8
364.16412	2.3
434.86847	1.9
436.18542	6.5
496.20581	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.01856	4.6
55.05508	25.0
56.88509	0.9
57.03431	17.3
57.07059	1.4
59.04991	2.3
65.03934	2.5
67.05499	37.8
69.03422	9.1
69.07060	12.0
71.04984	8.1
71.74287	1.6
73.02910	1.1
79.05491	41.2
81.03413	90.2
81.07050	45.8
83.04972	18.5
83.08612	32.9
83.08981	0.7
85.02903	45.9
85.06558	2.2
87.04479	1.3
91.05472	48.1
93.07037	28.9
95.04964	36.8
95.08598	19.7
97.02880	5.6
97.06525	8.9
97.10151	6.9
99.04438	1.8
103.05439	1.2
105.01877	1.7
105.07023	37.9
105.07715	2.3
106.07382	1.3
107.04958	8.2
107.08590	14.3
109.02898	1.5
109.06531	6.9
109.10147	7.9
111.04430	3.9
111.08076	18.4
113.05987	4.4
115.05466	1.9
117.06995	3.5
119.04959	1.0
119.08576	31.0
119.09410	2.2
121.06548	2.6
121.10138	12.4
123.08085	3.6
123.11721	3.6
125.06004	1.8
125.09626	2.9
127.03922	3.1
128.06194	1.5
129.05499	1.4
129.07005	16.1
131.08556	18.8
133.06487	5.6
133.10115	16.9
135.08089	1.9
135.11665	2.9
137.09624	2.5
142.07758	3.9
145.10117	3.7
147.08005	5.5
147.11679	21.5
149.09642	9.5
151.11131	2.0
153.01846	7.7
157.10117	19.4
163.11153	1.8
165.12755	5.4
171.61775	1.4
175.11177	18.8
189.11247	2.5
193.12228	88.5
194.12505	1.5
211.13280	100.0
212.13649	2.5
267.15918	7.8
267.65408	1.3
285.17029	3.6
289.11179	2.2
367.22589	1.6
454.96561	1.3
459.27600	3.0
477.15308	2.1
477.28638	4.3
495.16672	5.3
495.29553	79.9
496.30014	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	13.3
55.01869	18.1
55.05508	37.1
57.03433	52.5
57.07065	5.3
59.04995	3.2
61.02914	69.6
65.03928	7.1
67.05496	88.6
68.99777	3.5
69.03419	40.9
69.07062	34.8
70.86351	10.5
71.01339	14.6
71.04974	9.8
73.02906	39.7
75.04488	5.2
78.27072	3.1
78.46311	4.8
79.05481	84.3
81.03407	39.5
81.06599	7.0
81.07047	90.2
81.07530	5.5
82.04198	3.6
83.04967	14.2
83.08595	13.6
85.02892	70.5
85.06516	7.3
87.04454	6.2
90.23825	3.2
91.03946	42.7
91.05462	100.0
92.05829	3.5
93.07035	97.4
95.04948	32.1
95.08592	58.6
97.02877	58.2
97.06517	20.2
97.10152	7.3
99.04445	10.6
101.02375	9.0
103.03896	8.7
103.05445	6.3
105.07012	97.7
107.04950	12.2
107.08584	54.2
109.02866	4.3
109.06538	11.3
109.10141	29.2
111.04433	8.8
111.08075	6.0
115.03945	4.4
115.05438	8.2
117.05569	3.9
117.07007	50.4
119.07732	4.9
119.08573	77.4
121.06505	16.2
121.10139	41.4
123.08054	7.9
123.11714	6.7
125.09624	7.1
127.03918	17.2
128.06204	10.2
129.05469	9.4
129.06981	43.6
131.04915	3.7
131.08556	64.8
133.06483	10.5
133.10120	56.0
135.08049	10.3
135.11684	34.9
137.09641	5.1
141.06995	15.2
142.07780	5.5
143.08562	38.7
145.04932	5.6
145.06471	12.3
145.10092	59.0
147.08032	10.2
147.11667	44.6
149.09581	7.7
149.13237	17.1
153.01819	15.8
153.09001	3.9
155.08569	22.1
157.06493	6.3
157.10118	30.5
159.08063	10.1
159.11661	42.5
161.09656	10.3
161.13251	27.3
163.11171	11.4
163.14861	6.3
167.08549	11.7
168.09348	4.3
169.08784	3.6
169.10104	18.0
171.08084	8.9
171.11676	29.7
173.09610	11.9
173.13185	28.6
175.11168	9.6
175.14856	8.2
177.12695	4.6
181.10139	8.4
183.06561	3.8
183.08038	8.5
183.11630	20.9
185.09630	7.2
185.13205	23.2
187.11230	6.3
187.14818	10.4
189.12743	6.5
191.14456	3.4
193.12204	4.3
195.08017	7.1
195.11711	9.3
197.09717	4.2
197.13222	16.4
199.14774	7.8
201.12723	6.0
209.13344	5.5
211.14935	8.3
213.12735	4.8
213.16339	6.2
223.14749	5.5
229.15973	5.6
231.21083	5.8
241.19518	15.3
253.19461	4.0
257.19077	7.8
259.20505	22.9
271.20593	10.6
275.20047	8.7
277.21722	7.7
283.20447	9.2
285.22244	4.6
295.20493	6.5
299.19955	6.5
301.21579	15.8
313.21582	6.8
317.21246	5.7
325.21637	10.1
331.22690	10.4
333.24149	56.3
339.23044	6.3
343.22583	8.7
345.24182	9.3
349.21323	7.7
355.22464	3.7
357.24203	5.4
361.23804	9.9
363.25229	8.4
367.22614	24.6
375.25180	16.9
385.23660	8.9
387.25244	8.2
403.24805	9.7
405.26340	4.2
417.26328	13.9
423.25385	4.2
429.26157	9.8
441.26257	40.2
459.27493	33.8
461.61676	4.0
477.28415	34.7
495.29865	72.4
496.29916	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.9
55.05504	26.9
57.03429	18.7
59.05002	1.2
61.69770	1.2
65.03925	4.7
67.05130	2.3
67.05492	40.5
69.03436	6.5
69.07060	11.2
71.04985	9.1
71.74895	1.9
79.05016	2.4
79.05479	41.5
81.03407	97.4
81.07046	53.2
83.04972	21.5
83.08605	35.1
85.02375	2.9
85.02890	49.5
85.06537	3.6
91.05466	58.9
93.06429	1.5
93.07026	31.1
95.04955	45.3
95.08598	16.5
97.02866	5.4
97.06531	11.1
97.10139	7.4
99.08075	3.4
100.11240	1.9
103.05451	2.4
105.07011	37.1
107.04939	9.5
107.08579	16.1
109.06499	8.2
109.10143	7.1
111.04417	5.0
111.08061	17.8
113.05983	4.7
113.08746	1.3
115.05482	1.9
115.99227	1.5
117.07014	5.8
119.08556	31.9
121.06507	3.7
121.09264	2.0
121.10125	18.5
123.08058	3.6
123.11675	2.9
125.09606	3.0
129.06990	20.9
131.08545	17.1
133.06491	3.5
133.10107	19.0
135.08034	3.2
135.11737	1.3
137.09602	3.8
142.07750	3.7
145.10133	3.7
147.08028	4.6
147.11668	22.8
149.09589	10.6
153.01793	8.7
157.10109	19.9
163.11185	1.9
165.12756	4.7
171.45267	1.4
175.11151	20.6
176.42409	1.3
189.11119	1.9
193.12216	93.5
195.13760	1.5
211.13269	100.0
259.15372	1.4
267.15903	9.2
285.17020	4.2
290.88037	1.3
367.22748	1.4
373.10907	1.3
385.23816	2.2
433.13092	2.0
451.27194	1.7
477.28134	7.2
495.17447	2.6
495.29480	72.5
496.29993	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.9
55.01862	13.7
55.05513	44.9
57.03428	32.9
57.07071	5.3
61.02920	70.3
65.03931	8.8
66.70026	5.0
67.05492	80.4
69.03422	45.0
69.07057	40.3
71.01337	6.2
71.04984	13.8
71.35234	11.7
73.02903	40.2
79.05482	82.7
81.03415	45.7
81.07049	82.7
83.04974	19.3
83.08612	18.0
83.58007	4.8
85.02894	73.2
85.06544	6.1
91.03938	36.6
91.05473	100.0
93.07032	95.5
95.04946	26.3
95.08592	54.0
97.02877	53.0
97.06535	28.9
97.10173	7.6
99.04453	6.7
101.02396	10.7
103.03915	7.2
103.33640	4.6
105.07021	97.8
107.04943	11.2
107.08575	53.1
109.02872	10.7
109.06502	7.7
109.10143	18.6
111.04434	10.5
111.08062	7.6
117.05493	5.8
117.07021	49.1
119.08573	71.8
121.06488	9.1
121.10160	40.8
123.08058	7.8
123.11747	4.6
127.03915	19.6
128.06168	10.9
129.05473	10.5
129.06975	30.4
131.08546	54.4
133.06503	7.5
133.10120	62.6
135.08060	12.2
135.11719	33.7
141.07001	15.6
142.07796	11.2
143.08525	32.9
145.06467	11.4
145.10095	52.1
147.07971	8.0
147.11658	41.1
149.09615	12.6
149.13237	25.1
153.01787	17.3
155.08585	22.2
156.09251	7.5
157.10095	30.3
159.08076	11.6
159.11661	42.5
161.09602	7.2
161.13281	20.0
163.11113	7.1
165.06944	6.2
165.09103	5.3
167.08601	8.6
169.10104	17.1
171.11649	26.2
173.13223	25.3
175.11235	12.7
175.14819	7.2
177.12688	6.6
179.08659	5.8
181.10126	16.3
183.11707	21.3
185.13269	21.4
187.14827	11.2
193.10159	9.9
195.11722	10.4
197.09489	5.7
197.13272	10.0
199.14937	7.9
203.14259	5.6
209.13242	11.1
211.11317	6.0
211.14951	6.2
221.15326	5.6
223.10500	5.2
241.19560	14.8
245.19089	5.4
257.18918	10.2
259.20572	28.1
271.20486	7.5
273.22122	7.1
277.21588	11.3
283.20685	11.6
299.58121	5.5
301.21545	12.2
313.21500	10.5
315.23071	5.9
321.22116	5.3
325.21600	8.1
333.24182	50.0
339.22955	7.8
343.22531	5.8
345.24173	6.3
349.21359	9.5
361.23514	9.1
363.25198	7.5
367.22751	18.3
375.25253	7.8
385.23807	13.5
387.25165	6.6
403.25189	6.7
417.26212	7.6
429.26260	11.7
441.26324	37.0
451.13824	6.6
452.13879	6.3
459.27158	24.2
477.28149	33.4
495.16556	9.6
495.29675	67.7
496.16879	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.8
55.92193	0.3
56.05025	0.6
58.06612	0.5
60.08155	5.9
67.05491	0.3
69.07047	0.8
70.02553	2.0
70.06586	0.4
71.07368	2.7
71.08618	0.4
81.07037	0.4
83.08598	0.8
86.09696	32.1
98.98457	2.9
104.10722	4.1
124.99991	22.2
143.01068	0.3
184.07326	100.0
185.07571	0.4
233.12642	0.3
301.37741	0.3
311.25931	0.3
382.38013	0.4
439.38354	0.4
476.31610	1.8
494.32315	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
56.05029	0.7
57.03431	0.3
57.07069	0.2
58.06597	0.4
60.07850	0.3
60.08155	6.8
67.05497	0.6
69.07065	0.5
70.03361	0.5
70.03778	0.7
71.07363	3.2
79.05490	0.5
81.07044	1.1
81.09440	0.2
83.08623	0.5
86.09696	31.5
88.07664	0.2
91.05466	0.3
93.07014	0.2
95.08560	0.3
98.98457	2.9
102.09171	0.3
104.10738	2.9
105.07040	0.3
107.08607	0.3
109.10237	0.2
124.99989	21.1
143.00999	0.4
149.02348	0.6
184.07323	100.0
185.07657	0.3
193.04918	0.4
237.07492	0.5
272.02844	0.2
284.29413	0.6
335.18185	0.2
356.05154	0.2
476.30887	0.9
494.33304	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.2
55.01860	3.0
56.96546	1.3
57.03395	1.0
61.02899	1.2
69.03422	1.8
69.07044	1.2
70.06571	5.2
71.04950	0.9
71.35536	1.3
72.08141	3.2
77.08596	0.8
79.05476	4.8
81.03397	1.6
84.04487	1.5
84.08112	3.0
85.02898	8.5
86.09686	3.8
87.04453	1.0
91.05470	4.5
97.02863	2.6
98.97561	1.1
103.05450	5.8
105.07018	52.7
109.02868	1.3
115.05463	10.3
116.98502	0.9
118.04140	3.8
120.08099	2.8
127.03926	1.6
129.10219	1.7
130.92366	0.8
131.04890	1.9
131.08539	3.1
133.06477	55.0
136.06166	1.8
136.07561	1.0
137.05920	1.2
137.33685	0.9
143.04936	1.5
143.06004	4.2
145.04916	1.6
161.05959	100.0
162.06334	1.3
177.00691	1.1
180.08618	2.1
193.08585	93.8
194.08891	2.8
197.88628	0.9
311.08264	0.9
362.18124	2.0
494.22382	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.5
55.42513	1.3
56.05009	1.7
60.04523	1.3
60.87115	1.3
67.05474	1.5
69.03416	1.7
70.06575	5.2
71.73811	2.6
72.08163	8.3
79.05477	4.0
84.04501	4.7
84.08119	3.8
85.02870	9.4
86.09689	5.9
91.05477	5.4
98.97562	3.2
103.05431	5.1
105.07017	51.1
109.02848	1.8
115.05473	10.0
116.98654	1.7
118.04120	3.8
120.08066	5.0
120.20364	1.4
129.10240	2.5
131.04924	1.8
131.08560	6.4
133.06468	48.7
134.99596	2.0
136.06195	1.6
136.07556	1.7
143.06024	3.8
145.04956	2.7
161.05960	97.0
162.02206	1.8
193.08580	100.0
194.08870	2.4
362.18188	5.4
476.12976	1.6
494.21045	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2792
Annotation	Mucronine B
Peak:m/z	Relative Intensity
50.63385	1.5
53.03925	4.4
55.01865	15.6
55.05503	37.5
57.03431	14.5
57.07058	3.6
58.04405	1.3
59.04980	2.5
60.73215	1.5
65.03919	3.3
67.05497	46.7
69.03412	6.2
69.07068	12.7
71.01342	2.3
71.04985	11.4
71.85117	1.4
72.41860	1.4
79.05481	56.5
81.03407	80.1
81.07046	56.5
83.01332	10.3
83.04966	29.4
83.08608	38.7
85.02895	32.5
85.06529	3.3
91.05471	53.8
93.07032	51.4
95.04955	41.5
95.08591	21.4
97.02888	7.1
97.06525	13.0
97.10147	6.8
99.04408	2.0
99.08070	3.0
105.06320	2.6
105.07015	41.1
107.04933	18.4
107.08575	25.5
109.06505	14.8
109.10126	8.6
110.10458	1.5
111.04446	8.5
111.08081	14.2
113.05980	2.3
117.07010	13.6
119.08570	28.1
121.06507	7.1
121.10124	21.7
123.08067	14.2
123.11663	2.5
125.05986	3.6
125.09593	4.4
127.07587	1.8
128.06152	1.8
129.06963	11.7
130.07738	1.7
131.04907	1.6
131.08546	17.4
133.06471	4.0
133.10106	11.5
135.08035	5.1
135.11674	18.0
137.06018	1.7
137.09593	5.6
139.07471	1.5
142.07664	2.8
143.89464	1.5
145.06444	2.3
145.10110	21.0
147.08005	7.7
147.11642	12.3
149.09589	7.6
153.12711	5.6
155.08572	2.7
157.10080	13.8
163.11162	40.7
165.12733	3.1
173.09596	5.1
175.11169	18.8
181.10809	1.7
181.12154	8.4
183.71355	1.5
191.10643	4.3
193.12221	70.0
198.13220	1.3
209.11670	9.5
211.13268	83.8
221.15521	2.0
227.12726	8.6
238.46146	1.6
249.14845	2.2
267.15979	3.6
283.15549	4.1
352.25650	2.2
357.37772	1.5
383.22052	2.8
475.26660	5.2
493.27869	100.0
494.28036	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.7
55.01866	0.8
55.05503	9.8
57.03191	0.6
57.03431	5.9
57.07063	2.4
58.06593	22.1
65.03920	1.0
67.05495	24.3
69.07056	14.9
71.04983	0.9
71.08617	0.7
79.05487	6.9
81.07047	23.7
83.08610	7.1
85.06526	0.9
91.05471	4.5
92.75494	0.4
93.07030	6.5
95.04930	1.3
95.08595	19.8
97.06512	1.9
97.10152	3.5
99.08086	0.9
105.07001	3.4
107.08566	4.4
109.10141	6.1
111.11665	0.7
119.08588	2.8
121.10087	2.9
123.11678	2.5
125.09589	0.5
133.10078	2.4
135.11667	1.3
136.24925	0.5
137.13248	0.9
145.06412	0.5
147.11690	1.5
149.13210	0.7
156.04166	4.2
161.13263	1.0
163.14796	0.7
175.14822	1.3
189.16383	0.6
229.53792	0.5
256.26193	0.7
263.23703	1.0
310.99533	0.6
320.28928	0.5
337.27319	100.0
338.27716	2.5
472.75690	0.5
492.32474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2794
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03936	5.0
55.01864	14.5
55.05507	38.6
57.03437	14.4
57.07069	3.2
58.05286	1.6
59.04982	4.7
61.13915	1.8
65.03933	3.8
66.12018	1.8
67.05498	50.0
69.03417	7.6
69.07068	13.3
70.10014	9.7
71.01308	2.3
71.04978	9.5
79.05487	55.4
81.03415	72.3
81.07049	58.6
82.03714	1.9
83.01337	6.9
83.04972	31.8
83.08151	3.4
83.08610	33.9
85.02901	36.7
85.06549	4.2
89.83836	1.9
91.05467	48.4
93.07037	49.3
95.04962	44.8
95.05564	2.0
95.08591	27.1
97.02871	6.7
97.06516	12.2
97.10155	6.8
98.21279	2.1
99.04440	3.0
99.08084	2.1
99.92414	1.7
101.05949	2.1
103.05441	4.1
105.07018	40.9
107.04941	16.6
107.08584	26.7
109.06516	11.9
109.10154	8.5
111.04435	11.0
111.08070	16.2
117.07021	16.9
119.08577	28.9
121.06505	8.6
121.10117	21.0
123.04494	1.7
123.08057	12.4
123.11692	2.7
125.06002	2.9
125.09648	3.5
129.06999	15.2
130.07765	3.1
131.08554	17.5
133.06499	5.4
133.10126	12.1
135.08054	3.1
135.11688	15.6
137.09628	3.9
140.06133	1.7
142.07780	3.4
143.08592	3.6
145.06462	3.5
145.10118	22.4
147.07994	6.5
147.11710	16.2
149.09648	8.1
151.11186	2.4
153.12761	6.1
155.08603	3.9
157.10106	13.9
159.62961	1.6
160.84718	1.5
163.11195	34.8
165.09195	2.7
165.12793	2.1
173.09616	5.5
175.11197	16.4
181.12279	6.4
191.10651	4.6
193.12228	61.6
194.12576	2.0
209.11713	14.6
211.13283	71.9
227.12761	9.3
237.14676	1.9
249.14742	2.4
267.15933	6.1
283.15433	5.5
383.22162	4.5
401.23270	4.0
450.10153	2.0
457.25937	2.9
475.13879	2.2
475.26791	6.7
493.14536	7.3
493.27960	100.0
494.28143	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87830	0.8
53.03937	1.6
55.01854	2.2
55.05507	8.5
57.03434	4.7
57.07067	1.7
67.05497	22.6
69.07061	7.9
70.28690	4.5
71.08622	24.9
79.05482	20.7
81.03395	4.9
81.07047	24.5
83.04971	4.0
83.08603	4.5
91.05474	16.6
93.07031	26.1
95.04971	6.4
95.08596	16.9
97.06514	6.3
97.10161	1.8
98.98450	1.6
99.08080	14.5
105.07012	10.4
106.07407	0.9
107.04913	4.2
107.08575	12.7
109.06524	2.7
109.10137	5.4
111.08072	0.9
113.09676	1.8
117.07014	2.6
119.08562	8.4
120.08858	0.9
121.06453	2.1
121.10139	12.0
123.11724	1.3
124.01620	0.9
127.11243	1.0
129.06989	2.1
129.43440	0.9
129.47296	0.8
131.08577	3.3
133.10107	6.8
135.11670	15.5
137.09578	2.1
141.09111	2.0
143.08546	1.3
145.10120	2.9
147.11685	3.5
149.13257	4.6
151.11162	8.9
153.12741	1.2
154.35049	1.1
157.10153	1.2
159.11618	1.8
161.13249	5.5
163.11168	4.0
165.12639	1.0
167.10641	1.3
177.12766	2.4
179.14294	48.2
180.14610	1.4
185.13214	1.1
189.12679	1.4
195.13808	1.2
216.06320	1.3
221.15411	1.2
222.18561	1.6
235.16971	2.6
239.03519	0.9
259.20496	2.4
277.21600	30.6
320.25766	7.6
327.20560	1.0
351.25272	100.0
352.25668	3.0
431.21967	1.8
497.11389	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50933	1.7
53.03922	2.6
55.01842	2.6
55.05496	6.5
57.03440	2.7
60.88668	2.2
62.06070	8.4
67.05494	26.1
69.07055	10.9
70.64886	4.1
71.08622	29.0
79.05493	25.1
80.24986	1.8
81.03401	5.2
81.07041	28.9
83.04967	7.8
83.08607	6.7
85.06506	3.9
91.05453	17.8
93.07030	28.9
95.04949	7.5
95.08604	17.5
97.06512	7.5
98.21400	2.5
98.98480	13.6
99.08085	20.1
105.07008	12.1
107.04949	3.7
107.08584	18.2
109.10137	8.8
111.08075	3.7
117.07020	3.6
119.08574	8.6
121.10117	14.9
129.06964	3.4
131.08566	3.9
133.10152	10.3
135.08015	2.1
135.11676	17.3
137.09566	3.6
145.10054	2.5
147.11667	5.2
149.13202	4.6
151.11169	13.7
155.01050	8.2
159.11790	2.3
161.13249	10.7
163.11142	6.8
163.14809	2.3
179.14288	61.9
185.13275	2.8
216.06233	2.3
222.18417	2.2
235.20419	2.2
241.19655	3.1
259.20584	5.6
277.21603	54.2
320.25870	7.1
333.14664	8.0
351.25244	100.0
377.83237	2.1
409.40979	1.9
413.20703	4.7
431.21918	44.4
449.22961	4.9
457.24463	2.0
471.37149	2.2
474.26138	4.1
492.27103	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55252	0.7
55.01859	1.3
56.05022	1.0
57.03422	1.2
58.99574	0.9
61.02931	1.3
69.03412	5.3
69.07042	1.6
70.02941	4.7
70.06580	2.0
70.43045	3.1
71.04984	1.2
71.10619	0.7
73.02892	1.4
74.00659	3.8
75.36034	0.7
76.02219	2.4
79.05481	2.3
81.03411	2.7
81.07072	1.0
84.08106	1.5
84.48174	1.0
85.02893	12.0
86.06055	1.7
86.09703	2.4
86.99066	0.7
88.03979	100.0
90.22663	0.8
91.05467	3.5
95.04909	0.8
97.02885	5.0
100.62103	0.8
103.05452	2.2
105.00041	1.2
105.03414	1.0
105.06986	0.9
106.04163	3.1
107.08593	0.9
109.02890	2.4
109.53582	0.7
111.80770	0.8
112.26394	1.0
116.10727	2.6
117.03333	1.6
119.04933	1.5
120.01156	7.8
121.01078	3.6
121.06493	5.4
122.02724	8.5
124.03407	1.3
127.03914	1.3
131.04951	1.0
131.08537	1.6
134.03572	1.2
135.02649	4.4
135.04430	1.7
137.05978	2.3
137.09460	0.7
145.04935	2.4
145.09991	0.9
145.94141	0.7
147.04417	2.5
148.05145	1.9
149.00580	6.0
149.05965	9.5
150.01341	1.2
153.03688	2.7
163.02122	8.1
163.03909	4.0
163.07507	1.7
165.03722	2.4
166.00844	7.5
167.07095	0.8
176.04713	2.4
177.00085	0.9
177.05475	6.3
179.01668	1.2
180.02356	2.3
181.03181	7.7
181.08524	3.9
183.01057	2.4
183.06494	1.0
187.43129	0.9
191.01610	1.6
193.03339	1.8
193.04913	8.5
194.00310	1.8
194.02690	1.0
195.01126	1.8
195.04726	4.1
195.06462	1.7
198.03525	1.4
200.01340	1.6
208.01903	2.9
208.07300	8.5
209.02644	19.5
209.08058	13.9
209.11586	1.2
209.15239	1.2
210.03377	1.1
210.08543	1.1
211.00627	4.2
211.04210	10.3
212.03746	3.5
212.16481	1.0
213.02281	0.9
225.02145	1.3
225.59276	0.9
226.02927	10.0
228.04628	1.5
230.17526	5.4
239.03809	0.9
241.05260	67.0
242.05716	4.0
243.06824	12.6
257.03445	4.7
298.07492	1.3
318.13431	1.4
330.10022	31.1
333.32736	0.9
492.21436	1.0
492.31934	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01865	0.5
55.05501	1.7
57.03425	0.2
57.07065	0.4
58.84650	0.2
67.05495	5.0
69.03406	0.8
69.07059	0.7
71.03123	0.2
71.03463	0.5
71.04968	0.6
78.79951	0.2
79.05483	1.9
81.03384	0.6
81.06599	0.4
81.07046	5.2
83.04963	0.7
83.08596	0.6
85.02898	0.3
85.06542	0.5
91.05464	1.7
93.07025	1.3
95.04964	0.9
95.08595	3.1
97.02877	0.3
97.06506	0.7
97.10173	0.4
105.03352	0.2
105.07012	1.0
107.04934	0.9
107.08594	1.2
109.06496	0.6
109.10145	6.7
117.06988	0.4
119.08578	3.3
121.06499	1.0
121.10107	0.6
122.07278	1.5
123.08068	0.3
123.11693	7.5
125.09602	0.4
129.07027	0.3
131.08528	0.5
133.10045	0.3
135.07983	0.4
135.11652	0.3
137.09595	12.1
138.09937	0.3
139.07568	0.4
143.08540	0.6
145.10109	0.4
147.07996	0.5
147.11768	0.2
149.09631	0.5
149.13216	0.3
154.70340	0.2
155.10672	0.7
163.11198	0.7
165.09094	100.0
166.09372	2.2
167.87057	0.2
173.09669	0.3
173.11726	0.3
175.11183	0.7
183.10155	0.8
186.66412	0.3
189.11168	0.3
189.12718	0.5
201.11218	1.6
203.14313	0.3
205.12254	0.4
209.18962	0.4
219.13750	0.3
227.12715	0.3
231.13869	0.3
289.31506	0.2
293.24557	0.4
339.25464	1.1
367.22845	0.4
368.16980	0.3
385.23734	0.6
459.27286	1.1
491.13593	1.1
491.30597	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2988
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
63.28082	0.7
67.05497	5.2
69.42061	1.3
69.42469	6.7
79.05461	1.4
81.07042	2.9
81.78826	0.7
93.07005	1.6
95.08599	3.0
107.35393	0.7
109.10140	2.1
118.13963	0.8
157.36519	0.7
181.03220	0.7
205.67224	0.8
207.49561	0.7
455.35013	0.8
491.29929	100.0
491.36346	3.9
492.30118	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38972	0.2
56.76735	0.2
59.06132	0.3
65.87954	0.2
70.06573	0.6
71.49141	0.6
72.08161	0.3
81.03426	0.4
85.02906	0.5
86.09699	0.9
89.07145	0.8
99.04475	0.3
127.03875	0.3
145.02766	0.2
177.05504	0.3
199.20705	0.3
203.05275	0.7
255.03195	0.9
255.12021	0.5
259.07938	1.0
273.04190	0.4
288.55072	0.3
329.06906	0.4
329.15656	3.2
415.15543	0.4
431.18793	0.6
441.16879	0.3
459.18295	0.8
491.20972	100.0
492.21341	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.2
53.71164	0.2
55.05501	0.4
56.05021	0.4
57.03424	0.3
58.06609	0.4
60.08157	6.4
67.05493	1.7
69.07056	0.3
69.89500	0.4
69.89930	0.9
70.06580	0.2
70.47858	0.2
71.07362	2.7
79.05486	0.9
81.07047	1.4
86.09696	31.8
91.05475	0.7
93.07027	1.0
95.04961	0.3
95.08591	0.6
98.98447	3.6
98.99074	0.3
104.10731	3.1
104.11369	0.3
105.07004	0.5
107.08585	0.4
109.10137	0.4
117.06962	0.2
119.08544	0.2
121.10165	0.5
124.99990	21.6
135.11661	0.3
143.00961	0.4
147.11673	0.3
156.30850	0.2
184.07324	100.0
185.07643	0.5
196.45399	0.2
307.22479	0.3
472.28391	1.0
490.29153	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.6
57.07060	1.7
57.16508	1.9
67.05486	6.3
69.03422	2.3
69.07053	2.1
70.06553	1.8
71.06440	4.2
72.08134	2.5
79.05482	6.5
81.03407	2.6
81.07036	6.1
83.04984	1.9
83.46620	1.5
85.02872	8.1
85.06529	5.8
86.09694	7.2
87.00815	2.6
91.05466	16.8
93.07046	6.3
95.04948	2.2
95.08608	5.7
97.02875	3.2
97.06534	5.8
103.05464	2.1
105.01842	5.6
105.07024	45.3
107.08582	9.2
109.02874	2.8
109.06491	11.8
109.10143	2.5
117.07030	4.7
118.48271	1.4
119.08566	52.6
121.10148	12.2
123.08090	10.6
123.11711	6.6
127.03911	4.3
129.06956	2.2
131.08545	6.7
133.06470	4.6
137.06000	3.0
137.09651	8.6
145.04985	2.2
145.10109	17.6
147.08076	2.7
147.11668	86.3
149.09596	12.7
151.07523	3.4
151.20230	1.5
156.09346	5.1
159.02846	1.7
159.07965	1.9
161.13289	3.3
163.11200	7.5
165.12759	3.7
171.11656	5.5
189.12732	79.7
207.13785	100.0
225.14848	3.8
231.05014	2.8
249.06021	2.0
275.12735	2.9
279.79324	1.7
311.05530	2.7
418.81656	2.1
472.29202	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01864	6.9
55.05490	1.4
57.03428	15.8
59.04991	1.7
60.47106	0.9
61.02923	15.3
67.05494	3.5
69.03041	1.3
69.03419	27.8
71.01340	4.0
71.04998	2.2
71.74051	1.1
73.02906	100.0
81.03403	8.3
81.07049	2.4
85.02895	63.0
86.09700	2.1
87.04448	3.8
91.03931	3.1
91.05468	2.4
93.07047	3.6
95.04961	1.9
95.08566	1.5
97.02881	48.6
97.06522	1.2
99.04428	2.6
100.99921	1.0
103.03919	3.3
103.05445	4.4
105.07016	1.6
107.04939	2.3
109.02840	7.3
109.10162	3.8
110.10482	1.7
115.03918	33.8
117.03409	1.2
119.08591	1.2
120.08044	1.1
121.06496	11.4
123.08040	1.3
127.03893	25.4
128.04291	0.9
133.04956	33.3
137.02272	2.9
137.09605	6.8
138.03099	9.9
138.09924	2.3
139.70267	1.0
144.06569	2.4
145.04944	32.3
147.11696	1.0
149.05960	13.7
150.07591	5.4
151.03931	5.1
151.91760	1.1
157.04938	1.2
161.05942	1.9
162.07642	1.9
163.03911	6.0
163.06009	8.9
164.04247	2.7
165.09094	4.7
166.09444	2.7
176.08240	2.2
177.05511	1.2
179.07013	66.7
180.08690	3.4
181.04987	1.2
189.05418	1.3
193.04933	2.2
199.05998	2.2
201.05530	1.6
203.07077	1.1
207.10173	1.7
223.06061	6.2
241.07091	5.0
259.08154	4.3
275.09317	2.0
276.10895	1.2
277.09146	1.4
295.10431	1.9
312.12692	1.0
491.15103	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.5
51.62304	1.6
53.03936	1.9
55.01868	2.8
55.05504	17.1
57.03425	4.6
57.07074	2.0
61.99538	1.8
65.03951	1.5
67.05499	38.2
69.07065	16.8
70.93394	5.1
71.04976	1.8
73.67120	1.8
79.05482	29.6
81.07046	35.5
83.08611	9.6
83.85534	1.7
85.06538	3.4
87.04488	4.8
91.05468	23.6
93.07029	36.5
95.04974	3.0
95.08595	31.7
97.06528	4.9
97.10171	5.0
99.08117	2.2
105.07018	29.5
107.08579	22.5
109.06539	2.4
109.10155	20.4
113.09591	1.7
117.07009	8.7
119.08571	26.3
121.06493	2.5
121.10126	17.6
123.08082	2.2
123.11726	3.7
125.09608	2.5
128.06168	1.8
129.06996	8.7
131.08546	21.0
133.10120	22.4
135.08090	2.9
135.11684	9.0
137.09659	2.9
139.11234	1.9
143.08583	9.2
145.10106	23.9
147.11649	16.2
149.09631	2.4
149.13243	5.0
155.08543	4.2
156.09227	1.7
157.10095	10.2
159.11682	18.4
161.09567	1.9
161.13254	10.3
163.14828	3.9
169.10170	5.3
171.11688	9.2
173.11852	3.8
173.13286	12.1
175.11334	1.6
175.14850	5.6
177.12852	1.7
178.54286	1.8
183.11752	5.0
185.11832	2.0
185.13226	7.8
187.14774	8.6
189.12805	2.7
189.16408	1.9
191.14383	2.6
195.11836	2.3
197.13275	5.8
199.14891	5.2
201.13094	1.7
213.14690	2.9
213.16431	4.4
215.17931	3.9
225.16481	4.1
227.17999	3.7
231.17293	2.0
239.18082	2.4
253.19518	2.1
259.20523	4.3
285.22226	4.1
287.20483	2.3
287.23752	2.5
299.23813	3.6
301.21622	2.3
313.25226	3.0
317.24881	2.8
323.23813	1.8
353.66870	2.2
369.31674	2.0
377.26913	2.9
379.29990	13.2
391.28381	9.5
397.30966	26.3
405.30087	4.2
415.32080	3.3
423.37994	1.8
471.34729	28.5
489.35831	100.0
490.36304	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.357
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03941	3.0
54.86828	1.2
55.01863	3.4
55.05501	17.9
57.03421	5.9
57.07056	1.7
65.03915	2.3
67.05498	46.3
69.03400	1.4
69.07061	17.8
71.04981	4.4
72.90491	1.1
79.05476	28.4
79.92551	1.2
81.03418	1.3
81.07046	40.1
83.04959	3.1
83.08617	9.6
85.06538	4.2
91.05466	32.6
93.07035	39.9
94.07843	1.3
95.04942	6.9
95.08593	38.2
97.06528	4.3
97.10159	4.6
98.20670	3.4
101.82247	1.3
105.07014	33.5
107.08578	23.9
107.88445	1.4
109.06521	2.1
109.10139	21.2
111.08077	2.8
115.05461	2.3
117.07009	12.4
119.08566	31.3
121.10132	18.2
123.08093	1.5
123.11716	4.8
125.09651	2.6
128.06186	1.7
129.07008	10.0
131.08549	28.1
133.10100	23.4
133.11008	1.9
135.08049	1.6
135.11668	13.0
137.09621	5.6
139.11217	1.7
141.07014	3.1
142.07819	1.8
143.08540	11.5
145.10110	19.9
145.11226	2.0
147.11668	14.8
149.09660	2.3
149.13272	6.9
155.08574	3.8
157.10147	9.7
159.11681	19.0
161.13234	11.4
163.11217	1.7
163.14787	2.9
169.10167	6.1
171.11673	10.6
173.11801	2.6
173.13196	14.7
175.11186	2.2
175.14844	5.1
177.12772	1.5
183.11720	6.1
185.13237	8.1
187.14783	7.3
189.12769	2.2
195.11644	1.6
197.13260	3.9
199.14883	5.7
201.16403	2.9
211.13210	1.9
211.14946	2.9
213.14917	4.8
213.16466	4.1
215.18063	3.2
219.17393	1.5
225.16377	2.9
227.17967	3.3
229.19467	1.6
231.17535	2.0
241.19724	1.8
243.21291	1.5
245.18971	1.9
259.20654	2.8
261.22202	2.7
269.22626	1.6
271.20639	1.8
273.22440	1.6
285.22244	4.3
287.23520	1.5
289.21622	1.7
299.23764	5.5
311.23785	1.8
313.25317	2.9
315.23334	3.2
317.24902	1.6
333.24222	1.6
335.25696	3.5
377.27222	2.8
379.29922	11.8
391.28687	6.1
397.30960	28.0
398.31299	2.2
405.30081	4.4
415.32315	7.2
471.34763	30.9
489.35873	100.0
490.36197	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03930	2.5
55.05501	20.0
57.03422	5.3
57.07045	3.1
65.03931	2.7
67.05496	62.9
69.07059	15.6
70.19222	2.7
70.19606	7.2
71.04964	2.4
71.83643	1.6
77.90102	1.7
79.05032	1.6
79.05486	29.9
81.03416	2.6
81.06592	3.3
81.07043	40.9
83.04983	2.6
83.08603	11.0
85.06534	2.3
91.05459	25.3
93.07031	33.1
94.07899	1.9
95.04942	4.6
95.08597	26.8
97.06507	4.6
97.10154	4.9
105.07018	25.5
107.08578	21.1
109.10146	27.7
111.08057	1.6
117.07010	9.2
119.08566	29.7
119.12395	1.4
119.39063	1.4
121.10125	14.7
123.11704	5.3
125.09589	2.6
129.07008	4.5
131.08546	17.2
131.26260	1.5
133.10115	19.2
135.11667	15.5
137.13232	1.7
139.11217	2.1
141.06926	2.8
143.08496	8.1
145.10120	18.4
147.11650	14.1
149.13283	5.2
155.08543	4.4
157.10139	7.0
159.11690	12.0
161.13242	5.8
163.14711	2.2
169.10124	3.9
171.11719	6.5
173.11749	7.4
173.13290	7.5
175.14841	2.9
183.11682	4.5
185.13254	5.6
187.14888	3.9
195.11661	2.3
197.13319	4.3
199.14783	3.6
211.14857	4.5
213.14827	2.1
225.16539	2.3
241.19556	1.9
259.20419	3.9
261.22067	2.1
271.20752	3.0
285.22183	4.0
296.08875	1.8
299.23871	2.4
320.53964	1.7
327.78821	1.6
377.26740	2.4
379.29852	8.6
397.30957	16.0
415.32196	3.4
433.33002	3.0
471.34796	15.5
489.35797	100.0
490.35938	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.357
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03939	2.2
55.05508	13.6
57.03423	3.8
57.07063	2.5
59.04996	1.2
65.03932	2.1
67.05495	45.4
69.07065	13.3
71.04973	3.5
79.05487	21.7
81.07045	31.1
83.04983	2.0
83.08618	7.8
85.06527	3.1
91.05473	23.2
93.07032	30.9
95.04961	3.8
95.08593	23.2
97.06536	3.5
97.10162	3.8
99.08076	2.0
101.30959	1.1
105.04524	1.2
105.07021	21.2
107.08576	17.6
109.10147	32.0
109.10867	2.4
111.08076	1.9
113.09601	1.2
117.07009	7.8
119.08559	24.9
121.10123	14.0
123.11728	1.3
125.09648	2.4
128.06223	1.3
129.07004	4.0
131.08545	17.8
133.10101	16.4
135.11647	11.1
137.09636	1.4
137.13313	1.2
139.11160	2.9
141.07037	1.9
142.07779	1.5
143.08545	4.7
145.10115	16.2
147.11676	10.6
149.09607	1.9
149.13235	5.8
155.08566	2.5
155.10686	1.8
157.10094	5.5
159.11668	12.7
161.13222	8.0
169.10150	3.5
171.11678	6.5
173.11734	4.6
173.13278	9.6
175.14821	2.7
176.24452	1.2
183.11723	3.3
183.81009	1.1
185.13210	5.5
185.91435	1.2
187.14844	4.5
189.16380	1.1
197.13287	3.4
199.14833	4.3
201.16284	1.8
211.14819	2.4
213.14731	2.5
213.16452	3.0
225.16449	1.6
225.45758	1.1
229.81854	1.3
231.17426	1.8
239.17943	1.3
245.19043	1.4
255.21086	1.6
259.20578	2.6
261.22205	3.6
267.20938	1.3
271.20605	2.0
273.22211	1.6
285.22141	3.0
299.23703	2.3
301.21304	1.5
313.25330	1.3
323.23724	1.4
327.23087	1.4
369.31476	1.3
377.26923	3.0
379.29910	11.3
391.28384	3.2
397.30945	18.4
415.32162	4.4
433.33340	2.9
471.34717	19.5
489.35782	100.0
490.36136	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3569
Annotation	Cimigenol
Peak:m/z	Relative Intensity
50.42430	0.9
53.03930	2.5
55.01865	1.9
55.05506	17.2
55.05762	1.9
57.03426	5.5
57.07064	2.6
59.04998	1.7
60.34985	0.9
61.14551	0.9
63.52051	1.2
65.03934	2.3
67.05497	60.1
69.07056	15.0
71.04980	3.2
79.05482	32.1
81.07044	42.9
83.08608	10.5
85.06522	3.0
91.05466	27.3
93.07034	41.1
95.04943	4.7
95.08595	26.9
97.06527	2.8
97.10154	3.8
99.08078	1.3
105.07019	27.9
107.08583	20.5
109.06496	1.6
109.10141	32.2
111.08080	3.0
117.06992	9.6
119.08572	30.0
119.09403	2.0
120.30972	0.9
121.10133	19.5
123.08044	2.2
123.11723	2.9
125.09625	1.7
129.06985	5.6
131.08553	19.2
133.10117	20.9
135.08089	1.2
135.11693	9.7
137.09587	2.5
139.11177	2.6
141.07005	2.2
143.08551	8.6
145.10101	19.5
145.11198	1.2
147.11673	14.8
149.09590	1.4
149.13239	5.8
155.08548	2.8
155.10690	1.0
157.10123	6.8
159.11681	14.0
161.13199	7.0
163.11151	1.4
163.14806	2.3
169.10130	3.9
171.11685	8.0
173.11740	8.1
173.13278	9.2
175.14830	3.1
177.12779	1.1
183.11696	5.0
185.13213	6.8
187.14771	4.9
189.12791	1.3
189.16391	1.8
197.13234	2.5
198.13994	1.0
199.13164	1.3
199.14854	3.7
201.16388	3.3
211.14876	3.5
213.14740	1.5
213.16476	2.3
217.15800	0.9
225.16396	1.5
231.17419	3.0
237.16196	0.9
241.17751	1.1
253.19501	1.1
255.20996	1.7
259.20438	1.1
261.22247	2.4
271.20435	1.8
273.22247	1.7
277.21759	1.0
285.22119	4.4
289.59177	1.0
291.23099	1.1
299.23816	3.2
303.23148	1.2
315.23108	1.3
327.23309	1.3
369.31638	1.2
377.26727	2.5
379.29886	8.8
391.28537	2.5
397.30984	18.1
415.32031	3.4
423.48386	0.9
433.32898	1.4
436.96469	1.1
471.34619	17.5
487.41876	0.9
489.35739	100.0
490.36069	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.05504	19.7
57.03429	5.4
57.07079	3.1
59.04998	3.4
65.03925	4.2
67.05498	86.9
69.07056	12.8
69.85776	10.4
71.04973	3.1
79.05489	33.7
81.07044	39.4
82.67822	1.7
83.04962	3.3
83.08614	12.3
85.06555	4.1
91.05469	26.9
93.07031	36.3
95.04947	2.8
95.08600	30.0
97.06521	3.9
97.10158	4.0
105.07031	25.5
107.08591	20.7
108.61473	1.7
109.10149	49.4
109.10871	3.1
111.08082	3.6
117.07007	9.9
119.08569	22.6
121.10133	16.3
123.08069	2.4
123.11671	3.0
129.07047	4.9
131.08563	17.0
133.10112	14.6
135.11658	16.0
135.12506	1.7
137.09630	4.4
139.11201	2.6
141.07001	2.2
143.08615	6.2
145.10094	14.5
147.11658	13.9
149.13313	5.5
155.08562	2.9
155.10623	2.8
157.10168	6.1
159.11682	9.3
161.13330	6.4
163.14789	2.5
169.10159	2.5
170.28510	1.8
171.11740	6.5
173.11739	9.6
173.13287	9.0
183.11726	4.3
185.13298	3.5
187.14854	4.6
197.13232	2.3
211.14941	2.4
213.14806	3.1
243.10217	1.9
259.20541	2.2
261.22110	2.0
277.18246	1.9
285.22131	2.4
299.23874	2.4
379.30167	6.2
397.31030	11.3
403.36536	1.7
415.32053	4.4
454.73190	2.0
471.34848	10.9
489.35904	100.0
490.35928	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23278	2.4
53.03936	4.2
55.01864	3.0
55.05513	23.7
57.03431	8.6
57.07066	13.9
58.06584	3.7
61.02921	4.4
67.05500	99.2
69.03416	5.3
69.07059	25.0
70.25766	4.6
70.26184	8.4
71.04960	4.2
71.08625	6.5
73.02897	3.1
73.35214	2.5
79.05482	35.7
81.03387	4.8
81.07050	100.0
83.04961	3.8
83.08622	13.4
85.02888	3.7
85.06512	6.2
85.10183	4.5
91.03963	4.0
91.05467	36.2
93.07037	35.9
95.04958	4.7
95.08601	79.3
97.02883	4.7
97.06528	10.3
97.10161	9.3
98.20924	6.9
98.21522	3.1
99.08067	7.7
105.07020	22.1
107.08604	21.9
109.06482	4.2
109.10149	43.1
111.08055	6.0
111.11699	3.6
113.09640	5.1
119.08572	18.6
121.10120	24.2
123.11712	19.4
127.11188	6.6
129.07014	3.7
131.08522	6.9
133.06451	3.2
133.10120	23.7
135.11671	20.3
137.09628	8.2
137.13248	16.4
139.11101	3.9
145.10054	4.1
147.11652	14.7
149.09528	3.2
149.13213	5.3
151.11200	4.5
151.14812	10.0
159.11707	5.5
161.13234	15.9
165.09102	32.8
175.14807	7.4
189.16287	2.9
205.12216	7.6
217.19502	59.6
235.20552	48.8
240.18298	3.0
309.24216	37.7
471.29361	4.2
489.35913	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60419	4.1
55.01859	10.0
55.05500	28.0
57.03434	24.6
57.07049	10.4
61.02920	53.6
65.03930	7.7
67.05495	82.5
68.65323	4.0
69.03425	29.3
69.07064	42.7
71.04970	5.3
71.08591	8.6
71.74673	5.5
73.02907	23.8
79.05486	30.6
81.03411	22.1
81.07048	100.0
83.04974	13.1
83.08624	26.5
83.42368	4.1
85.02899	62.4
85.06518	7.6
91.03949	26.9
91.05473	46.5
93.07035	42.9
95.04961	10.2
95.08604	98.4
97.02885	43.1
97.06528	14.3
97.10156	10.2
99.04433	7.5
99.08071	7.7
101.02366	11.6
103.03909	12.9
105.07021	30.6
107.04921	7.3
107.08562	31.4
109.02843	6.8
109.06502	9.7
109.10126	36.3
111.11697	5.5
115.03951	6.2
117.07018	4.9
119.08592	28.5
119.09283	5.0
121.10123	29.2
123.08039	6.2
123.11687	13.9
125.09589	7.6
127.03881	13.8
129.05486	11.6
131.08537	12.5
133.10091	22.0
135.11678	20.1
137.09543	7.4
137.13240	17.0
143.00026	5.1
145.04964	9.3
145.10112	9.1
147.11681	12.3
149.09596	5.6
149.13243	13.0
150.13651	6.2
151.11229	4.7
151.14751	14.3
157.10110	5.2
161.13260	9.8
165.09117	16.8
165.12646	5.6
175.14789	8.0
187.11081	5.8
190.16818	4.8
217.19504	41.3
235.20573	51.6
291.26151	4.4
309.24265	48.9
327.25244	32.0
418.27878	5.1
453.28192	7.6
458.91928	5.2
489.30695	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.8
56.05027	3.2
57.05817	0.5
69.07056	7.6
71.18995	1.1
71.50815	0.4
72.08150	9.6
84.04493	40.6
85.02914	2.3
86.09693	100.0
87.10027	1.4
102.05526	27.1
107.09769	0.4
118.08629	4.6
122.06021	2.4
129.06575	5.8
130.04980	1.5
150.05511	1.1
164.87581	0.4
167.08151	8.4
168.06548	4.1
185.16464	1.0
186.07634	1.2
195.07623	7.1
196.06128	0.8
197.12846	1.3
213.08691	5.2
215.14021	1.4
223.07005	0.5
231.09732	14.0
231.17009	19.0
241.08171	8.9
241.10533	0.6
243.13461	0.8
259.09219	26.7
308.15967	0.7
326.17081	5.5
354.16602	4.8
355.81421	0.5
372.17639	2.7
395.91202	0.4
433.33173	0.4
471.24707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	31.9
57.03426	13.6
61.02902	13.9
67.05486	50.3
69.00968	7.2
69.07045	37.9
71.05009	8.0
71.74686	7.4
71.75056	9.3
73.02892	11.8
79.05495	26.4
81.03433	11.0
81.07038	100.0
83.08615	21.5
85.02902	25.5
91.05463	38.9
93.07041	64.5
95.08603	86.4
97.02881	16.4
97.06534	9.0
97.10164	14.9
98.98472	10.1
105.06996	17.9
107.08580	63.4
109.10142	69.1
119.08560	17.6
121.10132	61.0
123.11730	34.7
131.08534	10.9
133.10129	10.2
135.11678	30.9
137.13235	14.7
145.10243	8.5
149.13254	79.7
155.01041	8.6
175.68614	7.7
187.32388	7.3
205.19537	56.1
217.19522	9.8
243.40848	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.01848	0.4
55.05503	0.2
56.07005	0.2
57.03424	0.2
57.07066	1.3
61.02902	0.3
64.06186	0.1
65.03934	0.7
67.05493	0.2
68.99747	0.3
69.03410	1.1
69.70296	0.4
69.70707	0.7
71.04984	0.2
73.02895	0.4
81.03407	1.6
81.07027	0.3
85.02896	2.7
87.00813	1.6
93.03373	0.4
97.02869	1.2
99.04443	0.5
105.01856	0.6
108.04440	0.4
109.02892	1.1
117.01835	0.4
121.02864	2.7
121.03826	0.2
126.05486	0.3
127.03902	1.7
145.04935	0.5
149.02321	100.0
150.02663	1.5
159.02885	0.5
161.09528	0.2
164.41864	0.1
167.03415	1.6
190.05003	0.5
205.08595	3.4
223.09625	11.8
224.10005	0.2
231.04874	0.4
342.13626	0.2
355.19388	0.2
488.17838	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3415
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
51.02381	2.3
53.03933	5.0
55.01862	4.9
55.05506	26.2
57.03434	7.2
57.07057	3.6
57.27516	1.1
65.03927	2.8
67.05499	62.3
67.37151	1.1
69.07056	17.3
70.46114	3.6
71.01344	3.0
71.04985	4.6
77.74493	1.2
79.05487	79.8
81.03408	5.1
81.07049	46.0
82.06239	1.4
83.04971	9.6
83.08622	7.6
85.06519	3.3
85.63559	1.2
91.05470	34.6
93.07036	84.9
93.28074	1.2
95.04973	10.7
95.08604	22.3
97.06534	12.0
97.10177	8.6
99.08091	3.2
100.44536	1.3
103.05489	1.3
105.04512	1.8
105.07026	22.0
107.04924	3.2
107.07895	2.6
107.08583	31.3
109.06525	2.9
109.10142	11.4
111.08051	2.2
111.11681	1.4
117.07009	11.4
119.08566	16.3
121.10134	36.2
121.10968	2.5
123.11673	2.7
125.09611	3.5
129.06993	4.4
130.07732	2.9
131.08553	12.0
131.89293	1.4
133.10129	15.0
135.08078	1.5
135.11684	42.8
141.07002	2.4
143.08521	7.0
145.10097	17.0
147.11684	4.2
149.13260	1.8
153.12732	5.7
155.08549	2.5
157.10115	4.4
159.11707	9.2
161.13206	2.2
163.11107	6.8
169.10173	3.5
171.11703	5.5
173.13254	4.4
175.14876	1.3
181.10231	1.0
181.10741	1.3
181.12202	7.7
183.11740	3.5
185.13268	3.5
187.14821	2.2
195.11653	2.1
197.13309	2.3
199.14859	2.0
200.05800	1.1
215.17879	4.6
222.07466	1.4
233.18886	1.9
255.15962	2.8
257.73941	1.1
271.20529	1.4
284.30127	1.3
297.22003	1.3
310.24872	1.4
330.21005	1.2
341.86642	1.3
377.28366	2.4
395.29395	8.0
413.30426	3.4
469.32993	4.0
487.34180	100.0
488.34418	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3415
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
53.03930	9.3
53.38658	2.5
55.01856	2.6
55.05505	23.5
57.03422	4.3
61.49318	2.8
65.03938	3.3
67.05498	63.3
69.07062	15.6
71.04975	2.8
71.55435	5.1
71.71603	2.7
79.05489	93.2
81.03417	5.0
81.07047	35.7
83.04969	9.9
83.08604	5.9
85.06533	5.5
91.04984	3.5
91.05476	39.2
93.07034	82.8
95.04958	12.6
95.08595	17.5
97.06520	7.4
97.10146	4.8
99.08047	6.7
105.07042	20.5
107.08586	30.1
109.10133	4.5
117.06979	9.5
119.08564	14.5
120.00577	2.7
121.10130	35.2
129.06987	3.0
131.08522	10.1
133.10088	7.6
135.11673	49.2
143.08546	4.2
145.10072	11.8
147.11732	5.5
159.11661	8.4
163.11244	4.2
165.46785	2.6
173.13252	3.6
181.12270	6.9
303.88370	3.2
362.75745	2.8
395.29337	5.6
469.32886	4.0
487.34802	100.0
488.34702	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.3
55.05506	17.3
57.03439	11.1
59.26582	5.5
61.02909	7.6
65.03956	5.6
67.05495	64.2
69.07059	26.4
71.06074	17.0
72.61294	6.0
75.04478	6.1
79.05483	47.4
81.03440	12.2
81.07057	56.5
83.04969	10.7
83.08607	9.9
85.02869	6.2
91.05465	47.4
93.07042	49.0
95.04961	11.8
95.08603	48.3
97.06501	7.1
97.10159	7.2
99.08127	5.9
105.07024	48.6
107.08592	37.0
109.02972	7.4
109.10132	38.4
117.07030	27.8
119.08545	36.9
121.10149	35.9
123.11723	8.9
129.06985	14.4
131.08542	31.6
133.10120	20.4
135.11702	31.0
137.09593	10.3
143.08560	19.9
145.10075	40.6
147.11725	15.3
149.13220	12.5
155.08539	8.4
157.10135	16.3
159.11644	31.6
159.47433	6.8
161.13211	8.8
171.11673	16.9
173.09550	7.0
173.13303	13.4
185.13232	8.8
187.14853	8.4
189.16389	6.5
199.14769	12.4
205.47594	5.9
209.13249	9.8
215.17932	17.6
233.19054	15.8
307.22635	7.7
377.27994	6.9
395.29202	15.6
441.33597	6.4
469.33423	11.5
487.34363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49849	3.2
52.94709	3.5
53.03932	7.0
55.01854	4.9
55.05504	27.1
57.03421	11.3
57.07056	4.0
61.02902	8.3
65.03902	3.2
67.05499	100.0
69.03406	7.7
69.07054	16.3
69.53922	32.0
71.04981	5.5
72.08145	8.3
73.02895	5.4
74.09695	9.3
79.05487	77.7
81.03393	6.3
81.06602	5.6
81.07047	89.6
83.08594	14.6
85.02883	9.0
85.06526	8.4
91.03936	7.2
91.05467	46.4
93.06499	6.3
93.07030	79.5
95.04954	8.9
95.08590	62.9
97.02876	7.3
97.06522	5.0
99.08076	8.2
103.03903	3.9
105.07005	38.8
107.04919	4.1
107.08579	51.2
109.06494	9.6
109.10137	34.3
111.08038	5.3
117.07009	21.0
119.08588	22.7
121.06516	5.1
121.10128	60.8
123.11664	18.7
127.03947	4.8
129.05440	4.4
129.06960	5.7
131.08539	33.0
133.10109	34.0
135.11681	49.7
137.13217	4.2
139.11179	3.6
141.06964	3.5
143.08516	8.1
145.10103	30.6
145.20798	3.4
147.11711	19.3
149.09564	7.6
149.13226	28.1
151.11182	3.9
157.10104	4.5
159.11691	26.8
161.13210	9.6
163.11113	7.2
171.11653	8.3
173.13232	30.3
175.14856	4.6
187.14793	5.3
189.12784	4.2
189.16360	3.8
205.19467	6.6
208.73213	3.5
215.17917	64.7
233.18968	58.7
251.20015	4.8
307.22604	28.9
325.23743	12.4
446.74957	3.5
469.27518	6.7
487.34320	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
55.05489	2.2
56.96549	3.0
57.40820	1.5
66.58500	1.6
67.05486	5.2
69.03412	3.0
69.07043	3.3
71.74534	2.4
79.05473	4.8
81.07037	7.9
83.04967	4.0
83.08624	3.9
84.96043	1.5
85.02885	3.8
86.09686	4.8
91.05455	3.2
93.07018	5.3
95.08607	6.3
97.02901	2.0
97.06505	9.2
98.97524	2.8
105.01835	1.7
105.07022	3.8
107.08585	6.0
109.02859	4.3
109.06488	2.7
109.10143	4.7
111.04444	1.9
116.98602	4.5
119.08575	3.1
121.06412	2.2
121.10137	4.0
127.03903	3.0
128.98602	2.8
133.10107	2.1
135.11659	3.5
137.09604	3.7
143.55873	1.7
146.99644	2.9
147.11681	2.0
165.09099	5.7
166.07172	2.1
175.11122	1.7
203.02394	1.7
214.18004	2.0
237.02831	2.1
239.19954	2.3
249.02950	2.8
259.09573	2.4
267.07849	3.1
308.43845	1.9
345.86346	1.8
349.05292	3.4
350.71597	1.8
355.14240	4.0
361.26801	1.8
398.92145	2.1
487.19305	100.0
488.19473	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15048	2.1
54.85759	2.4
55.05487	6.5
57.03418	7.9
57.07067	29.6
66.76420	2.4
67.05491	10.0
67.80562	2.4
69.07056	8.0
69.55894	7.5
69.56322	15.5
70.43775	3.1
71.08621	22.4
71.46169	2.1
79.05488	2.8
81.07039	12.6
83.08614	2.8
85.10163	12.6
89.06001	7.6
91.05468	5.4
93.07027	5.0
95.08580	10.2
98.98460	14.1
105.06998	3.8
109.10139	7.1
119.08520	2.8
121.06474	5.7
133.08582	5.4
133.10158	3.7
143.08548	4.5
155.01006	9.9
165.09044	2.7
291.61951	2.7
313.27313	100.0
314.27686	3.8
449.26233	4.4
485.32611	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
61.45278	1.4
62.08295	1.6
62.18915	1.4
64.07845	1.4
67.05478	1.6
69.73132	1.5
70.06582	4.8
71.04964	1.7
71.44425	2.9
71.88181	1.7
72.08133	2.5
79.05491	2.9
80.81204	1.6
81.03406	100.0
83.04967	2.5
85.02921	2.2
86.09671	3.3
91.05457	6.3
93.07034	4.8
95.08608	3.0
97.02872	1.8
104.10746	2.8
119.08567	14.4
121.06480	4.5
123.08034	2.0
136.95468	1.4
137.09596	13.3
140.62936	1.6
147.08052	6.3
165.09097	54.3
183.10185	3.1
231.10361	1.9
239.12759	27.6
257.13815	45.6
281.13806	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.2
57.03416	5.6
57.07077	21.8
57.41233	1.4
64.64643	1.5
67.05492	5.8
69.07065	4.6
69.90651	1.4
70.79861	4.5
70.80226	1.5
71.08625	17.4
79.05484	5.3
81.07027	10.2
81.45214	1.6
83.08603	5.6
85.10172	7.6
85.74549	1.7
87.04466	2.2
91.05479	7.8
93.07021	3.5
95.08604	12.6
96.92885	1.7
97.10189	3.5
98.98454	20.8
105.07018	23.7
107.08583	3.1
109.10154	6.3
121.10108	1.9
123.08097	2.2
123.11720	2.9
133.10126	16.7
135.11630	1.7
143.08575	2.7
155.01001	12.5
173.02213	3.5
181.90530	1.7
183.20253	1.5
189.63277	1.9
194.22165	1.5
239.23569	2.5
298.91275	1.6
313.27344	100.0
314.27597	2.1
449.26410	7.0
485.32550	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.7
57.03421	5.0
57.43758	4.3
57.98699	5.0
61.02916	13.0
66.57956	5.2
67.05508	22.5
69.03420	12.4
69.07052	12.6
70.10849	26.7
71.04986	5.3
71.08615	8.4
79.05489	28.3
81.03423	9.0
81.07041	28.8
83.08603	6.1
85.02900	19.9
91.03944	9.9
91.05483	35.4
93.07022	40.2
95.04946	7.4
95.08586	14.5
97.02914	10.1
97.06512	11.5
99.08094	8.9
103.91456	4.3
105.07012	34.2
107.08575	27.8
109.06490	8.7
109.10133	8.3
117.06995	12.4
119.08569	35.8
121.10149	27.4
127.49828	4.6
129.07018	10.9
131.08527	24.6
133.10107	57.6
135.11670	21.9
143.06950	5.3
143.08559	14.1
145.10110	28.4
147.11658	42.1
149.09575	6.7
151.11168	8.3
157.10165	11.6
159.11694	14.5
171.11676	17.9
173.13286	5.2
174.84827	4.8
185.13100	6.6
189.12691	6.1
189.16386	11.8
203.17932	11.1
209.13272	5.2
212.10271	5.5
213.16374	39.1
231.17430	64.6
249.18384	9.9
305.21194	12.6
321.20782	8.9
323.22174	100.0
347.22321	5.0
385.83521	4.5
413.23218	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
55.01863	3.4
55.05497	14.9
57.03437	10.6
61.02909	25.6
62.30428	3.2
67.05495	38.1
69.03417	10.0
69.07066	14.3
69.65213	31.0
71.04958	5.4
73.02914	8.9
76.33372	3.8
79.05483	36.3
81.03419	9.7
81.07043	37.6
83.05017	4.0
83.08612	9.4
85.02908	31.5
85.06555	7.9
91.03938	11.8
91.05467	41.8
93.07045	59.2
95.04964	9.7
95.08588	26.3
97.02886	10.5
97.06501	8.1
99.08101	5.6
105.07039	52.4
107.08584	33.5
109.06503	6.7
109.10150	12.0
117.07019	15.1
119.08579	49.7
121.10136	35.3
123.08097	6.3
127.03918	5.8
129.05467	8.0
129.06985	11.7
131.08577	28.7
133.10121	75.5
135.11662	33.7
136.14995	3.9
142.07788	4.5
143.08546	13.4
145.10091	31.3
147.11682	60.2
149.09595	9.4
149.13211	6.6
155.08585	4.1
157.10114	16.4
159.11713	20.0
161.13229	7.4
163.11234	4.6
171.11720	24.5
173.13307	11.2
183.11591	5.1
185.13257	8.0
187.14847	6.8
189.12723	4.8
189.16357	16.7
201.16426	5.1
203.14432	5.5
203.17947	16.4
213.16373	58.7
231.17412	74.6
249.18512	14.2
305.21130	13.4
321.20706	5.3
323.22128	100.0
324.22781	4.8
347.22318	6.2
413.23410	7.2
431.24261	4.5
450.78488	3.9
467.26367	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76829	4.2
53.03935	13.0
55.01856	11.0
55.05500	23.6
56.96552	5.4
57.03426	9.6
61.02920	13.3
66.39530	4.3
67.05498	33.1
67.49911	4.2
67.93658	4.6
68.99779	7.4
69.03421	51.1
69.07047	19.5
70.06578	12.0
71.04982	35.4
71.74772	5.9
73.02912	6.0
79.05478	37.9
81.03394	60.3
81.07044	84.7
83.04968	22.9
83.08606	7.4
84.04440	5.8
84.31298	4.3
85.02888	80.2
86.09695	13.7
87.00819	32.0
91.05446	28.2
93.07027	62.9
95.04951	19.4
95.08598	53.6
97.02869	28.3
97.06508	40.6
98.97574	7.1
99.04436	16.1
99.08073	9.2
99.46323	4.3
100.11250	5.6
103.68813	5.9
105.01870	17.6
105.07014	98.7
107.08595	44.4
109.01582	4.3
109.02875	42.5
109.06522	14.7
109.10139	58.7
111.04438	8.7
111.08097	5.4
115.03929	5.3
117.01929	4.6
117.07003	8.8
119.08568	63.9
120.08095	6.5
121.02668	7.6
121.06510	7.6
121.10133	52.9
123.04380	5.5
123.08060	19.3
123.11687	32.7
125.09620	18.2
127.03900	59.9
127.07571	10.3
127.11195	10.3
129.01877	7.8
131.08589	22.4
133.10115	85.5
135.08017	5.9
135.11716	21.6
137.06023	5.6
137.09622	24.7
137.43144	4.1
139.11185	4.5
143.08524	7.6
143.10652	14.6
145.04938	13.3
145.10114	36.6
147.00572	7.2
147.02890	8.6
147.08043	5.0
147.11658	100.0
149.09567	8.6
149.13309	10.1
151.11198	11.0
153.12750	7.2
155.10611	5.1
157.10123	7.5
159.02876	14.6
159.11681	44.0
161.06018	5.5
161.13220	15.5
163.03908	10.1
163.11147	12.2
167.10774	5.6
171.11714	9.3
173.04506	5.4
173.13246	7.9
175.14771	9.5
177.00792	5.5
191.17860	6.9
193.15855	6.8
201.16357	32.0
203.18015	9.0
215.07053	20.5
219.17426	86.3
227.01604	61.8
228.01750	4.5
231.04987	9.9
233.12001	5.2
237.18437	26.3
249.11168	5.7
258.31677	4.1
259.09750	16.0
268.10635	6.2
299.08850	14.9
433.85367	4.9
485.10394	14.8
485.19614	59.8
485.30490	16.2
490.83658	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55029	2.2
56.45300	1.9
63.68672	1.8
64.52923	2.1
71.73388	2.8
82.43974	1.7
98.97560	5.3
116.98597	6.0
134.99629	5.5
177.00850	2.5
192.98674	3.0
194.98524	3.3
216.98775	3.8
219.01964	5.0
232.96721	4.4
234.96449	7.6
234.99942	7.4
235.99944	4.4
236.99681	9.6
250.97742	5.7
251.97806	2.9
252.97508	11.6
253.00960	2.5
256.96683	4.9
257.96838	3.1
258.96600	9.7
258.99915	21.3
259.99988	6.0
260.99774	18.1
261.03055	9.7
274.97723	24.7
275.97940	10.5
276.97528	40.4
277.00980	31.2
277.54047	2.6
277.98022	2.8
278.01056	11.2
279.00726	20.4
282.96799	4.0
282.99954	39.5
283.99979	11.3
284.99762	35.5
285.99969	3.0
292.98721	3.7
294.98529	7.6
295.98456	2.4
298.97626	17.9
299.97824	5.9
300.97531	32.2
301.01022	64.2
302.01083	22.1
303.00815	61.1
304.01068	8.7
305.00827	2.7
316.95612	3.9
316.98795	32.9
317.98843	18.8
318.98581	65.9
319.98865	4.0
321.02023	4.5
324.02612	4.3
330.10172	2.3
336.99698	3.9
341.99979	3.8
358.96646	2.7
359.00391	3.1
360.00357	3.6
360.99902	13.4
361.99631	3.5
377.97745	3.2
385.00061	4.1
395.51968	3.1
396.54681	2.0
401.01578	3.1
402.01151	7.0
403.00967	21.9
404.00873	7.9
407.00354	2.6
409.00009	3.6
418.98816	10.1
419.99197	2.6
420.49799	2.3
425.02026	13.5
427.00919	18.0
428.00674	2.8
429.00925	2.8
442.00076	6.8
442.98691	55.4
443.02713	20.6
444.02051	7.9
445.02087	56.1
445.48801	2.1
446.01907	7.3
447.01782	4.3
455.50320	2.6
459.00314	2.8
460.00912	6.0
460.99701	100.0
461.99857	8.1
466.03970	5.6
466.99084	3.2
468.03253	6.4
469.03680	2.4
479.00027	2.1
484.01443	10.7
485.01337	49.0
486.00281	4.3
503.03152	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.3
57.03423	0.8
57.07069	29.5
60.00867	0.7
60.58722	0.7
67.05499	2.5
69.07052	2.7
71.08237	1.5
71.08624	29.9
71.74897	0.9
73.06543	7.0
74.06047	0.7
79.05476	2.3
81.07049	3.2
83.08610	4.8
85.10171	27.4
87.04463	3.6
89.06020	100.0
91.05483	1.6
91.07560	1.3
93.07014	1.7
95.08573	1.6
97.10158	1.4
99.11713	3.9
105.07034	1.8
107.07067	3.5
107.08577	1.2
109.10127	1.0
117.06998	1.3
117.09133	4.5
119.08585	2.0
120.21089	0.8
129.07030	0.7
130.08618	3.9
131.06989	1.4
133.08589	47.7
133.10158	1.3
135.11711	0.8
141.16371	4.9
145.10149	2.0
157.10133	1.1
159.11697	1.1
169.10190	1.2
171.11685	1.8
177.11205	19.3
180.87016	0.7
180.94534	0.9
183.11670	1.2
185.13120	0.7
185.18983	6.3
221.13741	3.5
226.21745	2.2
229.21556	8.6
239.14906	2.2
273.24173	5.7
283.17407	1.8
312.26086	3.5
327.20148	10.1
375.26526	0.8
379.30762	1.6
393.28003	1.5
467.35989	12.0
485.32520	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24828	0.7
50.41723	0.7
55.01857	3.4
55.05492	1.7
57.03424	6.9
59.04980	2.4
61.02924	3.6
67.05504	1.8
69.03420	9.5
69.07054	5.5
70.18188	1.4
70.18601	2.0
71.01349	0.8
71.08621	47.2
73.02910	18.2
80.69875	0.6
81.03400	2.5
81.07044	1.3
85.02896	23.1
87.04475	1.2
93.07023	0.8
95.08610	0.8
97.02878	17.3
97.06503	1.5
99.04464	1.2
99.08081	100.0
109.02862	2.3
109.10139	1.1
115.03914	6.4
119.08583	0.9
120.32151	0.8
127.03890	7.6
129.12732	11.5
129.13663	1.0
133.04941	5.6
145.04932	9.3
155.14281	2.3
163.06010	2.2
165.09097	0.8
167.67467	0.7
173.02547	0.8
173.15353	70.5
174.15738	1.3
216.07417	1.0
217.06953	0.7
223.06070	1.6
241.07106	1.2
255.09535	0.7
259.08234	1.4
295.33273	0.8
376.33606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	19.7
55.84386	2.4
57.03420	10.5
57.07050	5.9
67.05494	4.4
69.07066	20.2
71.00225	7.9
71.08617	4.7
71.37300	2.5
72.17288	2.5
81.07045	6.8
83.08607	16.2
85.10212	2.9
93.07011	4.2
97.10151	13.4
98.98424	14.0
111.11681	4.1
135.11681	3.3
136.10905	2.5
155.01053	6.1
244.29025	3.3
267.26093	3.3
292.70343	2.7
311.25739	100.0
447.25226	3.8
487.82587	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.7
53.03936	8.6
55.01871	15.4
55.05501	21.0
57.03432	29.9
57.07050	3.8
57.74470	2.8
59.04990	4.2
61.02909	10.3
67.05499	60.2
69.03419	39.1
69.07060	28.8
70.06598	2.7
71.01352	6.8
71.04993	14.1
71.74564	3.8
73.02913	8.0
79.05483	66.6
81.02940	3.0
81.03410	67.7
81.07047	83.3
83.04966	20.9
83.08624	8.9
85.02899	35.6
85.06522	2.9
85.07654	5.0
91.03963	3.5
91.05477	63.5
93.07034	59.6
95.04958	20.8
95.08593	45.0
97.02886	28.7
97.06523	20.9
97.10165	2.7
99.04429	10.9
99.08077	5.8
103.03948	7.0
105.07014	37.4
107.04937	11.8
107.08578	34.5
109.02877	12.9
109.06503	18.1
109.10157	19.1
111.04435	8.2
111.08072	6.7
117.06995	22.9
119.08559	43.4
121.06493	5.8
121.10136	27.2
123.04413	3.5
123.08028	15.0
123.11736	4.9
125.05949	4.0
125.09617	7.1
127.03896	18.8
129.05479	8.4
129.06999	10.9
131.04916	4.0
131.08557	31.5
133.06500	5.2
133.10114	17.7
135.04364	3.2
135.08061	19.5
135.11703	12.8
137.05991	4.0
137.09631	19.1
139.11186	5.1
141.06992	4.2
143.07007	4.8
143.08549	9.2
145.04959	4.3
145.06479	4.6
145.10106	28.2
147.08034	8.6
147.11684	9.4
149.09592	24.7
151.07573	8.6
151.11156	5.6
153.09085	3.9
155.08551	8.6
157.10132	6.4
159.08012	5.0
159.10197	3.6
159.11656	12.1
161.09633	6.2
163.07510	3.0
163.11171	7.7
165.09117	10.7
167.10649	10.2
169.10086	9.2
171.07973	2.7
171.11719	5.7
173.04472	12.9
173.09608	4.6
173.13185	4.7
175.11177	6.2
177.09032	4.4
183.10118	5.5
183.11690	4.0
185.09644	3.6
185.11752	3.6
185.13245	4.5
187.11214	4.9
187.14847	5.8
189.12715	5.8
191.10730	3.0
193.12207	3.3
199.09589	3.2
201.11099	2.8
201.16344	12.0
211.13092	4.4
211.14883	10.1
219.17432	2.8
227.12672	4.4
229.15935	19.5
239.12773	5.4
247.16942	40.7
255.12288	3.8
259.09424	3.4
265.17947	7.8
311.15018	2.7
315.11581	3.0
321.20569	38.9
339.21545	3.0
363.21695	2.9
385.18530	7.4
423.61713	2.8
439.23279	12.9
447.23691	5.6
448.23938	2.7
465.24509	9.0
483.21091	100.0
484.22006	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.9
55.01871	20.1
55.05510	30.0
57.03432	37.3
57.07076	5.4
61.02906	10.1
61.30117	3.8
65.03926	4.5
67.05502	71.6
69.03423	45.2
69.07063	28.2
69.51404	5.9
69.51814	28.4
71.01328	8.2
71.04989	9.1
73.02909	6.7
74.57046	3.3
77.03927	4.1
79.05486	88.9
81.03409	76.7
81.07051	100.0
83.04958	28.9
83.08611	17.0
84.08152	4.6
85.02900	38.3
85.06536	6.2
87.04459	3.2
91.05478	90.2
93.07038	72.6
95.04960	28.2
95.08597	65.7
97.02876	31.8
97.06516	24.9
97.10143	5.8
98.07308	5.0
99.04433	8.4
99.08074	6.4
100.11268	3.2
100.16783	3.3
103.03957	6.0
105.07021	48.4
107.04951	14.0
107.08575	32.4
109.02858	13.8
109.06503	27.0
109.10152	33.0
111.04429	9.9
111.08083	8.3
115.05466	4.7
117.07024	19.6
119.08571	69.9
121.06493	10.8
121.10109	25.9
123.08053	21.9
125.09615	9.7
127.03922	22.1
128.06195	5.0
129.05481	5.9
129.07002	10.8
131.08551	33.6
133.06467	6.6
133.10132	29.6
135.08058	25.0
135.11664	11.0
136.08746	3.8
137.09602	29.3
141.06950	8.4
142.07806	3.5
143.07198	3.1
143.08543	12.4
145.10123	32.7
147.07996	9.6
147.11700	12.4
149.09593	24.5
151.07542	4.7
151.11130	5.0
153.09108	7.1
155.08521	5.3
157.10162	12.5
159.08092	4.8
159.11659	14.2
161.09651	7.9
163.11140	9.9
165.09119	13.1
167.10672	5.7
169.10126	7.6
171.11676	7.9
173.04504	8.5
173.09663	5.8
175.11195	8.1
181.08504	4.9
183.10095	5.7
183.11641	5.1
185.13304	4.0
187.14755	5.0
193.12183	6.8
201.16382	10.8
211.14893	8.9
213.16292	4.0
219.17377	7.4
229.15921	18.8
247.16946	31.8
255.12239	4.2
265.17859	5.2
293.21228	4.0
298.72055	4.1
303.19458	6.4
321.20554	50.6
370.36270	3.5
383.79456	3.5
385.18518	5.5
394.71628	3.9
465.24680	7.1
483.25919	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70701	2.4
55.01870	4.2
55.05510	4.0
57.03422	7.2
58.46537	2.3
61.16999	2.4
67.05478	6.7
69.03436	2.9
69.07050	16.0
70.87605	6.1
79.05486	17.3
81.07040	5.4
82.62599	2.2
83.04987	3.3
91.05384	2.1
93.07007	3.3
95.04925	2.9
97.05938	3.9
97.06522	54.5
111.08036	5.2
125.55463	2.1
129.06931	2.9
129.09091	4.8
132.49883	2.6
133.02832	4.1
135.04407	4.8
145.02777	5.7
159.04404	6.1
161.02318	12.2
163.03897	36.7
173.02330	86.0
177.05452	4.8
185.06046	6.3
191.03374	6.8
195.08022	2.9
215.07013	76.4
223.07663	3.2
233.08174	4.6
241.08600	38.4
259.06845	2.9
259.09622	60.6
273.11182	100.0
291.11975	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01857	2.7
55.05492	2.8
57.03418	5.3
57.14483	0.9
63.02393	0.8
63.80494	0.8
64.72823	0.7
66.81046	0.9
67.05486	3.6
69.03389	1.1
69.07057	13.5
70.07432	0.9
70.82503	2.9
71.04967	1.2
79.05482	14.6
80.36028	0.8
81.03397	2.2
81.07024	5.2
83.04972	1.3
85.02908	1.4
85.06528	1.1
89.03867	1.7
91.05451	3.5
93.07023	3.2
95.04950	1.9
95.08576	1.9
97.06516	34.2
105.03374	1.4
105.06990	1.3
107.08569	1.3
111.08089	5.1
112.08834	2.5
117.03416	1.3
117.06991	0.9
119.08576	1.6
123.04469	1.0
129.06990	0.9
129.09161	2.0
131.08521	1.2
133.02785	4.5
135.04407	3.8
135.08009	1.9
145.02829	3.6
145.10109	1.0
147.04294	2.2
159.04410	4.1
161.02310	9.8
162.03079	3.2
163.03879	26.9
167.08499	0.9
169.06487	1.0
173.02324	96.6
174.02631	1.6
177.03278	1.0
177.05429	9.2
182.51091	1.0
185.06009	4.2
187.03954	2.0
187.07536	1.5
191.03357	11.9
195.07994	2.7
199.03854	1.4
213.09070	2.2
215.07004	88.9
216.07414	2.0
223.07458	1.2
233.08092	4.0
241.08565	26.8
259.06796	1.6
259.09631	47.6
273.11176	100.0
274.11490	2.5
276.86322	1.0
291.12219	4.3
383.42480	0.9
407.13388	1.1
483.25595	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
55.05489	2.0
57.03419	2.8
57.13616	1.0
59.04988	1.0
61.02922	2.4
65.03925	1.3
67.05486	3.7
69.03441	1.1
69.07057	18.7
71.04983	1.5
71.48218	1.1
77.51948	1.0
79.05478	10.7
81.03394	1.3
81.07041	4.3
85.02883	1.5
85.06528	2.1
89.03910	2.5
91.05444	2.2
93.07025	2.1
95.04950	1.5
95.08582	2.1
97.06512	79.8
105.06991	2.2
107.04896	1.4
109.10159	1.1
111.08114	1.3
117.03362	3.9
117.06998	1.0
119.08569	3.1
129.09106	2.9
131.08543	1.8
133.02872	2.6
133.10074	2.9
135.04407	7.5
145.02821	6.5
145.10133	1.5
147.11729	1.1
157.06540	1.0
159.04405	7.0
159.11684	2.0
161.02310	24.5
163.03874	57.8
169.06479	0.9
173.02316	51.5
173.09575	1.2
177.05498	1.1
185.05986	3.3
187.07513	1.3
187.14803	3.0
191.03366	6.9
213.09189	1.1
215.06996	87.1
215.14270	1.4
216.07416	1.6
233.08093	2.9
238.00105	1.1
241.08565	17.4
259.06851	1.7
259.09619	33.5
267.89923	0.9
273.11169	16.7
291.12219	100.0
292.12613	2.5
307.19116	1.3
498.85025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90974	1.1
56.05055	0.9
57.02404	0.9
58.99853	1.4
69.03384	1.0
69.09244	0.9
70.48617	3.9
77.00904	1.0
82.99851	1.9
94.99828	1.5
97.02879	2.1
98.97524	1.1
101.00856	6.8
101.69939	0.8
105.00367	0.8
109.02876	1.0
113.00870	1.5
119.01907	25.8
127.02452	1.3
130.81761	0.8
131.01906	14.3
133.03477	2.1
137.02936	3.7
143.01874	17.0
145.03442	12.8
147.01372	1.9
149.02942	4.4
152.05661	1.4
153.95078	0.9
155.01871	18.4
157.03468	5.5
159.01422	1.4
161.02953	21.9
162.03119	1.2
163.04465	1.4
165.00591	0.8
167.01868	7.6
169.03458	3.3
171.05014	3.0
173.02942	45.1
174.03160	1.2
175.04488	2.6
177.02420	5.4
179.01875	2.2
181.03429	1.4
183.01373	1.5
183.05002	1.1
184.04552	1.1
185.02940	42.0
187.04428	4.2
191.04021	3.6
195.03517	1.4
196.04597	1.4
197.02962	17.4
199.04543	1.2
201.02428	40.8
203.03981	14.2
208.04591	1.5
209.02924	2.7
211.04826	2.1
213.02409	8.8
215.03955	10.3
219.03484	99.7
220.03667	3.4
221.03107	1.4
221.05081	3.2
224.03987	1.3
227.01851	1.3
227.03987	10.6
231.03465	11.0
231.57793	0.9
237.02357	1.3
237.04507	3.1
242.05145	5.8
243.03447	2.7
245.05051	100.0
246.05144	3.1
249.04568	9.5
255.03569	4.9
257.05109	5.1
261.04568	15.7
263.06119	11.8
273.04529	2.1
275.06088	11.9
279.05640	5.9
285.04526	2.2
286.07614	2.1
291.05569	1.2
293.07187	3.1
303.05551	27.8
305.07156	8.9
321.06662	40.5
321.10422	2.0
322.06784	1.3
332.86032	0.8
335.08157	3.9
339.07654	2.7
344.08493	1.2
363.07672	1.5
365.09473	8.8
483.05441	1.5
483.11954	21.5
507.13358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00717	1.0
77.00871	1.0
82.99848	1.9
97.02914	1.9
101.00860	7.3
109.02903	1.2
112.89611	3.5
113.00863	1.4
113.18896	0.9
114.89339	1.8
119.01907	29.7
127.02398	2.0
131.01888	12.8
133.03491	1.4
137.02940	3.5
143.01880	18.5
145.03448	12.1
147.01390	1.6
149.02954	3.5
155.01883	20.4
157.03473	7.2
161.01616	1.6
161.02945	24.6
163.04483	1.9
167.01837	6.9
169.03488	3.6
171.05005	2.8
173.02950	44.9
175.04565	2.1
177.02403	4.4
179.01881	3.8
183.01389	2.0
183.04959	1.1
184.04582	2.2
185.02946	43.8
186.03036	1.3
187.04471	6.0
191.04065	2.7
195.03555	0.9
196.04530	1.7
197.02936	15.8
199.04597	1.9
201.02422	41.1
202.02501	1.4
203.03993	13.1
204.04524	0.9
208.04561	1.5
209.02914	2.7
213.02443	9.6
215.03944	8.2
219.03482	100.0
220.03769	3.0
221.05086	2.7
224.04053	2.0
225.02492	1.2
227.03973	8.7
229.05827	1.0
229.38943	1.0
231.03441	13.4
233.05075	1.3
237.02380	2.3
237.04591	3.6
238.05641	1.0
239.03893	1.0
242.05087	3.8
243.03464	3.6
245.05055	97.0
246.05244	3.7
249.04515	8.7
255.03436	6.5
257.05130	4.7
261.04526	17.3
263.06100	12.4
267.03470	1.1
273.04544	2.6
275.06104	12.4
279.05609	7.6
285.04486	2.0
286.07629	1.3
291.05725	1.2
293.07104	3.3
303.05573	29.1
305.07129	10.7
321.06653	41.8
322.06784	1.5
335.08344	4.9
339.07657	2.8
344.08215	1.1
347.08023	1.1
363.07687	1.2
365.09274	8.4
483.11938	20.0
484.12650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30170	0.3
54.14179	0.3
56.05027	1.1
57.03421	0.4
57.07074	2.4
58.06591	1.5
58.42084	0.3
60.08158	15.4
64.04041	0.4
67.05496	1.0
69.07058	0.5
70.06599	0.3
71.07366	6.1
71.08611	1.5
71.08961	0.3
71.75138	0.7
81.07043	0.9
83.08609	0.8
85.10173	1.2
86.09695	47.9
89.06013	0.4
95.08603	1.5
98.98457	3.2
104.10731	100.0
105.11040	0.6
124.99989	27.4
132.28163	0.4
146.37352	0.3
163.01511	0.7
184.07324	93.6
185.07674	0.4
258.11044	1.2
299.25897	2.2
302.20700	0.4
325.73596	0.4
405.23990	0.5
436.23804	0.4
464.31369	8.0
482.32385	22.9
483.32553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22533	1.8
53.37819	1.6
55.05499	1.9
57.06792	3.8
57.07069	71.4
59.71782	1.4
69.07053	6.3
71.08239	3.5
71.08622	67.4
73.06528	3.8
73.21487	1.8
79.05482	2.5
83.08616	4.2
85.10178	34.9
87.04482	1.9
89.06020	100.0
97.10155	2.3
99.11706	5.8
99.69250	1.8
105.07005	2.0
107.07038	4.3
111.11685	5.0
113.13248	6.0
127.14796	2.4
130.08604	2.5
133.08589	66.9
151.09627	2.5
177.11209	28.4
195.12268	3.9
221.13908	4.2
239.14812	4.0
271.26108	2.7
283.17502	36.9
315.28864	3.5
334.83862	1.8
421.35214	2.8
465.37860	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42307	1.4
53.03947	2.0
55.05497	4.7
55.12075	1.4
57.03422	7.6
61.02925	1.9
62.00031	1.5
67.05490	10.3
69.03407	4.9
69.07038	4.3
69.69645	11.6
70.06563	1.9
71.04925	1.5
79.05503	7.8
81.03406	29.4
81.07035	9.0
82.43187	1.5
83.04981	7.7
83.08623	9.8
85.02898	12.0
86.09682	5.8
91.05467	13.1
93.07026	8.9
95.04964	12.4
95.08582	5.1
97.02864	4.7
97.06510	5.8
98.09692	1.6
101.05779	1.4
105.07016	9.4
107.04915	2.0
107.08574	3.8
109.06480	2.1
109.10108	2.9
111.04372	1.7
111.08039	5.2
119.08523	7.5
120.08111	12.7
121.08443	3.4
121.10125	3.6
123.08134	2.6
129.06969	3.0
131.08534	3.3
133.10115	4.7
147.08046	1.9
147.11667	9.5
149.09624	3.5
153.12778	1.7
157.10115	5.9
173.12856	3.6
174.13261	1.6
175.11157	7.2
193.12228	26.5
211.13248	25.6
267.15869	9.6
281.11194	1.7
282.11548	2.0
285.16931	100.0
286.17313	2.7
410.97354	1.6
447.21890	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30210	0.6
55.01853	0.6
55.05490	1.0
57.03433	0.6
67.05495	3.2
69.07043	1.2
69.28354	0.6
70.19332	1.2
70.19723	1.4
71.04985	0.7
79.05486	3.1
81.03406	1.8
81.07043	2.1
85.02889	1.8
91.05472	2.7
93.07023	1.8
95.04909	0.8
95.08585	1.8
97.06497	1.6
105.06997	1.2
109.10136	1.0
111.35512	0.6
119.08577	3.1
123.08060	0.7
127.00023	1.3
140.10663	1.0
140.55632	0.6
147.08025	0.7
165.09129	1.1
167.03169	1.0
169.04712	0.9
185.04266	0.8
191.03172	0.9
192.03940	2.7
194.55875	0.6
197.14503	0.6
217.04761	1.8
218.05545	1.1
227.05286	5.8
232.07129	1.6
233.07814	18.3
260.10074	1.0
271.04193	5.9
395.13110	5.7
396.10233	5.5
422.11780	1.0
437.14163	39.3
438.14627	1.1
444.33398	1.1
445.33224	0.9
463.34576	0.9
466.10309	0.7
481.13153	100.0
482.13409	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93730	0.8
56.05021	3.4
63.00697	1.0
64.57096	0.9
69.03417	2.3
69.70417	1.6
69.70832	5.3
70.06574	4.3
71.04990	0.8
72.08136	2.1
74.06068	4.9
84.04480	1.8
85.02887	3.5
86.09703	7.7
87.10019	0.9
91.05425	0.9
97.02866	2.4
97.12000	0.8
102.05584	0.9
104.05316	1.6
105.05559	1.1
105.07011	1.8
106.04881	2.9
109.02865	0.9
110.06045	0.9
120.08097	3.4
123.00735	1.3
126.05452	1.2
127.00000	1.0
132.10170	1.1
133.06464	1.5
134.54105	1.0
136.07561	2.6
144.06502	0.9
156.06538	3.2
158.61705	0.7
161.05969	2.8
169.01355	1.7
169.06522	0.8
170.06714	0.9
186.09067	1.2
187.07330	1.8
193.08578	1.3
193.49110	0.8
201.05165	1.1
203.06548	1.5
212.33755	0.8
214.08607	2.3
215.06898	2.8
215.13824	1.3
216.07358	1.4
217.04810	1.3
217.08170	1.4
227.05254	2.2
230.96873	0.8
232.07043	14.3
233.07822	7.6
233.15001	2.4
235.05310	0.9
242.08075	2.1
249.07100	1.8
256.09711	2.5
259.09698	1.3
260.09485	5.4
271.04263	3.3
284.09106	1.7
302.10223	15.9
315.74405	0.8
318.06982	0.9
319.07361	3.1
319.12646	1.1
350.12256	2.3
395.13138	3.9
437.14166	33.9
438.14108	1.1
481.13120	100.0
482.13647	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.308
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.85855	0.6
53.03921	0.5
55.05507	13.6
57.03438	6.8
57.07069	6.7
67.05495	9.7
69.06678	1.0
69.07058	19.6
69.76173	1.1
69.76587	3.8
71.04969	1.0
71.08618	3.6
74.23518	0.5
79.05476	4.1
81.07047	13.7
83.04966	0.9
83.08607	13.6
85.10149	1.6
86.09698	1.4
91.05463	1.1
93.07029	7.3
95.08593	10.5
97.06512	2.3
97.10145	6.5
98.06066	0.5
98.98447	0.7
99.65183	0.7
107.08569	3.8
109.10143	4.5
110.32376	0.7
111.08068	1.5
111.11681	1.7
121.10132	6.2
123.11710	1.8
123.22401	0.6
125.09618	1.2
135.11673	4.2
149.13272	1.8
153.12810	0.5
163.14850	0.8
174.83997	0.5
184.99492	0.5
247.24263	0.8
265.25244	1.7
271.79233	0.6
278.77902	0.6
308.29367	2.9
339.28906	100.0
340.29260	1.9
428.86890	0.6
480.33578	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.308
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05507	11.7
57.03427	3.2
57.07059	4.8
62.06081	27.8
67.05503	10.0
69.07056	17.4
71.08617	1.3
71.75392	1.6
76.82668	1.1
79.05478	4.2
81.07049	12.9
83.08612	12.0
85.10176	1.8
91.05476	1.4
93.07016	6.0
95.08601	11.0
97.06532	1.4
97.10162	5.0
98.98476	7.0
104.08236	1.1
107.08564	2.8
109.10128	3.5
111.11669	1.6
119.08530	1.4
121.10145	4.6
122.81611	1.1
124.01656	1.7
135.11655	3.8
142.02638	1.9
143.40465	1.2
148.06075	1.1
155.00987	7.7
216.06131	2.3
252.21519	1.1
260.75336	1.4
261.86951	1.1
265.25198	5.7
308.29477	12.5
339.28891	100.0
340.29355	1.6
364.47168	1.3
416.23236	1.2
419.25415	2.9
444.74841	1.2
462.29645	2.9
480.30417	2.4
481.15280	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.3
57.07056	1.5
58.06583	2.0
60.00275	0.9
60.08155	15.7
67.05495	2.8
69.07063	2.8
71.07359	7.9
79.05481	1.4
81.07043	2.3
86.09698	51.1
91.05489	1.0
91.62408	0.9
93.07031	2.9
95.08580	1.4
97.06542	1.8
97.10169	1.0
98.98457	3.7
104.10732	100.0
107.08615	1.9
109.10211	0.9
124.99990	27.4
132.10219	1.0
135.11703	1.6
163.03882	5.5
184.07327	98.5
207.06468	5.2
258.10678	1.6
300.29025	2.2
364.37842	1.1
462.29688	10.0
480.30786	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32584	0.6
53.03917	0.8
55.01847	2.3
55.05499	4.1
57.03424	2.4
61.02915	1.4
65.03910	0.9
65.59250	0.8
67.05499	5.4
67.66092	0.6
69.03418	1.2
69.07057	7.6
71.04988	1.2
71.23507	1.3
73.02905	0.7
79.05481	13.4
81.03407	2.0
81.07059	7.6
83.04964	2.1
83.08608	4.3
85.02883	1.9
86.09696	4.8
87.10014	1.1
89.03917	0.9
91.05457	2.8
91.05975	0.7
93.07035	11.6
95.01293	1.0
95.04958	3.8
95.08593	15.4
97.02866	3.7
97.06516	42.0
98.06835	1.1
99.04444	2.4
99.49827	0.6
105.06995	2.9
107.04915	3.8
107.08582	10.7
109.06468	1.0
109.10134	1.7
111.04401	0.9
117.03367	0.9
117.06992	3.4
119.08566	5.1
121.06496	2.3
121.10122	6.5
123.00777	12.5
123.01633	1.1
123.10314	0.7
125.05985	1.9
133.02841	1.1
135.04401	2.7
135.08049	1.1
135.11673	22.5
137.05870	0.9
139.07509	1.0
141.01811	5.2
145.02821	2.0
145.10112	13.3
153.12656	0.8
159.04346	0.9
161.02310	4.6
163.03893	18.8
163.11163	34.2
164.04276	0.8
164.11490	0.7
169.01295	13.5
173.02324	9.4
173.05981	1.3
173.12949	0.8
181.12245	5.9
184.07321	1.8
187.07417	0.9
189.05420	1.0
197.05779	0.8
209.11731	1.2
215.07011	16.2
215.08998	1.0
216.07555	0.8
227.03711	1.3
227.12747	48.6
228.13010	1.3
241.08662	1.2
242.06091	1.7
259.09631	53.8
260.09918	3.0
277.10806	1.3
283.15369	100.0
284.15594	3.1
301.07425	0.9
301.16440	2.0
318.06827	2.2
381.09711	0.9
445.11365	5.4
480.19342	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32584	0.6
53.03917	0.8
55.01847	2.3
55.05499	4.1
57.03424	2.4
61.02915	1.4
65.03910	0.9
65.59250	0.8
67.05499	5.4
67.66092	0.6
69.03418	1.2
69.07057	7.6
71.04988	1.2
71.23507	1.3
73.02905	0.7
79.05481	13.4
81.03407	2.0
81.07059	7.6
83.04964	2.1
83.08608	4.3
85.02883	1.9
86.09696	4.8
87.10014	1.1
89.03917	0.9
91.05457	2.8
91.05975	0.7
93.07035	11.6
95.01293	1.0
95.04958	3.8
95.08593	15.4
97.02866	3.7
97.06516	42.0
98.06835	1.1
99.04444	2.4
99.49827	0.6
105.06995	2.9
107.04915	3.8
107.08582	10.7
109.06468	1.0
109.10134	1.7
111.04401	0.9
117.03367	0.9
117.06992	3.4
119.08566	5.1
121.06496	2.3
121.10122	6.5
123.00777	12.5
123.01633	1.1
123.10314	0.7
125.05985	1.9
133.02841	1.1
135.04401	2.7
135.08049	1.1
135.11673	22.5
137.05870	0.9
139.07509	1.0
141.01811	5.2
145.02821	2.0
145.10112	13.3
153.12656	0.8
159.04346	0.9
161.02310	4.6
163.03893	18.8
163.11163	34.2
164.04276	0.8
164.11490	0.7
169.01295	13.5
173.02324	9.4
173.05981	1.3
173.12949	0.8
181.12245	5.9
184.07321	1.8
187.07417	0.9
189.05420	1.0
197.05779	0.8
209.11731	1.2
215.07011	16.2
215.08998	1.0
216.07555	0.8
227.03711	1.3
227.12747	48.6
228.13010	1.3
241.08662	1.2
242.06091	1.7
259.09631	53.8
260.09918	3.0
277.10806	1.3
283.15369	100.0
284.15594	3.1
301.07425	0.9
301.16440	2.0
318.06827	2.2
381.09711	0.9
445.11365	5.4
480.19342	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
56.05011	1.4
57.03429	1.8
66.59595	1.5
70.06580	8.2
71.73643	1.6
71.74055	1.8
72.08157	3.6
78.43517	1.3
79.05469	1.9
81.03400	5.3
81.07054	4.5
82.06567	3.9
84.04502	3.7
84.08128	4.3
85.02902	3.0
86.09702	6.8
88.03970	1.5
91.05470	6.3
93.03426	1.5
93.07040	2.2
95.01312	2.1
95.08594	2.6
97.02866	3.1
105.06989	2.1
119.04916	2.2
119.08545	6.4
120.08072	3.1
123.00767	4.9
129.10228	1.5
137.05972	1.9
137.09604	4.4
141.01846	2.4
141.06952	3.4
147.04375	4.6
153.01816	9.2
154.02167	4.7
165.09111	9.5
169.01303	11.5
169.06462	12.8
173.06036	2.8
175.03889	3.7
183.10182	1.9
187.07504	6.8
197.05966	7.2
200.04678	10.4
215.07034	20.6
228.04207	2.6
229.04817	3.7
230.05176	2.6
239.12816	2.9
245.04565	1.7
246.05302	1.9
257.13797	13.3
259.09650	32.6
260.09927	4.2
260.12613	1.5
274.04477	4.5
275.05084	4.1
285.03897	3.4
286.04227	5.1
288.15570	1.6
300.17987	4.3
302.04129	5.6
303.04449	14.5
317.06494	40.4
318.06873	100.0
318.19104	3.9
319.07047	7.4
445.11407	2.8
462.22546	1.7
481.13312	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64749	0.6
54.45316	0.7
55.01865	1.0
55.05487	1.4
57.03422	1.7
57.76419	0.7
64.98668	0.7
67.05486	2.2
67.05800	0.7
69.03407	2.5
69.07058	6.1
70.02600	3.7
70.06583	1.3
72.08141	0.8
72.46632	0.8
77.96020	0.8
79.05489	5.6
81.03367	1.0
81.07069	0.7
84.04488	0.8
84.08115	0.8
85.02891	3.0
86.09696	1.6
89.03903	1.7
91.05461	1.6
93.07036	1.2
95.01309	2.4
95.04930	1.6
97.02888	2.0
97.06519	51.7
98.09679	7.9
98.97558	1.4
107.04929	1.0
107.08589	0.8
117.03352	2.5
121.10123	0.8
123.00773	16.9
133.02827	1.6
135.04404	2.4
137.05914	1.1
140.14340	1.8
141.01801	7.7
141.06909	0.9
145.02829	6.6
147.04300	0.8
158.15344	2.0
159.04387	4.7
159.08043	1.1
161.02345	10.8
161.05949	1.1
163.03888	22.2
169.01306	25.8
169.06465	2.2
173.02325	18.8
177.05431	7.4
185.05937	1.2
187.03824	1.3
187.07529	2.0
189.09053	1.2
194.63777	0.7
197.05983	2.4
200.04659	0.9
215.07011	33.1
233.07986	4.5
241.08479	1.7
244.77901	0.8
259.09634	100.0
260.10040	2.8
276.09863	0.8
283.15317	3.1
301.07220	0.9
303.04391	1.3
317.06604	4.5
318.06876	9.7
334.20148	1.4
415.04459	0.7
427.10196	1.3
435.15259	1.0
445.11169	9.7
465.64786	0.7
480.25809	6.2
481.13147	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60165	0.6
53.03936	1.9
55.01866	1.4
55.05260	1.1
55.05507	9.7
56.45898	0.7
57.03427	5.9
57.07066	1.6
63.45679	0.7
65.03938	1.7
67.05499	29.4
69.07059	15.2
69.41946	0.6
70.25430	0.6
71.04993	1.2
71.55563	1.1
73.06545	1.1
79.05486	28.4
81.03429	1.1
81.07047	100.0
82.07368	0.8
83.04977	1.5
83.08611	6.5
85.06545	1.4
85.31057	0.7
91.05472	12.8
93.07034	17.5
95.04964	2.2
95.08595	22.0
97.06538	4.7
97.10163	1.8
99.08086	4.2
105.07018	10.4
107.08584	12.9
109.06498	2.6
109.10146	12.5
111.08100	1.7
111.11712	0.7
115.07553	0.8
115.77621	0.7
117.07001	4.9
119.08572	8.3
121.10137	8.5
123.08090	1.3
123.11693	4.3
125.05925	1.2
127.07543	4.7
129.07045	2.0
131.08545	7.9
133.10127	7.4
133.11049	1.2
135.08023	0.8
135.11681	8.8
137.13283	1.6
141.43536	0.7
143.07022	7.1
143.08543	2.0
145.08588	5.5
145.10101	4.9
147.11688	6.4
149.13264	4.5
157.10080	1.8
159.11646	6.0
161.08098	1.7
161.13254	4.6
163.11200	1.2
163.14861	2.9
171.11745	2.4
173.13199	4.8
175.14827	1.9
183.11732	1.1
185.13271	2.1
187.11240	0.7
187.14845	2.3
189.16420	1.1
192.56267	0.9
197.13286	0.8
199.09608	5.4
199.14830	1.6
201.11195	21.5
201.16281	1.3
203.12759	0.8
215.17935	0.9
217.16306	0.6
229.14336	0.9
243.21085	3.3
253.19415	0.7
259.20615	1.7
261.22101	15.8
263.23611	1.6
279.23294	1.0
317.24741	3.1
333.24512	0.8
335.25800	14.2
351.26691	1.4
363.25192	0.9
369.27844	6.2
387.28918	2.5
405.29913	1.4
443.31680	3.0
460.09396	0.8
461.26093	1.0
461.32620	18.2
479.27298	0.9
479.33792	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.2
55.01851	4.1
55.05270	2.0
55.05508	31.2
56.28661	1.7
57.03429	9.2
57.07055	4.9
58.85418	1.7
59.04988	3.8
65.03922	3.1
65.10835	1.9
66.67338	1.6
67.05497	100.0
69.03428	3.2
69.07059	20.0
71.04971	5.0
71.75090	2.1
75.79817	1.6
79.05486	42.5
81.07046	73.7
83.04973	3.2
83.08611	20.7
84.37013	1.8
84.62863	1.7
85.06516	4.0
91.05470	26.8
93.07034	46.8
95.04947	7.5
95.08600	46.9
97.06513	6.5
97.10155	23.9
99.08071	6.4
105.07012	25.9
107.08586	32.3
109.06490	4.9
109.10149	49.4
111.08032	4.0
113.09580	1.9
117.07016	12.0
119.08562	25.3
121.10117	23.5
123.08028	3.8
123.11661	10.7
125.09623	16.4
129.07007	4.4
131.08556	16.2
133.10112	18.4
135.08095	3.2
135.11674	21.5
137.09575	5.4
137.13225	2.7
139.11177	2.2
143.08485	2.8
145.10110	13.6
147.11679	17.4
147.56657	2.0
149.09604	4.1
149.13277	9.4
151.11142	2.4
153.09140	3.5
159.11702	14.0
161.13234	6.2
163.11165	1.9
166.48792	2.1
171.11653	6.4
173.11697	13.1
173.13239	7.7
173.14594	1.8
175.10995	2.2
175.14844	1.9
183.11652	2.3
185.13242	5.3
187.14777	4.1
189.11206	14.6
189.16248	2.4
199.14798	2.4
201.11125	3.1
205.19511	4.5
213.16432	3.0
215.17989	14.1
225.16373	3.0
227.12688	10.3
227.17839	2.3
229.14279	23.9
231.17542	3.7
233.18983	25.5
261.21957	2.7
271.20639	2.8
289.21573	4.0
301.21780	2.0
305.21179	2.3
307.22552	13.8
335.25858	2.0
351.26962	4.5
369.27844	16.1
387.28836	8.8
405.29865	4.0
443.31326	6.8
461.32538	35.1
462.33490	2.5
479.33603	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	32.1
57.03432	0.9
58.06588	5.3
60.04491	0.8
61.00845	1.3
61.01143	21.5
66.89986	0.7
69.07047	0.8
70.02936	1.8
70.06576	5.3
71.74165	1.0
72.08138	1.5
73.02909	1.7
74.06069	44.0
81.03420	0.8
82.06560	2.0
84.04504	5.6
84.08122	1.9
85.02889	1.1
86.06055	1.0
86.09697	17.9
87.06842	0.7
88.03976	3.2
89.05582	0.7
90.13564	0.7
91.05470	0.8
92.02595	1.4
93.03369	0.9
98.97572	2.1
100.03967	0.8
100.07603	1.0
101.07104	1.4
102.05506	1.2
104.05318	33.4
108.04445	2.8
110.06035	4.0
116.01654	0.8
116.98595	1.4
120.08082	2.0
121.02898	0.9
123.00777	1.7
124.11208	0.7
125.07093	2.5
126.05491	9.6
127.08669	2.3
128.98586	1.3
129.06575	1.3
130.04926	1.2
130.06831	1.9
132.10173	9.4
136.07576	0.9
137.05966	0.8
138.05479	1.0
141.06883	0.8
141.13832	2.1
142.12292	0.7
144.06531	11.2
145.06114	1.6
151.03951	1.1
153.01804	7.9
153.06596	2.1
156.04770	2.9
158.11758	0.8
159.08046	0.7
161.72015	0.8
162.02167	0.8
163.03796	0.7
169.01306	2.0
169.06468	1.5
169.13329	2.5
170.99559	0.9
171.07648	3.0
174.05812	8.7
177.00713	1.8
181.06081	1.0
187.07521	0.9
187.14478	4.3
189.08690	6.3
197.05928	0.9
197.12846	2.9
199.07245	1.1
200.04628	2.8
201.05515	0.8
201.06955	9.6
202.05289	2.6
215.06955	4.9
215.13885	15.1
217.08171	9.4
218.05786	0.9
219.07944	6.8
228.04166	1.7
229.04788	3.5
233.14929	34.4
234.15224	0.9
237.02898	0.8
243.13467	1.7
245.04396	2.0
246.05212	1.7
247.07458	22.3
249.67953	0.8
257.04456	3.0
257.37073	0.7
259.09595	7.5
273.03937	2.3
274.04736	4.9
274.71021	0.9
277.11679	0.8
278.72052	0.8
284.15936	2.2
285.03986	3.8
302.04202	14.1
302.11737	1.2
304.09592	1.1
305.09055	2.3
312.15793	1.0
315.15573	0.8
317.06525	100.0
318.06909	6.6
320.12735	1.1
330.11053	3.3
330.16568	7.9
348.12183	13.0
348.17450	3.0
376.13544	0.9
386.03973	0.9
397.18250	0.9
415.20013	2.0
419.12314	2.1
443.19675	1.9
461.20633	5.4
479.15411	1.2
479.21497	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1181
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
56.05020	0.6
60.04508	0.2
61.01137	0.3
65.03927	0.3
68.99786	0.2
70.06570	0.6
70.34291	0.7
72.08125	0.2
73.28012	0.1
74.06063	0.6
80.16538	0.1
81.03426	0.2
84.04488	0.6
84.08141	0.2
85.02917	0.3
86.09700	3.2
92.02620	1.3
93.03402	1.2
95.04949	0.2
97.02894	0.2
102.05527	0.3
104.05315	0.7
109.02859	0.2
111.00801	0.3
117.83952	0.1
120.08118	0.2
121.02846	1.1
123.04521	0.1
126.03105	0.6
126.05493	0.5
137.02274	0.4
139.03909	1.0
144.06526	0.2
149.02373	0.2
150.05782	0.6
151.03900	0.8
153.01810	10.2
153.06551	0.1
163.03867	0.2
165.01834	0.6
166.02606	0.2
169.01251	0.2
173.05957	0.2
177.05505	0.2
181.06015	0.2
183.02933	0.3
183.04445	0.2
187.03899	0.2
189.08871	0.2
190.06163	0.1
199.07111	0.5
200.04675	0.4
201.05515	0.8
203.03325	0.7
215.06995	0.3
215.13861	0.3
217.04984	1.2
217.08206	0.2
218.05780	0.7
219.02917	0.3
228.04163	2.2
229.04942	3.9
231.02902	0.4
233.15028	0.5
239.03284	0.2
245.04425	2.1
246.05234	2.4
247.07550	0.3
256.03568	0.4
257.04431	3.0
259.09619	0.3
260.03119	0.6
261.07617	0.3
263.14267	0.4
266.14734	0.2
273.03915	2.6
274.04703	5.1
284.03156	0.6
285.03897	5.5
286.04492	0.3
287.01807	0.2
288.06253	0.3
301.03333	0.4
302.04178	15.0
303.04504	0.5
312.15396	0.2
317.06519	100.0
318.06927	2.9
330.16672	0.2
461.20505	0.2
479.11957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59420	0.1
56.05025	1.2
58.06588	0.1
61.01141	0.8
61.02918	0.1
61.97127	0.1
65.03928	0.3
68.17512	0.1
68.99780	0.2
69.03384	0.1
70.02937	0.2
70.06586	0.6
71.73977	0.2
72.08138	0.2
74.05668	0.1
74.06062	1.8
81.03404	0.2
84.04494	0.2
84.08114	0.3
84.66505	0.1
85.02888	0.3
86.09700	0.8
92.02612	1.1
93.03392	1.4
95.04936	0.1
98.97566	0.1
101.07178	0.1
104.05310	1.4
109.02855	0.1
110.05978	0.2
111.00782	0.2
120.08060	0.1
121.02853	1.2
126.03123	0.6
126.05502	0.4
127.03939	0.1
130.04988	0.1
131.04860	0.1
132.10213	0.5
132.27411	0.1
135.04361	0.1
137.02306	0.4
139.03899	1.1
139.20558	0.1
144.06529	0.3
145.04881	0.1
145.06396	0.1
147.04385	0.3
150.03024	0.1
151.03891	1.0
153.01797	8.7
154.02216	0.1
155.04816	0.2
156.04695	0.2
159.71577	0.1
163.03871	0.3
165.01784	0.8
166.02559	0.2
169.01251	0.2
173.05959	0.3
174.05840	0.3
177.05463	0.4
179.03285	0.1
181.01588	0.1
183.02863	0.2
183.04358	0.2
183.53920	0.1
187.03925	0.2
187.14400	0.2
187.25374	0.1
189.05501	0.1
189.08754	0.2
190.06093	0.2
192.04059	0.2
197.12892	0.1
199.07117	0.1
200.04692	0.6
201.05415	0.8
201.07008	0.3
203.03297	0.5
204.04025	0.1
205.04858	0.1
215.03244	0.1
215.07042	0.2
215.13950	0.8
217.04916	1.1
217.08240	0.3
218.05791	0.6
219.02989	0.2
219.07948	0.3
228.02097	0.2
228.04146	1.8
229.04924	4.2
229.07213	0.2
230.05353	0.2
231.02882	0.6
233.14931	1.1
239.03423	0.1
241.09624	0.1
245.04408	1.6
246.05222	2.2
247.07510	0.8
256.03677	0.4
257.04388	3.1
258.04977	0.2
259.09573	0.5
260.03143	0.4
261.07599	0.2
271.05957	0.3
273.03873	2.2
274.04669	4.8
275.05002	0.2
284.03192	0.6
285.03894	5.5
286.04382	0.4
287.01767	0.2
288.06189	0.2
301.03278	0.3
302.04163	14.4
303.04532	0.6
305.09033	0.1
316.05679	0.1
317.06497	100.0
318.06854	4.1
329.06348	0.2
330.11069	0.2
330.16559	0.2
348.12210	0.3
348.16888	0.1
359.07501	0.2
383.07275	0.2
419.12054	0.2
443.19543	0.2
461.20712	0.2
479.11276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1179
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03926	0.3
54.68959	0.2
55.01878	0.2
57.03418	0.6
61.02920	7.1
65.03925	0.3
68.99773	0.2
69.03424	1.1
70.34542	0.8
73.02915	1.5
78.78994	0.2
81.03386	0.5
85.02896	6.3
91.03940	3.3
92.02599	1.3
93.03388	1.6
97.02879	2.9
97.06534	0.3
98.20741	0.2
99.04448	0.3
109.02873	0.3
115.03919	0.4
120.75894	0.2
121.02848	1.3
123.04473	0.2
126.03086	0.7
127.03884	0.7
131.62109	0.2
135.04410	0.2
137.02367	0.2
139.03888	0.7
145.04901	0.7
151.03893	0.7
153.01808	9.2
153.03059	0.4
163.03903	0.4
165.01823	0.7
177.05524	0.4
200.04739	0.2
201.05522	1.1
203.03430	0.6
217.04926	0.9
218.05696	0.6
219.02864	0.3
228.04099	1.8
229.04956	4.0
231.02887	0.8
245.04416	1.8
246.05209	2.4
256.03601	0.4
257.04404	3.0
258.05045	0.2
259.09650	0.5
260.03143	0.6
261.07391	0.3
271.05887	0.4
273.03900	1.9
274.04675	4.3
284.03073	0.7
285.03912	4.6
286.04544	0.4
302.04172	13.4
303.04514	0.4
317.06519	100.0
318.03549	0.2
318.06854	3.6
329.06467	0.4
359.07657	0.2
383.07745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.05503	0.2
57.03419	0.5
61.02920	5.6
65.03922	0.3
68.99796	0.4
69.03408	0.8
70.06568	0.3
70.69960	0.5
71.04961	0.2
73.02914	1.6
77.90303	0.2
79.05460	0.3
81.03381	0.4
85.02897	5.0
86.09695	0.4
87.62898	0.2
91.03941	3.0
92.02604	0.7
93.03397	1.0
95.01276	0.2
97.02878	2.7
97.06514	1.2
98.09697	0.3
99.04384	0.3
100.83281	0.2
109.02825	0.5
115.03906	0.2
116.43559	0.2
121.02899	1.1
123.00790	0.5
126.03123	0.5
127.03895	0.9
129.07036	0.2
137.02333	0.5
139.03893	0.9
145.04922	0.3
151.03906	1.1
153.01807	6.8
159.04401	0.3
161.02274	0.2
163.03886	0.6
165.01808	0.5
165.76465	0.2
166.02625	0.2
167.99324	0.2
168.00513	1.4
169.01262	0.8
173.02322	0.5
177.05412	0.4
178.22490	0.2
186.01630	1.1
200.04654	0.2
201.05519	0.5
203.03380	0.4
215.07072	1.3
217.05016	0.6
218.05736	0.4
226.16122	0.2
228.04134	1.3
229.04941	3.5
231.02811	0.3
233.07895	0.3
242.65831	0.2
245.04420	1.3
246.05112	1.6
257.04385	2.0
258.05197	0.3
259.09647	2.8
260.03226	0.3
261.07404	0.3
271.05887	0.2
273.04019	1.3
274.04688	3.4
284.02994	0.4
285.03903	3.7
287.01981	0.2
288.06268	0.2
302.04181	23.2
303.04446	0.9
317.06528	100.0
318.06897	4.5
322.84192	0.2
329.06406	1.1
359.07623	0.6
383.07440	0.4
395.02582	0.2
425.09036	0.2
479.10184	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80734	1.6
53.03939	11.5
55.01860	5.2
55.05495	5.9
57.03431	6.8
61.02912	2.9
67.05501	11.4
68.99778	6.4
69.03421	47.1
69.07063	2.8
69.71334	10.3
70.06574	2.2
71.01326	2.6
71.04973	10.4
73.02923	3.2
73.42381	1.3
79.05482	9.8
80.79735	1.3
81.03408	57.7
81.07043	9.1
83.04964	8.4
83.08610	4.2
84.06109	1.4
85.02384	2.8
85.02896	55.1
85.24411	1.3
87.00809	14.3
91.05476	14.6
93.07037	7.5
95.04954	7.6
95.08612	5.0
97.02895	15.0
97.06535	5.2
97.10191	1.2
99.04456	20.1
101.02341	1.6
103.03941	2.4
105.01839	7.2
105.07023	8.7
107.04949	2.1
107.08588	5.4
109.02869	43.3
109.06566	1.7
109.10157	3.6
111.04439	7.3
115.03862	1.6
117.07022	3.3
119.08568	5.4
121.06513	2.1
121.10094	2.6
123.04430	4.0
123.08056	1.5
123.11659	2.0
125.02419	2.2
125.09626	2.1
127.03904	100.0
129.01851	4.0
129.07007	2.0
129.71082	1.4
131.08528	2.4
133.06598	1.5
133.10143	3.2
135.08046	4.0
135.11705	2.7
137.09630	3.0
139.03850	2.7
141.05533	1.5
145.04930	4.9
145.10049	2.1
147.02940	1.4
149.09608	1.9
151.03946	2.8
151.07518	1.7
163.11168	2.6
165.09109	5.0
169.04947	2.9
171.02942	2.4
173.09775	1.5
175.11177	1.5
182.26035	1.6
187.05981	3.6
189.03909	7.7
189.11176	1.6
209.11626	2.3
213.03938	13.6
231.05009	8.9
255.04878	2.0
259.09723	3.3
273.05954	3.3
317.06430	2.3
339.06967	2.2
355.18826	1.7
359.84735	1.6
399.10931	1.9
405.22958	1.7
443.08081	2.5
461.09244	14.8
479.19394	2.4
479.26486	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.056
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36202	4.8
69.47426	16.7
69.47855	32.2
77.48280	4.8
94.93000	20.0
101.10683	4.8
112.89597	49.7
114.89325	45.1
136.93044	8.6
136.94014	90.2
148.94011	22.8
166.95093	39.7
195.18010	4.7
196.96062	11.2
214.89395	44.9
237.79916	5.4
248.89589	26.3
256.90485	60.2
256.98187	22.8
286.91519	7.2
288.03735	5.6
381.07935	100.0
419.03522	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2923
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.31785	1.5
50.92063	1.4
55.05508	11.8
55.11539	1.2
57.03422	5.4
57.07113	1.6
62.06080	39.1
65.03937	1.5
67.05494	33.3
69.07065	15.9
70.06481	6.3
79.05489	8.6
81.07049	34.7
83.08592	7.0
85.06535	1.6
91.05465	6.4
92.97386	1.3
93.07043	11.2
95.08595	23.5
97.06535	2.3
97.10161	4.4
98.06041	1.8
98.98444	9.1
99.08128	1.6
105.07021	3.8
107.08597	6.3
109.10132	10.4
119.08601	3.3
121.10129	4.5
123.11706	4.5
124.01591	1.5
133.10091	3.9
135.11682	2.7
137.13206	3.3
142.02655	1.9
147.11708	3.0
155.01050	6.1
161.13164	1.4
173.02150	2.5
198.05243	3.0
216.06364	4.1
245.22711	2.1
263.23694	8.9
294.03601	1.6
306.27969	15.9
337.27322	100.0
348.09000	1.4
460.28384	3.2
478.29361	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2924
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03927	0.7
54.12266	0.2
55.01852	0.6
55.05506	11.9
57.03158	0.4
57.03430	7.2
57.07072	1.2
62.06080	0.5
65.03922	0.9
67.05496	24.4
69.07062	14.9
70.06577	0.3
70.34684	0.4
70.35083	0.5
71.04973	0.7
71.08624	0.6
79.05483	6.9
81.07045	23.5
83.04964	0.8
83.08611	7.8
85.06525	0.6
91.05471	4.2
93.07030	6.4
95.04944	0.7
95.08593	17.6
97.06523	1.0
97.10157	2.9
98.06017	0.4
98.98444	0.6
99.08081	0.8
105.07010	3.2
107.08576	4.0
109.10139	6.3
111.08076	1.1
111.11686	0.7
119.08572	2.8
121.10147	2.6
123.08072	0.3
123.11703	2.6
125.09603	0.3
127.11138	0.3
133.10110	2.8
135.11681	1.5
137.13243	0.9
147.11656	1.2
149.13231	0.9
150.40005	0.2
151.14819	0.5
161.13235	0.8
163.14879	0.3
165.16368	0.3
175.14818	0.9
189.16327	0.4
190.35559	0.2
192.02550	0.2
193.15849	0.3
198.05269	0.6
216.06245	0.8
263.23825	1.4
266.81772	0.3
306.27820	3.3
319.26202	0.4
337.27319	100.0
338.27750	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01864	2.9
55.05515	7.7
61.02909	1.4
65.03924	1.3
67.05497	7.3
69.03432	5.5
69.07059	3.9
70.06590	1.3
71.04978	1.9
73.02892	1.1
79.05485	18.2
81.03413	4.7
81.07050	8.3
83.04975	2.0
83.08599	2.3
85.02895	13.2
87.00820	5.0
91.05470	21.7
93.07035	84.9
94.07374	1.8
95.04948	6.8
95.08577	2.7
97.02896	6.0
97.06505	3.9
99.04413	3.0
100.11232	3.7
105.01854	14.6
105.07036	11.0
107.04983	1.3
107.08583	100.0
109.02860	3.7
109.06541	3.4
109.10144	2.6
111.18594	1.2
117.07013	1.4
119.04890	1.2
119.08549	3.4
121.06458	1.6
121.10129	4.0
127.03912	11.5
133.10117	3.8
135.07956	1.2
135.11681	82.4
136.11992	2.2
145.04970	4.8
147.11757	1.6
149.13237	1.8
153.12708	4.1
159.02971	1.4
159.11693	1.9
163.03867	1.9
168.17511	1.9
192.39668	1.1
193.12260	1.2
195.13753	3.8
212.16454	1.5
219.13724	1.1
229.46152	1.6
231.04985	5.8
233.15294	1.2
249.05937	3.4
259.09695	1.6
284.09482	1.3
368.23053	1.9
386.24124	2.7
454.71643	1.3
460.27649	5.2
478.16010	1.9
478.28787	2.2
478.40042	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.7
53.03941	1.3
55.01864	1.4
55.05503	8.1
57.03431	7.7
57.07073	0.8
65.03934	1.6
67.05498	21.8
68.05827	2.3
69.07065	7.1
70.07394	0.8
71.00076	0.7
71.00414	1.4
71.04980	1.1
77.03932	1.0
79.05487	30.3
80.05814	1.8
81.03419	1.5
81.07047	100.0
82.07381	2.2
83.04964	3.0
83.08628	3.1
85.02898	1.0
85.06543	1.1
91.05470	19.9
92.05817	1.5
93.07032	20.4
94.07340	1.5
95.04966	3.6
95.08606	13.3
96.08939	2.7
97.06541	1.8
97.10166	1.6
98.84344	0.6
99.08099	4.5
103.05466	0.7
105.06325	1.1
105.07025	19.5
106.07327	0.9
107.04922	1.6
107.08585	11.5
109.06525	2.1
109.10144	7.4
115.05497	0.8
117.07010	4.9
119.08569	19.2
119.09399	1.1
121.10135	8.1
123.08078	1.1
123.11691	1.3
125.09599	0.8
127.07520	5.7
128.06160	0.7
129.05476	0.9
129.06964	3.1
131.08542	7.7
133.10118	13.5
134.10426	0.9
135.08011	1.0
135.11681	7.2
137.09624	0.9
143.07011	1.4
143.08572	3.4
145.08603	7.7
145.10129	7.6
147.07979	0.7
147.11671	14.5
149.09581	1.0
149.13229	3.6
151.11177	0.9
153.01834	1.6
155.08562	0.8
156.09401	0.8
157.10173	3.5
159.11649	5.9
161.13243	8.9
163.11166	1.6
163.14888	1.9
164.05592	0.7
169.10158	0.8
171.11722	4.1
173.13246	3.9
175.11157	0.7
175.14803	4.1
183.11655	0.9
185.13275	2.8
187.14844	1.2
189.12820	1.1
199.09659	1.4
199.14891	2.1
201.11206	28.2
201.16364	0.8
213.16350	1.0
229.14311	1.3
231.17480	2.1
231.21120	2.3
241.19472	10.3
243.21115	1.1
257.19080	0.9
259.20547	20.5
261.22095	1.3
315.23337	1.2
333.24225	13.2
335.25720	3.4
336.26132	24.3
338.07581	0.7
339.04971	1.0
367.26480	0.7
450.75778	0.6
459.14337	1.0
459.31500	3.5
477.15674	5.2
477.27539	1.5
477.32358	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.7
55.01860	5.1
55.05500	25.8
57.03429	12.5
57.07066	3.9
61.02066	2.3
65.03931	3.7
67.05135	5.0
67.05494	100.0
69.03407	2.6
69.07066	14.8
70.93536	2.2
71.04973	8.7
71.74481	2.3
71.74880	3.6
79.05481	36.9
81.03393	8.0
81.07047	55.2
83.04964	5.2
83.08613	11.0
85.06505	5.3
86.21976	2.2
88.67984	2.2
90.88136	2.6
91.05467	51.7
93.07034	40.3
95.04935	8.0
95.08592	27.9
97.06509	4.2
97.10152	7.3
99.08076	4.7
105.07024	44.3
107.04940	4.6
107.08585	27.7
109.06498	2.7
109.10143	57.1
111.08040	6.3
114.59884	2.8
117.06983	10.9
117.90541	2.2
119.08574	44.4
121.10139	20.1
123.08056	2.9
125.09587	5.8
129.06978	13.5
131.08543	22.2
133.10115	64.5
135.08067	3.9
135.11684	15.8
137.09573	3.6
142.07693	3.4
143.08528	10.9
145.08517	2.5
145.10112	22.7
147.11655	48.7
149.09563	4.1
149.13206	5.1
151.11075	2.5
157.10135	18.0
159.11630	12.9
161.13268	6.6
163.11201	4.4
166.28351	2.0
169.10135	5.1
170.38632	2.3
171.11681	20.8
173.11717	17.8
173.13234	6.4
181.12225	2.4
182.63942	2.2
185.13263	6.2
187.14758	6.5
189.11142	2.4
189.12733	4.0
189.16359	9.9
201.11081	2.5
203.14160	2.4
203.17917	15.2
213.16351	44.2
227.12764	12.2
229.14310	42.3
231.17421	57.7
233.19069	3.0
305.21063	14.8
308.72382	2.5
432.81625	2.9
459.31232	4.1
477.28296	9.2
477.33151	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	16.0
55.05508	78.3
57.03432	12.9
57.98679	3.7
65.03963	5.9
67.05501	74.3
69.03431	10.6
69.07069	19.7
71.04977	6.2
71.14185	6.1
71.14531	4.4
79.05486	79.1
81.03420	45.9
81.07052	64.9
83.04978	11.8
83.08598	28.0
85.02892	10.9
85.06556	4.5
86.59818	3.2
87.98786	3.3
88.51418	4.5
91.05469	61.2
93.07036	44.8
95.04950	39.3
95.08600	34.3
97.02866	5.0
97.06530	10.6
97.10163	54.3
105.01868	12.1
105.07027	41.1
107.04948	48.3
107.08595	41.3
109.02927	4.4
109.06503	17.9
109.10141	20.1
111.04468	4.1
111.08056	5.5
115.05460	8.3
117.06998	23.7
119.04926	5.4
119.08601	21.0
121.06516	43.3
121.10168	11.1
123.08079	13.1
123.11688	4.4
125.09623	45.8
127.03900	6.6
128.06219	4.7
129.07013	20.5
131.04932	4.1
131.08572	28.2
133.06487	22.4
133.10147	19.9
135.08012	19.7
135.11673	5.9
141.06949	7.4
143.08553	12.7
145.06473	21.9
145.10139	13.8
147.04446	7.1
147.08032	11.9
147.11650	16.0
149.09627	13.6
149.13306	3.9
153.09081	14.8
155.08537	7.1
157.06505	6.0
157.10167	10.8
159.08080	4.5
159.11615	6.0
161.05960	9.4
161.09642	6.5
163.11180	9.4
167.08563	3.4
169.10075	7.5
171.08051	8.5
171.10199	4.8
171.11653	10.1
173.09641	10.1
175.11218	9.6
175.14891	3.6
176.15085	6.3
183.11652	4.4
185.09622	6.6
185.13210	5.1
187.11209	4.0
187.14920	6.4
189.11221	28.3
189.12735	5.6
193.12230	27.8
194.16257	7.5
197.09769	4.8
197.13190	6.1
199.11198	7.7
205.12210	6.8
211.13243	9.4
211.16933	11.2
212.17258	12.2
215.10689	4.2
215.14322	7.7
217.12157	5.7
225.12805	4.6
227.12723	20.6
231.13890	5.0
233.15382	24.4
239.14345	4.5
241.14410	7.2
243.13823	4.1
245.15302	8.2
249.14830	5.3
255.13823	6.2
259.13391	6.1
267.15915	15.0
273.14835	18.7
287.16357	5.5
291.16034	4.1
331.43030	3.7
339.23267	7.4
341.20990	4.6
349.21634	16.0
357.24194	14.6
367.22626	60.7
385.23691	100.0
403.24768	30.2
429.21219	3.9
433.25851	8.6
441.26373	7.1
459.27396	88.3
477.28403	61.7
478.28696	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12955	2.8
52.14336	2.5
53.03930	12.0
55.01868	21.9
55.05503	92.9
57.03437	18.2
57.07065	2.9
65.03926	6.9
67.05498	92.5
69.03421	18.3
69.07061	27.6
70.86008	3.0
70.86329	6.8
71.04988	15.1
73.69583	2.6
79.05482	93.1
81.03407	78.6
81.07045	80.9
83.04966	26.2
83.08610	50.3
85.02892	21.8
85.06528	12.1
91.05467	73.2
93.07030	55.9
95.04953	49.6
95.08589	39.6
97.02866	9.7
97.06522	15.7
97.10152	56.8
99.04475	5.4
99.08093	3.6
105.07011	54.3
107.04940	48.2
107.08582	43.0
109.02843	5.8
109.06508	14.4
109.10146	36.6
111.04414	5.3
111.08051	14.6
115.05427	5.9
117.07009	24.0
119.04926	5.7
119.08559	40.3
121.06506	43.4
121.10136	16.7
123.04407	5.1
123.08035	11.4
123.11682	12.7
125.05984	3.5
125.09622	45.6
127.03903	4.1
127.11109	3.5
128.06192	6.1
129.06982	26.7
131.04953	6.3
131.08574	28.9
133.06485	16.0
133.10115	24.2
135.04375	3.5
135.08055	18.3
135.11655	12.2
137.09570	5.9
139.07501	3.6
141.06937	6.1
142.07721	5.9
143.08545	11.0
145.06474	26.3
145.10072	16.2
147.04398	6.3
147.08060	16.6
147.11665	24.0
149.05919	4.1
149.09612	13.7
151.11211	4.4
153.07060	3.2
153.09103	14.6
153.12698	5.8
155.08525	10.2
157.06511	4.6
157.10109	17.6
159.08057	11.6
159.11693	5.5
161.05898	4.3
161.09656	6.6
163.11186	10.3
165.01775	3.3
165.12755	5.9
167.08583	2.9
167.14276	3.9
169.06467	4.3
169.10167	4.8
169.12242	8.3
171.08063	8.3
171.11685	7.3
173.09593	10.0
175.07567	4.3
175.11200	17.6
181.10178	5.2
183.11673	5.1
185.09621	4.4
185.13229	4.0
185.15393	4.9
187.11165	6.3
189.09009	3.7
189.11192	24.2
189.12695	4.4
193.12210	51.8
195.11638	5.5
197.13335	3.6
199.11221	7.8
202.76317	3.1
205.12257	6.0
209.15295	3.5
211.11400	4.8
211.13249	28.4
211.16891	22.8
213.12830	3.5
215.14319	8.3
217.12318	5.0
223.11246	4.1
223.13179	6.7
227.12613	17.8
229.17918	27.0
231.13849	3.7
233.15326	19.3
237.12686	3.7
241.14279	6.6
245.15367	6.5
249.14774	7.9
255.13718	4.4
259.13126	3.5
267.15848	21.2
273.14752	18.7
287.16580	3.2
291.15936	4.5
294.62231	3.0
297.18414	3.2
298.04605	5.6
313.07034	23.1
321.22058	4.8
328.05917	2.9
337.07062	3.0
339.08649	3.3
339.23090	10.8
343.08249	2.9
349.21362	20.9
353.10193	6.9
357.24271	11.6
367.22653	65.5
368.23016	3.2
375.25006	4.5
381.09506	5.0
385.23697	100.0
386.23776	4.8
403.24713	32.0
409.09085	13.7
427.10263	14.1
431.27762	3.8
433.25812	7.3
441.26208	8.3
459.27399	83.6
463.00583	3.2
477.28424	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	17.1
55.05507	70.4
57.03428	14.0
67.05500	71.1
68.71912	3.1
69.03434	14.3
69.07052	22.0
69.64575	24.8
71.04987	5.7
79.05482	86.5
81.03408	59.0
81.06599	4.9
81.07048	61.5
83.04964	12.9
83.08603	39.3
85.02890	9.4
91.05468	68.9
93.07036	51.2
95.04952	36.4
95.08601	35.5
97.02908	4.1
97.06500	13.6
97.10157	43.3
99.37959	2.6
103.05453	3.8
104.22368	2.7
104.74777	2.8
105.07009	48.6
106.47961	2.8
107.04942	41.9
107.08588	39.1
109.02924	3.3
109.06471	14.0
109.10143	23.9
111.04388	3.7
111.08084	10.4
113.06006	3.0
115.05482	3.1
117.07016	26.0
119.08551	25.9
121.06496	39.1
121.10113	17.6
123.04435	4.7
123.08051	12.4
123.11697	5.3
125.09618	41.5
128.06168	4.1
129.06992	22.3
131.04875	5.9
131.08536	23.4
133.06525	15.5
133.10115	14.7
135.08018	17.2
135.11676	8.0
137.09567	6.0
139.11200	3.0
141.06989	7.6
142.07794	4.4
143.08559	14.1
143.10721	3.4
145.06487	17.8
145.10098	17.2
147.04413	3.2
147.08064	16.1
147.11668	15.7
149.06056	4.3
149.09602	8.8
149.13217	3.5
151.07587	5.0
151.11098	3.1
153.09102	9.7
155.08508	5.2
157.06468	6.0
157.10091	14.1
159.07985	11.0
159.11641	7.8
161.05972	5.5
161.09584	7.9
163.11110	7.3
165.12677	4.0
167.08601	4.1
169.10104	4.9
171.08026	10.0
171.10246	4.8
171.11665	7.4
173.09479	6.5
173.13193	4.6
175.11172	11.3
177.12863	3.3
179.08475	3.2
179.10672	3.4
181.10135	2.8
183.11674	7.0
185.09601	4.5
185.13307	3.2
187.11186	5.4
187.30246	2.9
189.09583	4.4
189.11205	26.5
189.12733	4.1
193.12253	30.0
195.11714	3.0
197.13249	5.8
199.11139	6.4
205.12219	4.0
211.13260	9.3
213.12781	5.5
215.14284	5.1
217.12144	6.8
223.13138	4.1
225.12738	3.3
227.12663	23.8
233.15312	26.4
241.14250	3.5
245.15398	4.2
249.14735	5.1
255.13782	3.7
267.15854	20.9
273.14944	16.1
289.18106	4.5
321.22046	5.3
327.08667	9.8
339.23117	10.1
341.21121	5.3
349.21524	16.0
357.24069	11.9
359.22650	3.2
367.22549	40.2
385.23700	84.4
391.91663	4.2
403.24768	39.5
409.08966	6.7
433.25616	6.9
441.26221	10.0
459.27374	100.0
460.27866	4.2
477.15543	3.2
477.28555	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.4
53.77884	3.0
55.01865	18.3
55.05265	4.0
55.05505	56.9
57.03434	17.5
60.17428	2.6
65.03928	4.3
67.01118	2.4
67.05495	74.2
69.03410	12.2
69.07054	26.4
70.94855	4.7
70.95193	6.1
71.04984	5.2
79.05485	72.1
81.03405	49.6
81.07047	61.3
83.04961	10.8
83.08613	35.2
85.02882	5.9
85.06536	6.4
91.05465	54.0
93.07025	44.4
95.04961	37.4
95.08593	36.3
96.62653	2.6
97.06514	11.1
97.10158	56.7
103.05494	5.2
105.07014	42.6
107.04935	38.0
107.08592	30.9
109.06523	13.5
109.10151	22.8
111.04436	3.0
111.08050	11.2
115.05415	6.9
117.06985	18.3
119.04903	2.9
119.08543	29.6
119.63595	2.6
121.06490	44.4
121.10120	17.6
123.04392	4.9
123.08044	9.6
125.06010	3.5
125.09601	39.5
128.06189	4.3
129.06969	19.0
131.04897	8.0
131.08545	28.4
133.06499	13.9
133.10094	12.3
135.04407	3.6
135.08031	16.9
135.11658	5.9
137.09602	4.4
139.07532	3.2
141.06950	6.9
143.08548	17.0
143.10716	3.9
145.06470	25.3
145.10117	14.9
147.04454	5.8
147.08035	14.3
147.11676	16.2
147.92285	2.8
149.05998	3.4
149.09651	13.2
153.09077	11.2
155.08537	7.6
157.06467	9.9
157.10100	13.2
159.08040	12.0
159.11661	7.0
161.05956	7.9
161.09668	6.2
161.13316	4.0
163.11220	5.1
167.08522	6.0
169.10101	6.8
171.08060	5.4
171.11656	9.0
173.09605	8.0
173.13223	4.3
175.11125	9.3
177.12810	4.1
183.11623	5.6
185.09555	6.4
185.13153	4.8
187.11192	3.5
187.14812	6.0
189.09578	3.7
189.11221	23.0
189.12703	5.4
191.14256	3.5
193.12186	28.6
195.08131	2.9
195.11652	5.6
197.05986	2.9
197.13274	6.0
199.11241	7.0
203.14368	3.0
205.12218	4.6
211.13271	7.4
213.12726	8.0
215.14339	8.7
217.12129	2.9
225.12790	4.1
227.12627	27.5
231.13786	6.0
233.15294	27.6
235.13289	4.0
239.09268	2.9
245.15355	6.0
249.14977	3.8
255.13734	3.3
259.09747	2.8
267.15884	17.9
273.14835	13.9
275.16248	4.5
287.16464	4.1
313.07065	3.2
339.23190	10.3
341.20990	9.4
349.21695	15.1
357.24106	13.0
367.22699	44.5
368.22473	3.5
375.25458	5.2
385.23694	77.4
386.24011	5.5
395.25333	3.9
403.24701	34.9
421.25693	3.3
431.27853	3.5
433.25632	10.7
441.26260	9.5
459.27399	100.0
460.27710	4.1
477.17480	3.7
477.28421	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.8
55.01874	1.2
55.05494	1.3
56.02633	0.3
57.03422	1.5
59.04957	0.4
67.01837	0.3
67.05495	1.6
68.99783	0.6
69.03420	1.8
69.07029	0.9
71.04984	3.8
71.74651	0.4
73.06520	0.3
74.69878	0.2
79.05486	1.4
81.03400	1.6
81.07035	1.7
81.55882	0.2
83.04929	0.3
83.08587	0.5
85.02858	1.0
86.91777	0.3
87.04420	0.3
89.03903	0.2
91.05445	1.6
93.03367	0.3
93.06996	1.0
95.04924	0.9
95.08555	0.6
97.02229	0.3
97.02827	0.6
97.06519	1.4
97.10121	0.7
97.10720	0.2
99.04432	0.4
105.07022	1.3
107.04903	0.9
107.08537	1.1
109.02849	0.4
109.06490	0.3
109.10134	0.4
110.87467	0.3
111.08020	0.3
117.03344	0.4
117.06969	0.3
119.08551	0.7
121.02822	0.5
121.06454	0.5
121.10116	0.7
123.00782	0.8
123.04328	0.3
123.08004	0.3
125.02330	0.4
125.05947	0.5
125.09570	0.9
127.03883	1.1
129.06979	0.4
131.04890	0.3
131.08557	0.3
133.02878	0.3
133.06425	0.7
133.10025	0.6
134.10391	0.5
135.04321	0.3
135.07988	0.4
136.70218	0.3
137.02274	0.7
141.01801	2.5
141.06900	0.4
145.06508	0.3
145.10065	0.2
147.11574	0.3
149.02335	0.5
149.05936	3.1
151.03879	6.6
151.05040	0.2
153.01718	0.4
161.02287	0.4
161.05933	0.4
163.00243	0.6
163.03883	1.2
165.01813	11.6
166.02275	0.3
167.03366	1.1
169.01266	0.7
173.02382	0.4
175.03868	1.1
175.11124	0.4
177.01785	0.5
177.05458	0.4
179.03319	0.9
181.01320	1.6
181.04893	0.3
183.02867	8.4
187.03934	0.5
189.01810	0.6
189.09256	0.3
189.11195	0.3
191.03323	0.5
193.04991	0.5
193.12167	0.6
195.02852	0.5
197.00751	1.1
205.04906	1.1
207.02902	0.5
209.00699	0.5
213.05370	0.3
215.03258	0.4
215.06966	1.0
217.04916	0.5
229.04817	0.3
233.04391	1.0
243.06506	0.7
244.03424	0.3
251.05461	1.3
253.04904	0.3
254.05708	0.4
258.05170	1.5
259.05859	0.5
259.09631	0.8
261.03894	0.8
266.05704	0.4
267.06451	0.4
268.07260	0.9
269.07974	0.4
270.05215	5.7
271.05994	1.5
273.14844	0.3
279.04999	0.3
281.04382	0.5
282.05209	4.1
282.08533	0.5
283.05923	0.4
284.03174	1.0
284.06711	2.5
285.07413	0.6
286.04688	6.6
286.07919	0.5
287.05215	0.3
292.07150	0.9
294.05234	1.5
295.05829	0.9
296.03406	0.5
296.06726	5.8
297.07437	2.2
298.04675	27.8
299.05292	1.5
300.06268	2.5
301.07007	13.5
302.07370	0.6
307.09601	0.3
309.07483	2.2
310.04636	6.1
310.08310	7.6
311.05359	2.4
311.09073	5.1
312.02560	2.8
312.06213	7.0
312.09811	0.5
313.07004	100.0
314.04089	4.7
314.07593	7.4
315.13510	0.6
320.06790	2.0
322.04672	2.2
323.05371	0.7
324.02536	0.7
324.06165	6.6
325.07022	10.5
325.10580	1.0
326.04068	1.1
326.07620	1.1
327.04852	4.3
327.08569	10.4
328.02020	0.4
328.05716	5.6
329.06494	40.3
330.03439	0.3
330.06955	1.5
335.09024	1.2
337.07007	6.9
338.04083	2.8
338.07736	14.1
339.04822	2.8
339.08569	11.8
340.05487	0.6
340.09055	0.4
341.06522	9.5
341.10236	1.6
342.07196	1.2
343.08063	23.7
344.08289	0.8
345.05991	0.3
348.06201	3.0
349.06879	0.3
350.03848	0.3
350.07870	0.4
351.08514	0.8
352.05701	1.2
352.09567	0.4
353.06354	8.0
353.10150	28.7
354.10458	1.0
355.08035	3.1
359.07635	0.6
363.08582	5.1
364.08984	0.3
365.06390	1.7
365.10397	0.7
366.07230	4.5
367.04254	3.5
367.08102	6.0
367.22662	1.0
368.04913	0.3
369.05878	0.3
371.07550	1.0
371.11548	0.6
376.05557	1.2
380.08835	0.8
381.09622	36.1
382.09946	1.2
383.07526	3.9
385.05402	1.0
385.23685	1.2
391.08005	3.5
394.06708	3.3
395.11179	1.0
399.10760	3.5
403.24777	0.4
408.08212	0.7
409.09106	63.2
410.09409	2.8
423.10678	6.9
424.11121	0.3
427.10172	51.0
428.10635	1.9
441.11761	6.3
445.11224	7.7
459.12729	0.9
459.27377	1.1
477.14221	0.3
477.28250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01857	0.4
55.05506	8.7
57.03436	7.9
57.07063	0.8
62.06084	0.4
65.03931	1.4
66.03294	0.3
67.05499	30.7
68.05824	0.8
68.71213	0.3
69.03425	0.3
69.06685	0.5
69.07059	7.8
71.04995	0.5
71.35949	0.5
71.36287	0.5
79.05486	15.4
80.05801	0.5
81.03410	0.5
81.07048	27.8
82.07381	0.5
83.04984	0.8
83.08606	2.6
85.06540	0.7
88.73191	0.3
91.05472	7.6
93.07037	15.1
94.07395	0.4
95.04954	2.2
95.08598	19.0
97.06525	1.2
97.10162	1.0
98.06023	0.4
98.98450	0.5
99.08095	0.4
105.07031	5.4
107.08582	7.1
109.06508	0.9
109.10146	7.4
111.08067	0.4
116.18667	0.3
117.07006	1.5
118.97997	0.3
119.08590	3.7
121.10136	5.8
123.08004	0.3
123.11743	1.6
124.01588	0.6
125.09638	0.3
131.08556	2.1
133.10127	2.5
135.11696	2.7
137.13228	0.4
145.10112	2.4
146.38026	0.3
147.11667	2.3
149.13240	1.3
151.11174	0.4
153.01781	0.4
159.11699	0.7
161.13248	1.3
173.13264	1.1
175.14799	0.4
196.24205	0.3
201.11194	0.7
216.06277	0.6
216.57367	0.3
223.15002	0.3
246.25230	0.3
259.20602	0.5
304.26318	2.2
335.25772	100.0
336.26123	4.2
477.15350	0.9
499.29016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01872	1.4
55.05500	11.2
55.51175	1.1
57.03425	5.1
57.07051	1.6
62.06082	37.6
65.03933	1.8
66.61292	1.0
67.05495	44.0
68.05822	1.2
69.07053	10.6
71.08607	1.4
71.75047	1.4
77.03912	1.4
79.05481	24.8
80.05817	2.0
81.03412	1.8
81.07045	39.7
82.07368	4.0
83.04963	1.7
83.08619	6.0
88.10352	1.2
91.05460	15.6
93.07027	25.0
95.01376	1.0
95.04951	2.5
95.08594	23.8
97.06490	1.8
97.10143	1.7
98.06045	3.0
98.98460	12.0
99.08076	1.2
105.07011	11.6
106.07344	1.8
107.04968	1.4
107.08585	12.1
108.05229	1.1
109.06510	3.7
109.10130	10.9
111.08110	1.7
117.06989	3.1
119.08580	8.3
120.08892	1.0
121.06470	1.5
121.10138	9.4
123.08034	1.3
123.11655	2.1
124.01595	2.3
131.08568	5.9
132.08852	1.2
133.10130	7.7
134.10461	1.3
135.11661	5.6
142.02657	2.2
145.10103	3.5
147.11667	6.4
149.13239	1.9
151.11200	1.0
153.01807	1.5
155.00993	3.2
157.10139	1.0
159.11668	2.5
161.13258	2.6
163.14873	1.2
173.02089	3.3
173.13129	1.4
198.05238	1.9
201.11096	1.2
216.06310	4.0
243.21100	1.9
261.22031	6.1
275.20154	1.6
276.20380	2.8
304.26334	17.3
306.96738	1.2
335.25748	100.0
336.26160	6.4
361.38452	1.1
458.26828	4.4
476.27634	1.9
477.15549	5.4
477.21707	1.2
477.29053	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01859	0.9
55.05502	7.2
57.03199	0.5
57.03432	6.9
57.07059	1.7
65.03918	1.3
67.05498	34.3
68.05827	0.6
69.03401	0.5
69.07066	6.7
70.94864	0.9
70.95224	1.0
71.04991	1.1
71.47643	0.5
79.05484	16.0
81.07048	28.2
82.07352	0.6
83.04932	1.0
83.08603	2.9
85.06519	1.3
91.05464	10.8
92.05776	0.6
93.07030	21.5
94.07364	0.7
95.04969	2.6
95.08593	18.5
97.06501	1.3
97.10150	1.5
97.46851	0.5
98.06039	0.7
98.98434	0.6
105.07012	6.8
107.04918	0.5
107.07901	0.7
107.08579	9.2
109.06491	0.8
109.10152	5.8
117.07016	3.1
119.08595	3.6
121.10137	6.5
123.11670	3.2
129.05431	0.9
129.06960	1.1
131.08545	5.7
133.10123	3.4
135.07990	0.7
135.11693	4.3
137.09595	0.8
137.13268	1.1
145.10085	3.5
147.11659	2.3
149.09636	0.8
149.13222	2.7
151.14848	0.6
159.11665	2.1
161.13211	1.6
163.11145	0.9
163.14806	1.5
173.13245	1.8
177.12708	0.6
187.14742	1.4
196.47925	0.5
206.20120	0.5
216.06291	1.2
243.21051	1.9
261.22122	2.6
270.53342	0.5
304.26373	2.8
317.24631	1.1
335.25754	100.0
336.26031	5.0
427.11084	0.5
477.28363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01866	2.4
55.05497	5.1
55.13819	1.4
57.03425	2.6
60.04522	15.8
62.06090	1.9
67.05495	7.4
69.03423	10.2
69.07065	5.4
69.49937	3.1
69.50342	11.5
70.06567	1.5
71.04976	4.5
71.08625	7.0
71.15737	1.2
72.08128	1.7
73.02909	2.3
79.05480	6.3
80.05003	1.8
81.03409	8.6
81.07041	16.9
82.06593	2.1
83.08605	7.7
84.04508	1.7
84.36211	1.4
85.02910	17.9
86.06064	11.1
87.00829	5.1
91.05470	6.8
93.07042	8.9
94.06566	3.8
95.04958	3.0
95.08594	14.5
96.08163	1.7
97.02886	8.6
97.06505	4.7
98.09687	3.2
99.04459	2.1
99.08099	12.1
100.11247	12.5
105.01865	7.3
105.07006	10.1
107.08574	9.2
108.08107	4.6
109.02856	5.7
109.06507	7.2
109.10149	4.0
111.04436	2.8
111.08076	5.0
112.07571	1.8
113.09644	3.2
116.10722	5.4
119.08569	62.3
120.63954	1.4
121.10164	3.2
123.08038	1.8
123.11719	5.4
127.03910	16.3
128.10736	2.9
131.08621	1.5
133.10117	93.9
134.10522	2.1
135.08009	1.7
135.11671	18.8
136.07552	4.4
137.05992	8.0
142.08577	3.5
142.12257	2.2
143.10692	3.0
145.04956	6.3
145.10033	1.8
147.11664	3.3
154.08598	8.8
159.02864	2.6
163.03906	2.2
164.14322	1.5
170.11754	2.7
172.09714	4.1
173.02274	1.9
175.14810	100.0
176.15169	2.1
180.10193	2.2
182.15448	7.2
193.08542	7.1
193.15874	25.4
198.11250	43.6
210.14899	7.2
211.16922	22.2
216.12303	36.4
231.05046	2.7
314.19635	17.0
315.04935	6.2
360.16489	6.1
378.17404	4.8
422.28894	2.0
440.29962	9.2
458.31033	22.1
475.82297	4.1
476.25540	2.0
476.32245	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01857	5.5
55.05512	8.9
57.03431	6.1
57.07071	7.2
61.02908	7.1
61.07883	2.7
67.05503	9.5
69.03417	38.6
71.04979	3.5
71.08633	8.9
71.74787	3.2
73.02924	3.5
77.67793	2.8
79.05496	11.0
81.03407	40.7
81.07056	13.8
83.04997	3.8
85.02892	83.8
85.03389	5.2
86.19933	3.3
87.00817	35.3
91.05487	9.0
93.07009	7.1
95.04962	4.7
95.08624	6.5
96.05291	3.5
97.02879	59.2
97.03450	3.9
97.06525	5.4
99.04462	11.5
105.01856	98.8
105.07021	6.4
107.04933	4.3
107.08590	5.7
108.04498	7.6
109.02867	51.7
109.10155	8.5
119.08614	5.5
121.06558	2.8
126.05631	3.3
127.03903	100.0
129.01796	3.5
133.10216	3.6
145.04944	37.0
147.02837	3.8
148.03465	2.8
159.02863	7.4
165.09209	7.0
192.14799	3.9
210.14862	3.8
213.03963	9.0
231.04961	55.0
248.07715	7.3
249.06033	22.7
266.08688	22.7
302.17493	9.9
343.17554	4.0
354.71194	3.3
384.22211	5.8
385.23648	6.4
396.21915	6.6
429.82114	3.3
458.26315	3.9
476.27206	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93570	0.7
53.03920	2.0
55.01861	2.9
55.05523	0.7
55.48124	0.7
57.03420	1.5
57.62381	0.7
57.87036	0.9
60.04509	1.4
61.02917	1.7
69.03427	5.9
69.67789	4.4
69.68203	1.4
70.06580	3.0
71.04973	1.1
72.08144	1.5
73.02905	1.9
74.06072	1.6
79.05484	4.3
81.03405	6.1
84.04487	2.4
84.08133	0.8
85.02899	16.5
86.09693	4.6
87.00804	5.5
87.10039	1.1
88.49253	0.6
91.05466	3.0
94.83230	0.6
95.04930	1.4
95.08612	0.7
97.02884	5.7
99.04441	3.2
103.05463	5.0
105.01852	4.9
105.07017	38.0
108.04468	2.8
109.02872	6.1
115.05444	8.4
118.04167	2.5
120.25196	0.8
122.60221	0.7
123.04424	0.8
126.05505	2.0
127.03899	9.0
127.71956	0.8
129.01794	1.0
129.10202	0.9
131.04921	1.4
133.06470	41.3
143.06004	2.1
145.04926	4.0
159.02846	3.5
161.05954	100.0
162.06274	1.1
164.07037	0.9
181.98792	0.7
193.08585	96.9
194.08893	0.9
201.08614	0.8
201.76515	0.7
211.09634	0.9
231.05020	1.1
240.78133	0.8
248.07645	2.9
316.00064	0.9
357.57712	0.7
476.15991	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60959	1.9
53.03940	10.4
55.01871	11.4
57.03431	7.5
61.02917	7.1
68.99770	2.9
69.03422	38.1
69.64163	8.8
69.64595	6.9
71.04985	7.3
73.02924	11.0
73.92267	1.7
79.02592	1.8
81.03408	42.7
85.02898	100.0
87.00819	45.5
90.41046	1.8
91.03918	3.2
91.05469	2.6
97.02882	36.5
98.20632	3.0
99.04439	18.0
99.82005	1.7
105.01868	34.2
108.04486	7.2
109.02874	35.8
117.01817	2.7
119.04927	4.2
126.05518	4.6
127.03902	74.6
129.01854	6.1
137.05989	3.2
145.04945	33.0
147.02974	3.8
147.04398	5.5
148.02643	2.0
151.07532	3.4
155.03337	17.1
159.02882	27.1
170.05736	62.4
176.13055	2.1
177.05438	2.8
179.06987	10.4
183.06483	3.9
196.07343	4.9
209.08023	2.7
211.09637	76.7
231.04980	13.7
248.07631	5.5
251.97159	1.9
319.11746	2.6
457.54416	2.5
477.88031	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.7
55.01867	14.3
57.03434	7.3
61.02909	7.0
68.99791	6.3
69.03423	35.3
70.04192	8.6
71.04984	8.1
73.02905	9.9
81.03413	33.0
85.02899	100.0
87.00320	2.8
87.00819	37.0
87.04472	2.4
91.03945	2.6
91.05453	7.4
97.02883	42.8
99.04449	26.5
100.04787	2.9
101.12139	1.3
105.01849	33.1
108.04459	4.7
109.02874	43.1
115.03936	1.6
117.01865	4.3
119.04938	20.7
123.08054	2.5
127.03905	73.0
128.04227	1.7
129.01836	6.2
132.02913	1.4
145.04956	35.8
147.03046	2.5
147.04384	32.1
149.05891	1.5
151.07520	3.5
152.42764	1.4
155.03368	22.1
155.04504	2.4
159.02872	27.4
161.05994	1.5
170.05728	61.7
173.84254	1.7
177.05498	1.8
179.07016	34.1
183.06544	3.5
195.06190	2.6
196.07352	1.8
196.09030	1.4
209.08041	2.1
210.08401	2.4
211.09630	84.2
212.10132	1.6
213.04004	3.3
223.09747	1.7
227.09178	6.7
227.16298	1.7
227.99466	1.4
228.09441	8.7
228.16747	2.5
230.06548	1.7
231.04918	10.8
235.09547	2.5
248.07607	2.2
249.06093	1.7
270.31082	1.5
277.10843	2.5
301.10669	2.1
357.99948	2.6
376.01154	7.1
389.01749	1.4
391.03290	26.5
392.03809	2.2
394.01935	6.4
407.03018	1.7
409.04395	17.1
410.04636	2.1
470.99173	2.2
477.08157	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
54.74121	0.4
55.01847	1.0
55.05504	3.6
57.03413	0.9
57.07050	0.6
60.42248	0.4
65.03901	0.7
67.05495	9.2
69.03397	0.7
69.07061	2.3
69.73904	1.0
69.74324	1.6
71.04992	0.9
72.70226	0.4
79.05489	5.9
81.03410	5.4
81.06606	0.6
81.07048	9.9
83.04949	1.5
83.08604	2.1
84.04511	0.7
85.02908	0.5
85.06544	0.5
91.05463	4.6
93.07036	4.6
95.04950	3.5
95.08591	8.8
97.06512	1.2
97.10135	1.9
103.05439	0.6
105.01868	0.6
105.07014	3.0
106.65149	0.4
107.04948	2.5
107.08585	3.9
109.02863	0.9
109.06507	1.4
109.10149	7.8
111.04441	1.1
113.09693	0.4
117.07000	1.7
119.08582	3.7
121.06498	1.7
121.10120	2.3
122.07256	1.7
123.08044	1.0
123.11664	1.4
125.02322	0.5
125.09605	0.6
127.03909	0.5
129.05345	0.5
129.06984	1.2
131.04938	0.6
131.08553	1.8
133.06494	0.8
133.10081	1.3
135.08023	1.4
135.11682	2.2
137.09608	10.8
137.13264	0.5
141.06978	0.6
143.08527	0.5
145.06444	1.0
145.10118	2.3
147.04494	0.5
147.08015	1.1
147.11673	0.7
149.09587	3.6
149.13255	0.7
151.07571	0.6
155.08542	0.9
157.06459	0.7
157.10086	1.1
159.08086	0.8
159.11684	0.8
161.05975	1.4
161.09682	0.6
163.07584	0.5
163.11183	2.6
165.09097	100.0
166.09476	1.4
167.14310	0.4
171.08029	0.8
173.05975	0.5
173.09645	0.7
175.11186	1.3
177.09099	1.4
177.12729	0.6
179.10606	0.6
181.12172	0.7
185.13336	0.4
187.07597	0.4
187.11118	0.9
189.09024	0.8
189.11153	0.6
189.12701	0.6
190.09842	0.7
191.10558	0.5
193.12207	1.3
203.10616	1.0
205.12216	7.3
209.15364	0.5
211.54843	0.4
215.50409	0.4
227.12767	4.5
231.13751	0.8
247.13272	1.2
277.25073	0.6
289.14328	1.6
323.25900	1.1
355.22787	0.9
361.05753	0.4
365.21042	1.0
383.22116	5.4
384.22437	0.8
401.23184	3.0
429.33740	0.9
431.24344	0.5
439.24738	1.1
457.25836	3.2
475.26941	9.2
475.33801	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2688
Annotation	Lucidenic acid I
Peak:m/z	Relative Intensity
53.03926	5.6
55.01869	8.1
55.05278	2.3
55.05509	32.3
57.03410	6.5
59.04973	2.0
65.03907	1.9
65.35699	1.2
67.05497	43.4
69.03410	3.3
69.07071	10.0
70.34291	2.0
70.34690	4.0
71.04969	3.1
74.36205	1.4
75.83511	1.2
79.05486	39.8
81.03413	18.8
81.06603	2.2
81.07050	34.6
83.04962	5.8
83.08604	14.1
85.02882	2.5
85.06517	3.0
91.05470	29.8
93.07034	23.8
95.01312	2.0
95.04951	16.8
95.08598	18.6
97.06503	6.2
97.10148	16.5
97.61733	1.4
98.21376	1.6
103.05438	1.8
105.07024	20.5
107.04939	16.1
107.08585	19.9
109.02867	8.8
109.06490	5.7
109.10146	13.8
111.04440	1.9
115.05431	3.3
117.07020	11.3
119.04903	4.1
119.08567	13.7
121.02848	3.9
121.06499	7.7
121.10103	4.8
123.04407	4.4
123.08057	5.6
125.02315	4.5
125.09592	12.2
128.06190	2.6
129.06998	13.4
130.07747	1.9
131.04942	8.8
131.08540	15.3
133.06512	7.5
133.10120	8.3
135.04391	3.7
135.08012	7.2
135.11658	5.2
137.05952	2.9
137.09610	1.9
141.06950	5.8
142.07770	1.5
143.08540	8.5
145.06473	14.5
145.10130	10.2
145.86945	1.4
147.04387	6.6
147.08032	11.6
147.11667	2.6
149.05936	3.0
149.09558	6.9
151.07512	2.0
153.06915	1.5
153.09120	1.9
154.07748	1.7
155.08562	7.9
157.06500	5.1
157.10098	6.2
159.04417	2.6
159.08014	6.3
159.11649	3.2
160.05176	3.9
161.05963	27.7
161.09575	3.8
163.11253	7.4
163.12418	1.9
167.08479	2.5
169.06516	3.5
169.10083	5.6
171.08023	6.2
171.11664	2.4
173.05933	5.6
173.09668	9.3
173.11754	3.2
174.06795	1.5
175.07503	6.1
175.11194	3.6
181.06537	2.3
181.10023	2.2
183.08057	4.0
183.11649	4.8
185.05984	2.1
185.09593	4.3
185.13158	2.8
187.07468	4.3
187.11211	2.4
189.09093	4.1
189.11208	5.8
191.10629	1.8
193.10336	1.9
193.12262	5.3
195.11687	3.2
197.09630	4.4
197.13214	2.5
199.07542	2.3
199.11156	3.4
201.12721	3.3
203.14288	3.5
205.10289	1.7
205.12164	3.1
207.11716	1.9
209.09616	2.7
209.11520	1.8
211.11179	5.9
213.12697	3.6
215.10635	1.6
215.14326	1.6
225.12746	3.7
227.10706	1.9
227.12770	4.2
229.12273	1.6
231.13812	5.5
231.70906	1.4
237.11008	2.4
239.10622	1.9
243.13808	5.1
249.12599	2.1
251.14420	1.8
255.13698	2.9
257.15424	2.3
259.13339	2.3
269.15335	5.6
271.13297	7.2
273.14780	6.5
275.20053	2.0
285.14786	2.7
287.16345	2.6
289.14322	17.8
297.14645	2.3
303.16040	2.4
337.21509	4.6
347.20090	3.8
355.22568	8.8
365.21051	18.2
367.22723	1.7
375.22464	1.6
383.22131	83.9
393.24063	2.3
401.23209	35.9
402.23529	1.7
403.22617	2.8
411.25424	1.9
419.24194	3.7
421.23877	7.5
429.26172	1.9
431.24283	8.9
439.24802	11.5
457.25793	59.1
458.26218	1.9
475.26801	100.0
476.27209	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
54.86089	1.8
55.01861	9.7
55.05504	10.2
57.03434	2.3
57.07055	2.6
59.05005	2.5
61.02901	2.8
64.46205	2.0
67.05489	13.4
69.03419	19.6
69.07056	11.9
70.06573	6.0
71.01345	1.8
71.04984	15.1
71.73719	3.8
72.08135	3.3
73.02897	4.0
79.05479	11.9
81.03413	10.4
81.07038	22.3
82.45239	2.1
83.04969	7.3
83.08610	5.2
84.04490	4.1
84.08125	2.9
85.02888	19.9
85.06510	2.8
86.09696	9.3
87.00824	6.4
91.05463	8.8
93.07036	17.3
95.04948	4.7
95.08580	22.0
97.02874	7.3
97.06505	4.8
97.10159	10.2
99.04427	12.2
99.08083	4.6
105.01846	4.5
105.07011	10.9
107.04944	5.1
107.08577	45.2
109.02851	7.5
109.06510	8.8
109.10131	17.6
111.08077	6.5
115.03910	2.2
117.07006	2.8
119.08530	4.0
120.08125	2.7
121.06493	12.0
121.10143	19.4
123.08070	11.2
123.11707	5.4
124.80788	2.1
125.09606	19.3
127.03920	12.8
131.08574	7.8
133.10100	10.4
135.08043	12.6
135.11671	6.3
136.07564	2.1
136.68321	1.8
137.09589	4.7
139.11121	3.5
143.10680	2.2
145.04912	4.8
145.10114	2.5
147.11667	8.4
148.47852	1.8
149.09601	24.8
149.13222	12.1
151.07477	2.9
151.11160	14.2
153.09073	8.1
158.10904	1.9
159.02924	4.1
162.75021	2.0
163.07544	3.0
163.11185	2.3
163.14792	20.6
165.12740	3.2
168.83803	1.7
169.12193	2.8
173.13223	21.3
183.13789	2.5
187.45595	2.0
191.14290	51.1
209.15321	65.1
223.09554	9.6
224.09952	2.8
227.16376	100.0
228.16667	3.7
253.82588	1.9
313.07101	3.8
360.15143	2.3
451.98709	2.0
475.15509	5.0
475.21677	21.9
475.32251	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.5
55.01845	3.3
55.05501	1.4
57.03189	1.4
57.03428	15.2
61.02911	2.7
67.05486	3.2
68.99774	2.5
69.03418	15.8
69.07057	1.9
71.04648	1.5
71.04984	14.7
71.74039	1.3
72.08138	1.7
73.02901	3.8
81.03409	17.2
81.07024	2.7
83.08598	1.4
85.02898	26.6
85.06511	4.5
86.09685	4.0
87.00813	9.5
91.05463	2.5
93.07037	2.7
95.08590	2.9
97.02889	11.2
99.04446	52.2
105.01881	7.8
105.06991	4.3
107.08580	8.2
109.02877	13.3
109.06490	2.5
109.10122	3.6
113.09634	3.0
117.01816	1.9
119.08549	1.5
121.06502	3.2
121.10106	3.0
123.08054	7.0
123.11684	5.3
125.05992	1.3
125.09663	1.5
127.03894	20.3
129.01884	1.4
131.04915	2.0
133.10097	5.7
135.07967	1.5
139.11249	1.5
145.04935	4.7
149.05968	4.2
149.09590	2.0
149.13246	2.6
151.11124	2.4
153.05374	2.4
159.02869	6.9
159.04309	2.8
163.07501	3.8
167.10695	1.6
169.12218	10.3
170.05725	3.0
173.13234	3.0
177.05420	8.5
179.03403	5.7
179.07024	1.4
183.02823	1.2
183.13773	12.0
191.07034	2.1
191.14252	2.2
194.05713	27.8
196.59700	1.2
209.08058	17.1
209.15384	7.4
211.09735	1.8
212.06754	1.4
227.09113	100.0
227.16389	43.9
227.18660	2.2
231.04924	2.2
262.96307	1.5
355.01028	2.1
373.02039	1.3
376.00937	4.8
391.03278	16.2
394.02014	3.9
407.02890	1.9
409.04410	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.5
70.06583	1.8
70.99096	2.6
72.08125	1.7
77.25414	1.1
84.08169	1.6
86.09689	9.7
93.77454	1.1
102.05518	1.1
120.08053	1.5
131.00180	1.9
149.01199	1.7
161.05986	1.5
185.09392	1.3
189.04942	1.1
196.10654	1.4
239.05965	2.8
257.06842	2.5
293.05331	1.3
355.61661	1.2
475.15735	100.0
476.16144	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43484	2.1
55.05499	4.9
66.99075	2.2
67.05476	6.0
68.29707	2.1
69.03425	6.0
69.07043	8.0
69.49940	13.5
69.50374	8.3
71.04991	16.1
79.05476	5.6
80.46970	2.3
81.03403	4.1
81.07039	7.7
83.04950	2.6
83.08578	2.7
83.10665	2.2
85.02892	10.1
85.06516	9.5
86.09692	6.6
89.50682	2.2
91.05460	10.0
93.07026	13.9
95.04943	6.8
95.08586	15.4
97.02892	4.7
97.06521	21.6
98.20711	4.2
105.01849	5.2
105.07021	16.0
107.08567	19.3
109.02890	2.2
109.06489	8.0
109.10120	6.9
111.08073	5.7
117.07005	3.9
119.08595	11.5
121.10118	36.1
123.08029	5.6
127.03851	4.8
129.07014	3.6
131.08562	9.7
133.10115	100.0
135.08028	16.2
143.08553	4.8
145.10115	6.2
147.11649	18.7
149.09584	3.9
149.13206	13.5
152.63274	2.6
155.32195	2.3
158.10909	4.8
162.12735	2.4
163.11084	3.0
173.13245	28.9
191.14276	90.7
206.56723	2.3
209.15300	8.8
211.14680	2.3
214.17976	7.4
231.05017	2.7
282.05081	4.5
287.00125	2.6
298.04813	3.4
300.05801	2.8
302.24915	3.9
313.06985	15.4
325.06995	6.8
327.08606	3.7
328.05771	5.5
329.06564	3.7
331.49762	2.8
343.08163	28.3
351.08640	3.0
353.06555	3.9
392.78384	2.3
399.06934	5.2
415.10098	4.6
418.26254	2.4
425.08539	5.9
443.09540	7.3
474.14548	8.0
475.26923	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14777	1.2
51.30008	1.1
53.03930	1.6
55.01867	2.2
55.05505	1.4
57.03431	2.0
61.02942	1.6
64.15350	1.4
67.05498	4.9
69.03422	6.0
69.64991	11.2
71.04987	4.5
73.02911	1.6
79.05489	2.7
81.03412	4.4
81.07036	2.5
85.02892	12.7
85.06538	2.7
86.21826	1.4
87.00815	6.3
89.18503	1.4
91.05470	5.6
93.07012	3.0
95.04951	3.8
95.08583	4.6
96.03262	1.3
97.02898	4.9
97.06512	4.0
98.20771	3.0
99.04433	2.1
103.27374	1.4
105.01845	3.9
105.07036	14.0
107.08552	8.3
107.40303	1.4
109.02867	4.8
109.06509	57.2
109.10146	17.1
111.08065	1.3
117.07018	1.8
119.08585	6.7
121.10130	3.3
123.08053	7.9
127.03905	8.2
129.06961	1.9
131.08548	22.4
133.10120	64.5
135.08051	24.1
135.11678	2.1
143.08551	2.8
145.04982	1.9
145.10112	3.5
145.20094	1.5
147.11688	5.8
149.09641	3.0
149.13231	2.1
153.09099	2.8
153.59778	1.5
158.10905	4.4
159.02907	2.0
171.11858	1.5
173.13249	44.7
191.14290	100.0
192.14606	1.4
209.15361	34.1
299.55057	1.4
301.53210	1.5
456.29831	2.1
459.64514	1.4
498.73627	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	2.7
60.30559	1.2
62.39329	1.2
67.05477	5.1
69.03422	3.2
69.07045	5.2
70.23544	5.5
71.04981	14.2
75.32641	1.2
78.22417	1.1
79.05470	5.0
81.03397	2.5
81.07045	5.5
83.04996	1.5
83.08600	2.2
85.02904	6.8
85.06532	9.6
87.00809	2.3
91.05458	5.8
93.07035	11.6
95.04932	1.5
95.08585	13.8
97.02877	2.4
97.06519	19.8
105.01836	4.4
105.07015	15.1
107.07911	1.5
107.08585	19.8
109.06487	7.2
109.10113	3.3
111.08049	5.9
115.05433	1.6
117.06980	3.3
119.08554	7.9
121.06494	1.5
121.10130	29.1
123.08029	3.4
127.03875	4.0
128.06175	1.4
131.08551	8.2
133.10110	100.0
134.10487	3.2
135.08035	16.4
141.83624	1.3
143.08505	3.4
145.04980	1.8
145.10127	3.7
147.11671	19.6
149.09602	2.8
149.13234	21.5
158.09631	1.3
158.10916	3.3
173.11823	2.3
173.13240	25.5
191.14290	99.1
192.14589	3.7
196.31458	1.5
204.10364	1.2
205.32510	1.1
209.15331	3.2
231.04991	1.4
249.05867	1.2
474.14429	5.9
478.95065	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01842	1.2
55.05493	2.6
55.52310	1.0
57.03414	1.3
60.04513	1.8
62.51222	1.0
65.03929	1.6
67.05493	9.0
69.03412	5.6
69.07040	3.2
70.06590	1.9
71.04979	32.5
71.74738	1.3
72.63126	1.1
73.64966	1.0
79.05486	5.5
81.03382	5.5
81.07039	6.4
83.04930	1.9
85.02882	6.5
85.06540	2.8
87.00813	2.6
87.27370	1.0
91.05460	7.3
93.07016	4.9
95.04954	5.3
95.08597	6.0
97.02862	4.7
97.06503	6.3
99.04406	2.0
103.05434	1.2
105.01855	4.5
105.07001	11.6
107.08570	8.4
109.02862	3.4
109.06498	29.9
109.10144	12.9
111.04429	1.3
111.08064	1.3
115.05478	1.6
117.07001	3.0
119.08572	3.0
121.06485	1.2
121.10114	16.7
123.08048	100.0
124.08369	1.8
125.09606	1.1
127.03888	6.2
128.04239	1.5
129.06975	2.4
131.08542	22.8
133.10121	14.7
133.46901	1.1
135.08006	16.9
135.11583	1.3
137.05928	1.4
141.06978	1.3
143.08542	2.3
145.04900	2.1
145.10103	4.1
147.11696	1.3
149.06010	1.4
149.09583	3.4
149.13202	2.2
150.05435	2.2
151.07472	1.3
157.06380	1.1
158.10898	2.6
159.02936	1.4
163.03912	2.1
163.07532	1.1
164.07988	1.2
165.09163	1.5
168.12975	1.2
173.02336	1.4
173.13231	29.6
174.13591	1.2
175.07500	1.2
183.01102	1.2
184.07310	3.1
187.07460	1.2
191.07001	1.5
191.14278	82.2
192.14633	2.5
193.08517	1.3
197.08011	7.6
198.06700	1.4
198.08424	4.5
209.15337	10.2
215.06975	1.7
223.09499	1.7
224.09984	3.0
231.04976	1.4
237.11032	2.9
238.11508	2.1
259.09662	1.6
264.09692	1.3
270.89117	1.2
316.12558	1.6
343.08255	1.5
383.22006	1.5
474.14337	6.9
475.14951	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.0
55.01857	3.9
55.05229	2.4
55.05501	31.1
57.03431	30.2
57.06876	1.1
57.07073	11.6
57.99334	1.3
61.02919	72.6
67.05499	39.8
69.03424	35.6
69.07059	40.5
69.48878	1.2
70.63721	4.6
71.01348	4.5
71.04979	5.9
71.08626	4.7
73.02906	37.6
75.04477	2.2
79.05482	23.7
81.03407	24.4
81.07048	50.9
83.04977	4.7
83.08610	49.6
85.02896	72.7
85.06538	2.3
85.10155	2.1
87.04470	2.8
91.03357	1.8
91.03943	50.6
91.05470	6.5
93.07037	25.6
95.04959	3.9
95.08603	33.8
97.02883	66.4
97.06504	6.3
97.10156	17.3
99.04452	12.4
99.08087	5.7
101.02364	13.6
101.86578	1.4
103.03931	8.4
104.49586	1.6
105.06996	3.0
107.08572	18.1
109.02894	11.2
109.06532	1.7
109.10150	12.3
111.04401	1.4
111.08093	6.6
111.11742	3.4
112.57305	1.4
115.03926	6.5
117.05490	2.4
119.08564	3.7
121.10130	30.9
123.11710	9.7
125.09628	5.6
125.13253	1.8
127.03893	27.5
127.11179	1.7
129.05482	5.3
131.08531	3.1
132.49348	1.5
133.10094	3.3
135.11685	22.0
136.99969	1.8
137.13232	9.0
139.11162	4.2
145.04941	9.4
145.10088	2.6
145.73796	1.4
147.11696	2.3
149.13243	10.1
151.14737	1.4
155.00992	2.0
159.06541	3.7
159.11676	1.9
160.54944	1.4
161.01190	1.2
163.14804	3.4
176.74652	1.3
183.06564	4.0
201.07593	5.1
219.08780	1.4
219.21069	20.7
237.22086	33.3
311.25757	100.0
312.26111	4.2
339.25223	3.3
353.26495	1.7
385.29068	1.3
419.27917	2.1
437.28891	2.1
455.29846	4.3
473.31317	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.2
59.62909	2.9
64.51501	3.2
67.05482	5.8
67.97337	3.2
69.03424	18.6
69.50972	16.0
69.51414	15.0
70.06595	7.5
71.04984	6.0
72.08159	4.1
78.81576	3.5
81.03401	26.3
81.07034	15.7
85.02894	100.0
86.09693	26.1
87.00829	11.6
95.08601	6.3
97.02863	16.4
98.20718	5.8
99.04435	7.7
105.01878	8.9
105.07031	6.4
107.08567	4.5
109.02877	20.9
109.10127	11.2
112.66254	3.2
119.08599	4.1
121.10151	10.8
123.08028	3.9
123.11688	63.6
125.05984	9.1
127.03887	31.3
129.01685	4.0
134.01224	4.7
145.04936	8.6
147.11623	4.6
149.09608	10.2
151.07578	6.1
159.02936	5.0
163.03873	14.8
163.11176	5.4
167.10634	5.2
189.12753	10.8
207.13771	69.8
213.04132	3.4
225.14813	57.0
231.05005	4.4
388.31259	3.8
473.14188	4.1
473.20004	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.7
55.01871	3.8
55.05502	7.9
57.03416	4.4
57.07074	4.3
59.04995	7.7
67.05502	7.4
69.03413	19.3
69.07058	4.7
70.06557	4.2
70.09010	4.7
70.09411	12.6
71.04984	16.4
72.08139	22.5
78.07587	3.0
79.05475	11.6
81.02993	3.1
81.03395	18.6
81.07056	16.8
83.04966	9.9
83.08614	5.5
84.04492	4.7
84.08134	2.6
85.02890	32.4
85.06548	3.0
86.09695	32.2
86.64704	2.8
87.00806	14.4
87.04439	4.7
90.77914	3.1
91.05462	9.1
93.07005	14.7
94.12947	2.6
95.04964	9.4
95.08601	17.5
95.09103	2.9
97.02880	13.3
97.06518	13.1
99.04443	12.5
99.08050	5.1
105.01835	9.5
105.07012	23.5
107.08577	68.9
109.02848	17.5
109.06503	92.5
109.10169	4.1
111.08073	5.4
113.06002	8.4
119.08546	27.3
121.10115	46.3
121.13508	3.1
123.08049	75.5
123.11690	16.2
125.05999	6.0
125.09604	17.4
127.03900	24.4
127.07574	4.1
131.08543	9.7
132.10222	4.0
137.06020	3.4
137.09586	6.9
137.13171	4.1
139.11134	13.2
145.04866	4.4
145.10162	6.0
147.07990	3.3
147.11671	39.2
149.09598	100.0
151.07486	14.5
151.11163	5.6
155.10658	4.8
156.09293	5.8
159.02849	6.9
161.13234	8.7
163.11119	9.0
165.09047	4.6
165.12717	19.4
167.10622	24.3
171.11653	10.9
179.14243	14.6
183.13737	4.0
185.16467	7.0
189.12721	29.8
197.12810	3.4
207.13777	91.9
213.15997	5.2
225.14828	61.4
231.05045	4.2
231.17099	3.4
243.13400	13.1
249.14841	6.3
465.74557	3.1
473.14200	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.2
55.05497	4.9
57.03424	4.4
59.04982	9.0
61.33679	2.8
67.05482	6.0
69.03414	13.8
69.07056	6.2
69.62002	20.1
69.62407	6.1
70.06574	7.1
71.04981	9.3
72.08150	15.2
79.05478	11.5
81.03419	17.1
81.07041	16.2
83.04968	10.6
84.04491	8.0
85.02893	27.1
86.09704	36.8
87.00843	8.1
87.04438	8.6
91.05473	12.0
93.07034	10.8
95.04959	13.1
95.08604	18.4
97.02881	10.2
97.06516	15.4
99.04433	14.6
99.08070	5.0
105.01852	11.7
105.07009	20.9
107.08580	67.6
109.02843	11.5
109.06509	88.2
109.10144	5.0
111.08036	5.9
111.14492	3.0
113.06029	6.9
119.08557	26.1
121.06520	3.8
121.10143	43.3
123.08056	63.8
123.11708	14.5
125.05976	6.8
125.09619	16.5
127.03906	23.1
127.07526	5.7
131.08572	10.0
132.49249	3.4
135.11703	7.6
137.09583	5.3
137.13235	5.2
139.11169	10.0
143.08511	3.8
145.04971	4.3
145.10098	6.3
147.07983	3.5
147.11667	45.1
149.09598	100.0
151.07553	19.2
151.11168	5.5
156.09329	6.4
159.02911	5.7
161.13246	5.8
163.11156	3.7
165.09076	5.2
165.12776	16.9
167.10686	29.1
171.11696	11.8
179.14259	17.1
183.13779	5.7
189.12709	29.8
201.12410	3.8
207.13792	95.4
225.14835	53.8
231.05086	3.9
243.13417	13.4
375.04471	3.5
401.15747	3.7
473.14319	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.6
53.03931	2.7
55.01860	3.7
55.05507	21.2
57.07070	11.5
65.03919	3.9
66.44151	1.5
67.05498	27.9
69.03411	4.2
69.07061	12.8
69.55215	13.9
71.08623	2.5
77.03932	2.0
79.05074	1.9
79.05487	20.5
81.03422	1.5
81.07051	20.9
83.08612	7.1
85.10164	1.6
91.05472	26.9
93.07030	15.1
95.04971	5.2
95.08598	17.3
103.05456	3.1
105.07035	15.7
107.04955	13.5
107.08587	5.4
109.10138	3.1
115.05443	9.6
116.06248	1.8
117.07008	15.5
119.08540	9.3
121.06505	2.1
121.10145	3.3
123.11680	2.8
127.05418	1.5
128.06187	11.0
129.06976	17.9
131.04880	2.4
131.08539	10.3
133.06474	5.0
133.10124	2.2
135.11652	1.5
141.06949	13.6
142.07747	3.8
143.08548	7.4
144.05740	3.0
145.06485	9.6
145.10133	3.9
152.06219	5.6
153.07004	12.5
154.07764	3.7
155.08565	14.7
157.06473	2.8
157.10158	5.0
159.08055	17.2
159.11670	1.5
161.13365	1.5
163.14851	1.4
165.06990	22.4
166.07761	6.9
167.08574	20.1
168.09277	2.4
169.06433	3.4
169.10146	7.0
171.08028	5.1
171.11682	3.4
172.39644	1.3
173.09631	3.7
177.06944	2.3
178.07750	16.0
179.08537	19.9
180.09343	4.8
181.06587	2.3
181.10110	10.7
183.08022	5.4
183.11748	2.4
185.09563	2.9
189.06972	5.5
190.07739	10.8
191.08546	22.0
192.09355	4.5
193.06461	3.0
193.10133	15.3
194.07278	1.7
194.10715	1.6
195.08015	6.6
195.11679	3.7
196.08850	1.8
199.54477	1.5
202.07767	15.2
203.08534	28.1
203.10289	2.4
204.09338	12.5
205.10089	22.7
206.10925	2.2
207.08086	5.4
207.11717	8.8
208.08806	2.3
209.09618	3.6
209.13066	1.6
211.14873	1.8
215.08562	20.6
216.09355	9.2
217.10107	19.0
218.07204	2.3
218.10904	4.5
219.08093	8.4
219.11650	16.9
220.08734	2.4
220.12593	3.1
221.09584	7.1
221.13181	3.6
223.11194	2.6
226.07773	1.9
227.08543	4.3
228.09332	11.2
229.10132	14.7
230.10912	6.1
231.08029	4.5
231.11620	13.1
231.20952	1.7
232.08798	3.5
232.12331	2.7
233.09549	13.9
233.13275	6.7
234.10365	5.3
235.11162	4.2
235.14896	1.8
240.09261	3.4
241.10089	7.8
242.10876	4.4
243.11638	11.4
245.09586	4.1
245.13263	7.8
246.10355	2.6
246.14035	1.8
247.11220	11.1
247.14790	2.8
248.11909	2.4
253.10066	2.1
254.11003	2.3
255.11560	7.8
256.12439	2.3
257.13251	7.2
257.18985	7.9
259.11230	2.6
259.14771	4.0
260.11783	1.6
261.12842	6.9
263.18143	1.6
265.19577	2.2
269.13196	2.7
270.13959	2.4
271.14877	3.1
273.12686	2.6
275.14285	1.8
277.19351	1.7
289.19504	2.4
291.21207	2.2
299.18265	1.5
301.19284	2.6
303.17535	1.8
303.21103	4.4
305.22656	1.7
307.20569	1.7
313.19629	2.5
315.20999	3.4
317.22717	3.9
319.20688	2.0
321.22064	2.7
327.21213	2.5
329.22684	3.2
331.20575	9.1
331.24149	3.0
332.21405	3.5
333.22046	4.9
341.22470	3.5
343.24319	1.6
345.21976	7.0
355.24271	4.5
359.23746	3.4
372.24609	2.4
373.25354	6.8
387.26941	1.7
427.33267	1.8
441.35068	2.1
443.36819	2.7
453.35196	8.4
471.36209	100.0
472.36472	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68792	2.2
53.03933	9.0
55.01860	6.5
55.05505	29.1
57.03433	29.5
57.07055	10.5
59.02230	2.3
61.02919	63.7
62.34869	2.1
63.28962	2.2
65.03915	3.2
67.05499	80.5
69.03419	33.2
69.07056	36.0
69.62388	2.5
70.58480	4.3
70.58877	4.5
71.01345	3.1
71.04964	6.8
71.08627	5.0
71.18636	2.1
73.02908	27.6
79.05485	31.5
81.03411	24.4
81.07046	100.0
83.04966	6.3
83.08611	19.1
85.02896	67.6
85.06516	4.2
85.10133	3.7
87.04447	5.3
91.03949	44.2
91.05458	34.5
93.07039	35.2
93.46984	2.4
95.04967	6.6
95.08601	60.7
97.02885	59.2
97.06519	7.1
97.10159	9.1
99.04453	12.3
99.08073	10.4
101.02376	13.0
103.03945	11.9
105.06995	22.1
107.08581	21.8
109.02859	9.8
109.10145	27.8
111.08074	4.1
113.06013	2.4
113.09601	4.5
115.03918	4.2
117.05493	2.6
117.06998	6.3
119.08563	23.3
121.06544	3.1
121.10129	23.8
123.08096	2.4
123.11711	18.0
125.09608	8.1
127.03883	24.2
129.05499	6.7
129.07056	4.1
131.08562	9.1
133.10107	20.6
135.08060	2.3
135.11682	18.2
137.09604	2.9
137.13222	9.9
143.08566	3.0
145.04942	8.8
145.10115	8.3
147.11649	13.8
149.13245	7.0
151.11180	7.5
151.14815	4.1
153.12785	2.9
157.10132	3.7
159.06487	2.4
159.11699	5.4
161.13261	10.0
163.11185	3.8
168.12550	2.7
173.13185	3.9
175.11086	2.8
175.14833	7.8
183.06622	3.4
185.13165	4.0
187.14798	3.7
189.16167	3.2
201.16444	2.8
210.42574	2.4
213.16422	3.0
215.17931	2.9
217.19473	24.3
219.17332	2.8
229.19623	3.0
233.19006	2.7
235.20540	21.5
285.09735	2.4
301.21512	2.5
309.24207	89.8
311.88998	2.2
336.19675	2.2
337.23621	2.9
343.22720	3.4
385.84268	2.5
417.26117	4.1
453.28156	7.2
471.29526	22.2
472.30380	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	11.1
53.15337	2.9
55.01858	10.3
55.05501	27.9
57.03189	3.6
57.03432	36.6
59.04975	3.1
61.02921	76.6
65.03922	5.9
66.47649	2.9
67.05496	100.0
69.03420	60.8
69.07060	25.3
71.01326	7.1
71.04971	12.3
71.74889	4.6
73.02901	26.2
74.99841	2.9
75.04460	3.9
79.05484	95.5
81.03410	43.0
81.07045	88.0
83.04966	9.8
83.08591	14.1
85.02897	81.7
85.06540	4.2
87.04477	4.1
89.79435	2.7
91.03945	35.9
91.05468	54.8
93.07031	93.0
95.04961	18.1
95.08588	62.2
97.02871	54.8
97.06512	8.9
99.04474	14.0
99.08060	7.2
101.02374	8.7
103.03948	15.9
105.07021	46.2
107.04967	3.8
107.08582	30.3
109.02853	21.3
109.06496	8.6
109.10130	27.3
111.04424	4.2
111.08066	6.1
115.03899	11.5
117.05452	4.4
117.07004	17.9
119.08559	27.5
121.06467	5.3
121.10129	52.8
123.08031	6.4
123.11707	11.0
125.09641	4.1
127.03921	28.8
129.05507	7.5
129.06972	11.7
131.08548	30.3
133.10130	29.3
135.08070	5.9
135.11667	23.3
137.09645	8.4
141.05449	3.8
143.08562	6.5
145.04930	7.2
145.10109	25.3
147.11659	19.4
149.09608	6.3
149.13252	12.2
151.11177	4.3
155.08437	5.5
157.01517	2.9
157.10106	7.7
159.11713	19.2
161.09590	4.7
161.13260	10.5
163.11168	4.9
165.52948	3.0
169.10092	4.0
171.11642	9.6
173.09637	3.3
173.13269	10.8
174.17073	3.0
177.12685	4.3
183.06482	7.2
183.11647	3.9
185.13274	3.5
187.14777	5.1
189.12596	4.2
199.11267	4.1
215.17967	13.2
231.17465	3.5
233.19019	12.3
273.18359	3.6
307.22632	68.7
341.20975	5.2
359.22244	5.8
377.23282	5.1
451.26965	4.7
469.27783	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.4
55.01857	14.0
55.05497	28.9
57.03424	10.2
57.07076	8.0
67.05489	61.6
68.39075	5.1
68.99776	10.5
69.03417	43.7
69.07053	32.3
69.16006	6.3
71.04988	14.9
71.63712	12.3
73.02902	5.9
79.05491	35.7
81.03394	52.6
81.07040	83.6
83.04964	24.5
83.08606	10.7
85.02902	67.4
87.00826	25.5
91.05470	66.8
93.06441	7.8
93.07024	100.0
95.04948	27.8
95.08590	71.5
97.02864	23.1
97.06528	34.3
97.10145	7.9
99.04443	10.0
103.03929	11.1
105.01857	15.1
105.07018	76.6
107.08587	79.9
107.53235	6.5
109.02853	23.0
109.06485	20.2
109.10139	79.0
111.04409	10.6
111.08063	21.5
117.07008	14.9
119.08563	88.9
121.06577	5.7
121.10121	59.6
121.40501	5.5
123.08083	22.4
123.11688	24.1
125.09614	18.2
127.03903	22.3
128.06287	7.4
129.01822	8.5
129.06915	10.3
131.08514	27.1
133.06499	7.7
133.10120	49.1
135.08061	10.2
135.11674	32.2
137.09584	22.0
139.11139	7.2
143.08549	14.1
145.04913	8.5
145.10130	35.7
145.11096	5.8
147.11659	64.7
149.09583	14.7
149.13239	12.8
151.11176	6.4
155.08501	7.6
157.10098	17.9
159.02885	10.5
159.07999	6.1
159.11670	26.0
161.09517	7.3
161.13261	10.7
163.11162	12.6
165.09117	17.1
165.12778	12.6
165.79440	5.7
171.11671	12.2
173.02286	6.6
173.13239	11.6
175.11166	9.7
175.14874	10.3
177.12772	8.4
183.11696	7.1
185.13301	8.8
187.14833	10.3
189.12732	8.5
189.16345	11.2
191.10666	8.4
199.14815	7.3
201.16388	8.3
203.17938	48.0
209.13358	9.0
213.16275	7.7
214.09882	7.1
219.17424	14.2
221.18982	15.0
245.19093	12.0
311.20084	13.2
329.20898	12.2
415.21405	6.8
433.22055	12.1
451.22787	8.3
469.24075	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.7
55.01863	14.7
55.05505	21.3
57.03418	7.9
57.07071	2.5
59.04989	3.4
61.02923	4.1
63.80201	2.2
67.05497	24.8
68.99774	4.1
69.03421	22.8
69.07066	22.1
69.57348	18.3
71.01336	3.4
71.04982	7.5
73.02898	4.8
79.05481	21.6
81.03413	31.5
81.07047	51.6
83.04962	21.1
83.08613	10.6
85.02894	40.8
85.06547	6.5
87.00826	17.4
88.17543	2.3
91.03936	2.7
91.05476	39.6
93.07031	100.0
95.04961	20.6
95.08589	40.6
97.02882	17.7
97.06516	10.7
99.04444	5.6
103.03939	4.8
105.01864	8.8
105.07011	43.9
107.04974	4.5
107.08573	41.9
109.02873	15.8
109.06519	10.2
109.10139	40.1
111.04439	5.0
111.08063	36.4
115.03934	7.8
117.06993	9.3
119.08565	47.1
121.06515	4.4
121.10125	30.6
123.08048	7.8
123.11715	10.3
125.09621	10.3
127.03920	20.3
129.01825	4.9
129.06984	6.4
131.08549	15.7
133.06476	3.2
133.10091	27.6
135.08025	6.5
135.11702	19.9
137.05983	4.0
137.09604	7.5
139.11153	3.3
141.06963	2.3
142.07817	3.0
143.08528	8.1
145.04930	7.5
145.06435	2.4
145.10124	17.9
147.08061	3.0
147.11662	40.0
149.09599	8.6
149.13261	7.2
151.11111	3.5
153.09079	4.5
155.08556	4.7
156.09341	3.6
157.10097	12.2
159.02904	7.4
159.11670	17.8
161.09651	5.9
161.13245	14.3
163.03848	3.9
163.11189	6.9
163.14839	2.6
165.09109	7.1
165.12778	6.1
169.10162	5.3
171.11707	6.5
173.09561	3.2
173.13226	8.3
175.11186	4.2
175.14861	4.2
177.09138	4.7
177.12776	2.9
183.11644	5.2
185.13295	4.2
187.11258	3.0
187.14806	4.2
189.03925	3.8
189.16502	3.5
191.10674	2.6
199.14934	3.0
201.08931	2.6
201.16393	8.8
203.14400	2.4
203.17934	27.0
205.12312	2.3
213.04005	2.8
213.16396	4.1
215.17934	7.0
219.17334	6.2
221.18979	10.3
227.17969	4.4
231.04961	3.6
231.17514	2.8
243.17487	4.1
245.18967	8.0
257.66458	2.4
298.70984	2.7
311.20026	7.2
329.21091	6.4
415.20920	2.8
425.24857	2.7
433.22427	6.5
435.91861	2.6
451.23248	9.5
469.23941	9.5
469.29892	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
55.01850	6.1
55.05503	10.8
57.03416	4.6
57.07056	2.8
57.07394	1.4
60.53136	1.9
61.02906	2.0
67.05492	13.7
68.99773	3.4
69.03415	15.8
69.07058	26.0
69.65306	15.0
71.04982	10.7
73.02878	1.9
79.05479	16.8
81.03410	12.2
81.07044	30.0
83.04966	5.5
83.08585	5.8
85.02888	16.7
86.28548	1.9
87.00816	8.2
89.03918	3.3
91.05468	8.9
93.07025	19.0
95.04954	7.6
95.08590	26.5
97.02878	8.9
97.06521	73.8
97.10125	2.7
98.06862	2.8
99.04410	3.0
99.08041	1.9
103.03923	2.7
105.01852	4.4
105.07007	18.6
107.04903	3.1
107.08582	18.3
107.09260	2.6
109.02848	7.0
109.06483	4.0
109.10143	18.0
111.04398	3.9
115.03914	5.4
117.03346	5.9
117.06992	3.3
119.08550	18.7
121.06480	5.4
121.10149	14.3
123.04387	4.1
123.08035	4.2
123.11704	9.4
127.03850	9.2
127.11176	6.7
128.06178	2.1
129.01805	3.4
129.07010	3.6
131.08549	9.3
133.02798	3.3
133.10086	13.3
135.04388	10.4
135.08032	2.0
135.11682	10.5
137.05965	4.0
137.09564	2.6
137.13255	3.5
141.06842	1.8
142.07742	3.2
143.08498	4.3
145.02820	10.0
145.05104	1.7
145.06438	2.1
145.10120	11.4
147.02968	1.8
147.08006	2.1
147.11652	11.1
149.09544	2.4
149.13231	7.4
153.12708	2.1
155.08617	2.6
157.10088	6.0
159.02893	3.5
159.04385	5.1
159.08054	2.4
159.11688	15.0
161.02306	17.5
161.13240	6.0
163.03883	55.7
164.04239	3.8
165.09064	3.6
165.12726	1.9
169.10130	2.3
171.07982	1.7
171.11638	6.0
173.02333	47.4
173.13226	5.5
174.02580	2.9
175.11160	3.6
175.14792	3.4
177.16284	2.5
183.11723	3.0
185.05902	1.9
185.13182	2.6
187.11198	2.7
187.14801	3.6
189.04021	2.1
189.05518	1.9
189.09114	2.1
189.16351	6.2
191.17883	2.5
193.19601	1.9
197.13216	2.5
199.11169	2.3
199.14760	2.3
201.03957	2.3
201.12651	2.6
201.16342	4.6
203.17935	5.8
205.19504	2.0
213.12747	2.2
213.16472	1.9
215.06993	57.6
215.17957	4.0
216.07335	4.0
219.17360	4.6
221.19014	5.1
223.14903	2.5
225.12759	2.5
227.17809	1.8
231.17361	2.6
233.18997	2.4
241.08633	2.0
243.17451	3.0
245.19063	4.5
259.09637	100.0
260.09943	13.7
263.19986	2.9
267.98361	2.0
277.10675	55.5
278.10861	3.0
311.19986	7.3
317.12201	1.7
329.21078	5.6
433.22296	2.7
451.23120	2.8
469.24341	7.0
478.86383	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.308
Annotation	2-tetradecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.39068	0.4
53.19785	0.3
55.05508	0.8
56.05020	1.2
57.03430	0.4
57.07076	3.0
58.06599	0.9
60.08155	17.1
64.14564	0.4
67.05491	1.2
69.07048	1.2
71.07362	6.5
71.08622	2.4
71.75214	0.5
81.07056	1.4
83.08613	0.5
85.10146	1.0
86.09693	52.4
89.06017	0.6
95.08585	1.7
98.98457	3.7
104.10727	100.0
105.07149	0.4
105.11050	0.7
109.10163	0.8
121.10109	0.4
123.11743	0.4
124.99986	28.3
128.31294	0.4
143.01076	0.9
163.01543	0.8
177.56781	0.4
184.07318	98.8
185.07603	0.5
258.11014	1.3
285.24249	2.6
334.87534	0.4
391.22275	0.6
413.41119	0.4
450.29803	8.8
468.30850	25.5
469.31088	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57009	0.3
55.05507	1.5
56.05027	2.9
57.03429	0.9
57.07070	4.5
58.06591	100.0
58.55566	0.4
67.05497	1.6
68.20195	0.3
69.07060	1.5
71.08625	2.7
71.75164	0.6
71.75550	0.4
76.07635	5.9
79.05488	0.4
81.07059	1.6
83.08615	1.5
85.10154	1.9
87.85800	0.3
89.06030	0.4
93.07043	0.4
95.08590	2.1
96.77496	0.4
97.10177	0.6
98.98435	0.3
109.10149	1.1
115.07590	0.4
121.10149	0.4
141.02795	0.4
156.04163	0.7
192.68652	0.4
230.07819	0.8
237.11761	0.4
244.21358	0.3
245.31441	0.4
296.29321	0.5
313.27322	27.6
314.27609	1.1
374.68741	0.5
450.30112	1.0
462.95074	0.4
468.30914	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81291	0.9
53.03923	1.4
55.01848	0.7
56.53205	0.8
57.03419	2.8
61.02903	1.5
61.03185	0.7
67.05483	1.9
69.03409	1.7
69.07047	1.3
70.06564	2.4
71.04963	1.4
71.74129	0.9
72.08153	1.1
73.02905	1.3
74.17765	0.8
79.05476	1.5
81.03403	100.0
81.07018	2.0
83.04955	2.4
84.04501	1.6
84.08148	1.6
85.02887	4.4
86.09689	3.0
91.05463	8.3
93.07011	3.8
95.04936	2.2
95.08582	2.2
97.02869	2.0
97.06483	1.1
105.06985	1.5
109.10146	1.9
119.08564	12.5
121.06480	4.5
121.10127	1.1
123.04383	1.5
123.08072	1.2
127.03848	1.0
129.10234	1.0
135.08041	1.3
136.06160	0.9
136.07568	1.6
137.05943	1.3
137.09596	14.3
139.11122	1.6
145.04955	1.0
147.08008	5.2
154.56102	0.9
157.12199	1.6
160.81586	0.8
165.09090	57.4
173.78969	0.8
175.07477	0.9
183.10060	1.7
187.07375	1.1
189.09332	1.1
191.06969	1.0
206.04387	1.2
213.09097	1.1
217.08430	0.8
239.12758	22.7
257.13800	41.3
258.14127	1.0
277.10663	2.0
281.13745	4.1
298.62827	1.0
334.23123	0.8
345.41245	0.8
401.17905	1.8
469.16873	2.3
470.70636	1.0
482.11493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.0
55.05511	5.6
57.03421	2.9
67.05496	18.6
69.03420	3.9
69.07068	14.6
71.50125	2.8
71.74533	3.2
79.05484	19.9
81.03410	8.0
81.07040	11.9
83.04967	5.8
83.08620	5.7
84.04509	3.2
85.02878	6.5
89.03897	6.8
90.87222	3.1
91.05499	14.0
92.05798	4.7
93.07030	11.0
94.07355	6.9
95.04967	10.1
95.08594	5.4
97.02888	3.8
97.06514	29.6
104.46484	2.8
105.07023	6.2
107.08607	6.7
109.10158	3.0
110.43609	2.4
117.03374	8.8
119.08556	11.4
120.08910	4.8
121.10138	6.2
130.05006	4.1
135.04385	17.3
136.60628	2.9
137.09567	4.7
145.02838	17.1
147.11662	3.9
147.50395	2.5
149.09654	3.6
150.86406	2.5
156.05641	3.3
159.11787	3.1
160.09668	6.4
163.03891	100.0
165.09138	3.4
166.23056	2.5
186.11252	7.1
193.12230	4.0
199.03920	3.6
207.14197	2.9
215.06949	2.9
217.05029	4.5
241.08563	69.9
259.09653	87.6
313.09717	2.9
370.22287	3.3
408.25919	3.4
468.28931	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.5
55.05490	3.0
57.03428	1.6
60.08154	2.4
65.03946	1.6
66.74709	1.7
67.05489	5.7
69.03397	1.7
69.07051	3.9
69.46304	4.7
69.46708	13.1
70.06561	5.4
71.01336	3.8
71.04989	1.8
73.45117	1.8
79.05499	3.8
81.03394	1.7
81.07045	2.2
83.04992	3.8
85.02866	2.8
86.09685	5.6
91.05462	2.1
95.04947	12.6
97.06517	22.4
98.21439	3.8
104.10719	7.6
105.06992	3.9
109.02862	2.0
111.04400	4.4
115.05436	3.0
119.08593	2.4
124.99963	4.3
130.85359	1.9
131.04936	2.2
131.08508	2.4
133.06477	2.1
135.04391	2.7
141.06999	4.2
143.08549	3.7
157.10130	2.3
160.05165	6.0
161.02293	2.0
161.05974	25.8
163.03874	35.4
167.08595	3.5
169.06506	8.6
170.26659	1.9
171.08046	2.1
173.02261	2.1
173.05931	5.2
175.03891	5.1
177.05402	2.2
184.07352	8.6
185.06012	2.0
185.09573	2.6
187.07555	7.7
189.05444	2.5
189.09074	34.6
189.10638	3.0
195.08075	5.0
197.05984	6.8
200.04669	5.4
213.09111	6.5
215.06995	54.4
217.08568	10.1
231.10214	4.9
233.07950	1.9
241.08559	3.7
259.09631	100.0
260.09897	1.9
277.10645	17.6
468.17596	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19564	1.0
53.30148	1.2
55.05504	10.8
57.03428	1.9
57.06792	2.2
57.07069	38.1
59.04982	4.7
65.03931	1.9
67.05496	100.0
69.03412	1.1
69.07059	7.8
71.04971	3.6
71.08622	26.2
72.09080	0.9
78.06957	1.0
79.05476	2.8
81.07045	30.2
82.77657	1.1
83.08604	15.7
85.06520	2.0
85.10179	12.1
85.70129	1.0
89.06031	1.1
91.05484	6.4
93.07047	2.9
95.08595	23.9
97.10186	5.2
98.21484	2.0
107.08553	2.4
109.10145	74.8
111.08070	2.8
111.11716	1.5
119.08575	5.9
123.11674	4.1
125.13262	1.5
137.09616	2.2
155.10690	3.7
173.11726	23.2
230.06134	1.1
239.23608	7.6
467.37314	73.9
468.37439	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	10.8
57.03429	2.1
57.07066	36.2
59.04986	3.9
61.27140	0.7
65.03940	2.9
66.43232	0.7
67.05495	100.0
69.07057	10.7
70.81244	2.6
71.04979	2.2
71.08620	26.2
79.05489	2.3
81.07041	26.7
83.08607	13.7
83.09068	1.1
85.06534	2.5
85.10159	11.2
91.05471	6.7
93.06997	4.0
95.08595	24.9
95.09190	1.4
96.61595	1.0
97.10158	6.1
105.07045	1.5
107.08591	1.7
109.10139	74.7
110.10429	0.9
111.08062	3.2
111.11705	2.0
119.08571	5.3
123.11695	5.4
125.13235	2.0
137.09570	3.5
137.13205	1.2
139.14627	0.9
147.40030	0.8
155.10670	3.2
173.11702	23.4
211.13222	1.1
239.23621	5.7
279.86133	0.7
367.12778	0.9
455.33389	0.9
467.37256	72.2
468.37439	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01857	3.8
55.05499	12.7
57.03426	11.9
58.18308	0.7
63.34004	0.8
65.03925	1.9
67.05493	38.3
69.03423	5.4
69.07056	6.9
71.04992	6.3
71.47983	1.1
71.48309	0.9
73.02892	1.8
79.05485	24.8
81.03407	62.5
81.07043	30.7
82.07371	1.9
83.04964	9.7
83.08608	14.9
85.02892	35.7
85.06529	1.0
91.05466	100.0
92.05801	2.0
92.96880	0.9
93.07029	35.5
95.04955	19.1
95.08587	28.5
96.08912	1.2
96.24297	1.1
97.02883	4.8
97.06519	6.5
97.10146	1.8
105.07017	17.8
107.04948	3.8
107.08562	6.2
109.06491	4.0
109.10146	14.2
111.04433	1.9
111.08060	8.7
113.05977	2.1
115.05462	1.7
117.07016	6.0
119.08564	82.4
120.08870	2.0
121.06481	5.4
121.10134	8.0
123.08074	2.4
123.11690	1.0
125.09602	1.3
128.06223	1.1
129.06987	7.6
131.08571	6.1
133.06464	2.9
133.10121	7.1
135.08066	1.8
137.09592	35.6
142.07761	1.7
144.41339	0.9
145.10109	2.2
147.08037	7.8
147.11658	10.3
149.09636	3.5
153.75452	0.8
157.10107	8.6
163.03937	1.4
165.09102	27.3
165.12740	3.0
175.11160	9.0
178.21938	0.9
183.10138	11.1
193.12210	42.0
194.12584	1.0
211.13260	51.1
212.13503	1.5
215.59372	0.8
239.12823	3.0
257.13901	1.8
259.09683	3.6
267.15936	4.1
285.16922	8.2
329.14163	1.0
331.03198	0.8
357.20566	1.0
431.23965	1.4
449.25354	2.8
449.48264	1.0
457.22891	1.1
467.26389	45.2
468.26813	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.6
56.54623	1.1
57.03430	11.8
57.07069	44.7
67.05495	34.4
67.46651	1.1
69.07063	10.1
69.51791	9.8
71.04955	1.3
71.08236	1.9
71.08621	29.1
79.05488	2.0
81.07055	20.3
83.08604	11.1
85.10173	17.7
86.55363	1.2
89.06031	2.2
91.05481	3.6
93.07067	1.8
95.08601	28.3
96.96329	1.1
97.10149	4.6
98.98454	48.3
105.07026	1.6
107.08586	1.3
109.10147	27.5
111.11682	1.8
113.67522	1.2
116.99459	2.0
119.08574	1.3
123.11665	4.0
125.13271	1.5
136.99966	3.3
137.13187	2.4
155.01025	52.4
170.43683	1.2
173.11723	7.3
188.97589	1.2
211.03558	1.9
229.04762	1.5
239.23654	6.7
313.27328	100.0
314.27655	4.4
393.23996	2.3
449.26538	12.2
459.15149	1.1
467.37384	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14668	4.7
50.17091	4.7
71.73243	7.4
74.25542	4.9
85.02879	7.1
85.40403	4.3
97.02874	11.6
98.97594	12.5
101.00865	23.4
113.03531	5.7
115.02402	18.4
116.98620	7.0
117.03976	7.8
119.01911	87.4
121.01631	6.7
131.01906	34.5
133.03462	65.6
135.05005	9.6
143.01852	40.4
144.99794	8.6
145.03436	31.1
147.01324	9.6
147.05022	8.0
149.02945	19.4
151.04478	9.9
155.01852	26.8
157.03450	20.0
159.01360	15.8
159.04993	36.7
161.02969	58.6
163.04497	12.4
168.99802	24.1
171.01381	13.7
171.05040	33.4
173.02985	50.3
173.06564	12.7
175.00839	6.0
175.04482	11.4
177.02432	14.6
177.06065	11.5
185.02924	23.0
187.00902	33.6
187.04506	6.3
189.02461	16.6
189.06064	22.4
191.03967	19.8
195.01724	6.8
197.02922	7.9
199.00919	16.7
201.02399	13.3
201.06050	14.1
203.04012	19.3
207.03461	7.9
213.06088	6.9
215.00356	33.5
215.03955	8.1
217.01939	39.3
219.01520	5.9
219.03470	10.9
219.07095	10.0
221.05040	53.5
227.00270	6.6
229.01830	10.3
231.03458	11.4
231.07092	10.8
237.02846	11.7
243.07050	5.8
245.01364	9.5
245.05035	25.2
247.02931	29.8
257.01581	7.5
259.03018	13.1
259.06625	10.5
261.08270	52.2
265.04004	42.3
273.00952	9.4
275.02548	9.2
279.09286	84.3
287.02597	7.0
287.06024	12.1
289.03955	14.2
305.03546	12.7
305.07108	7.5
307.04993	14.4
307.08667	12.5
315.01993	39.1
317.03412	9.2
319.05054	7.4
321.10458	28.5
333.02835	15.3
337.09927	7.5
343.01416	20.7
345.02896	5.7
347.08340	6.8
359.04565	7.9
361.02551	21.0
375.04028	100.0
393.05157	38.2
402.75061	5.8
415.55798	5.7
416.06549	7.2
421.04666	6.3
435.09802	17.3
447.91354	5.4
467.11896	16.3
477.41946	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05154	0.4
57.07070	5.6
58.06568	1.5
58.13814	0.4
58.83811	0.4
65.03918	1.9
67.05479	0.7
69.40739	2.8
69.41164	2.1
70.06587	15.6
71.08621	2.7
79.05467	0.8
81.07016	0.5
83.21178	0.5
85.10162	0.9
88.07622	18.1
88.08165	1.1
93.07005	0.5
102.09174	14.2
103.01827	0.5
121.02848	1.0
134.00589	0.4
137.46667	0.4
139.03860	1.5
149.02333	51.0
149.03404	2.6
162.49551	0.5
180.45406	0.4
193.04953	51.7
194.05270	0.9
237.07564	60.0
238.07941	1.2
256.26340	50.4
257.26660	1.3
300.28888	1.7
308.56042	0.5
358.24005	0.5
456.06949	0.5
466.31625	100.0
467.31927	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98251	0.5
53.03927	0.9
55.01860	1.1
55.05509	0.8
57.03439	2.6
57.07063	0.7
58.06600	0.6
61.02911	1.8
63.78699	0.5
67.05498	1.8
69.03426	5.4
69.07042	0.6
70.35206	1.0
70.35595	1.1
71.01301	0.7
71.04980	0.6
73.02912	9.7
79.05491	6.5
81.03454	1.0
81.07048	100.0
82.07370	1.2
83.05011	0.8
85.02898	15.2
87.04470	0.7
89.31541	0.5
91.05473	1.1
93.07055	1.0
95.04964	1.0
95.08595	7.4
95.79776	0.5
97.02886	9.5
97.06519	0.8
98.81276	0.5
99.04456	0.8
103.03951	1.1
107.08593	0.9
109.02887	0.9
109.10137	1.3
115.03913	5.6
127.03897	5.7
132.06558	0.5
133.04953	8.6
137.09583	1.3
137.13242	34.5
145.04933	9.7
163.05992	5.4
165.09068	1.2
167.18187	0.5
223.06042	2.1
241.07133	2.1
259.08023	6.0
264.44373	0.5
276.67227	0.6
276.85303	0.5
277.09262	1.5
295.10315	4.3
330.14133	0.6
395.01901	0.6
466.25125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01855	0.8
55.05500	1.4
56.59815	0.4
57.03434	8.3
57.07066	2.0
59.05000	0.5
61.02924	3.3
63.48711	0.5
67.05499	4.5
69.03423	8.4
69.07059	4.0
69.63798	2.7
69.64217	1.0
70.43608	0.5
71.01353	1.2
71.08623	0.5
73.02908	18.9
75.04448	0.5
79.05486	6.9
80.05824	0.6
81.03421	2.4
81.07047	100.0
82.07377	1.5
83.04979	0.8
83.08608	0.9
85.02894	17.8
87.04465	1.6
87.67323	0.5
91.03963	0.5
91.05475	2.0
93.07032	2.8
95.04975	1.0
95.08595	14.9
97.02879	14.5
97.06515	1.7
97.10144	0.6
98.20691	1.0
99.04447	1.1
103.03928	0.6
105.07012	1.9
107.08596	1.7
109.02890	1.5
109.10143	1.6
110.79353	0.5
112.44382	0.4
115.03914	11.9
119.08577	1.5
121.10146	0.9
123.11703	1.1
127.03914	5.4
131.08546	1.1
133.04967	5.9
135.08107	0.5
135.11719	1.0
137.13239	26.3
145.04935	7.1
145.10143	0.6
147.11650	0.9
147.39980	0.5
149.13254	1.4
150.07669	0.9
155.14297	1.8
161.13315	0.5
163.06003	2.7
165.12775	1.0
223.06047	1.5
241.07124	1.8
243.58577	0.5
259.08279	1.7
295.10251	1.8
433.99945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01859	0.7
55.44556	0.6
57.03429	6.2
58.70954	0.6
61.02921	1.7
67.05497	2.2
69.03422	5.2
69.07043	1.3
70.87342	1.0
70.87696	1.5
71.01348	0.7
71.04975	0.6
73.02904	10.4
79.05484	6.5
81.03426	2.0
81.07045	100.0
82.07389	0.9
85.02893	10.8
87.04488	0.7
91.05459	2.2
93.07038	1.1
95.04979	1.1
95.08590	8.2
97.02874	10.0
97.06520	1.1
97.10155	0.8
105.07036	0.9
109.02864	1.3
109.10126	1.3
115.03917	8.5
119.08586	0.7
127.03893	4.9
127.78221	0.7
133.04961	3.4
137.13232	26.9
145.04933	5.1
163.06021	2.8
223.06003	1.7
241.07043	1.3
259.08084	3.2
295.10272	5.1
466.25171	1.6
467.18979	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01867	5.5
55.05496	1.6
56.24490	0.6
57.03432	8.9
57.07066	3.0
59.04993	0.9
61.02919	7.0
67.05499	5.0
69.03422	16.9
69.07057	7.6
69.44185	7.1
71.01336	2.6
71.04993	1.3
73.02906	44.6
79.05483	8.4
81.03399	3.9
81.07046	100.0
83.04945	0.8
83.08611	1.8
85.02895	36.3
87.04462	2.3
91.03967	1.8
91.05472	1.9
93.07040	5.9
95.04978	1.6
95.08596	22.0
97.02881	26.6
97.10201	0.7
98.20627	1.3
99.04456	1.7
103.03946	1.5
104.09869	0.6
105.07022	2.5
107.04907	1.0
107.08595	3.7
109.02876	3.6
109.06520	1.3
109.10147	2.4
115.03928	13.8
119.08589	3.0
121.10117	1.9
123.11711	2.6
125.05942	0.8
127.03916	11.2
129.05463	0.8
131.08531	0.8
133.04955	16.2
135.11691	2.0
137.13242	28.2
145.04932	14.8
145.10112	0.8
147.11670	1.3
149.13234	3.8
150.07645	1.5
155.14345	2.5
157.10124	0.7
159.11687	1.5
161.13260	0.8
163.05989	6.7
165.12764	1.2
171.15321	0.8
173.08167	1.4
185.13286	1.0
193.04936	1.1
203.14215	0.9
217.07076	1.1
223.06053	2.2
233.15437	1.4
241.07042	4.1
251.16364	0.9
259.08072	3.8
263.16486	0.9
269.17432	0.8
281.17572	1.6
295.10361	1.5
302.84320	0.7
455.16199	0.8
490.15588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33944	0.7
53.03942	0.8
55.01870	10.6
55.05508	24.8
57.03432	8.8
57.07069	10.2
59.32617	0.8
64.43523	0.8
67.05497	13.0
69.07063	26.4
69.50583	1.9
69.50985	6.1
71.08628	5.9
73.02908	6.4
79.05490	5.9
81.07046	10.5
83.04982	1.0
83.08615	24.1
85.06548	1.1
85.10165	2.3
91.05470	1.6
93.07025	6.5
95.08600	6.5
97.06517	3.3
97.10159	15.5
98.98460	51.4
107.08604	4.9
109.10169	6.1
111.08077	1.1
111.11687	3.4
116.99502	1.1
121.10118	8.0
123.11690	1.8
125.09594	1.3
129.05472	3.2
135.11673	4.1
137.00005	2.9
149.13237	1.8
155.01027	42.5
163.14815	1.0
173.11693	1.8
193.02570	1.1
211.03709	2.3
219.21156	3.0
229.04684	3.3
237.22116	10.1
255.23254	1.2
283.39639	0.8
311.25781	100.0
312.26083	3.2
447.25089	13.3
465.36163	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10498	0.4
53.03934	0.9
55.01855	1.5
57.03432	3.3
57.07054	0.7
59.04979	0.5
61.02902	1.5
67.05487	2.3
69.03419	5.5
69.07054	1.2
69.63392	1.4
69.63812	2.2
71.04951	0.5
73.02908	10.4
75.93417	0.4
79.05485	5.4
81.03408	1.8
81.07045	100.0
82.07388	0.7
82.98032	0.4
85.02376	0.8
85.02893	15.1
87.04453	0.9
91.05459	1.0
93.07036	1.3
95.04992	1.1
95.08593	7.7
97.02876	9.8
97.03458	0.7
97.06490	0.5
99.04445	0.7
103.03933	1.0
105.07001	0.6
107.08584	0.5
108.08937	0.5
109.02882	1.6
109.10184	0.8
115.03909	4.7
117.07014	0.5
121.06486	0.5
127.03894	5.9
133.04938	8.5
133.10114	0.6
135.08054	0.6
136.08363	0.5
137.09650	0.5
137.13237	31.6
144.06580	0.5
145.04942	8.5
163.06012	5.0
193.05061	0.5
199.06087	0.5
217.07150	0.7
223.06056	1.7
241.07155	2.0
259.08102	5.9
277.09210	1.3
295.10266	4.4
330.10709	0.4
401.63837	0.5
466.24701	0.5
476.94901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.6
55.05504	22.3
57.03425	8.0
57.07068	7.7
57.93550	1.0
67.05486	6.9
69.07055	23.6
70.79044	2.1
70.79380	1.0
71.08616	4.7
72.59661	0.9
73.02912	7.3
79.05482	3.7
81.07039	8.3
83.04970	1.0
83.08603	18.1
85.10173	2.4
93.07044	5.7
95.08601	8.5
96.27677	0.8
97.06520	2.4
97.10150	12.9
98.98449	44.6
100.29469	1.0
107.08611	2.3
107.10221	1.1
109.10146	1.6
111.08035	1.4
111.11720	2.6
116.99524	1.6
121.10155	6.5
123.11739	1.1
129.05464	3.5
135.11687	2.9
136.99992	2.9
145.89305	0.9
149.13232	1.8
155.01021	40.2
193.02541	1.0
211.03581	2.2
219.21091	2.1
225.66260	1.0
229.04698	2.7
237.22124	7.7
238.22504	1.0
311.25757	100.0
312.26083	4.4
447.24982	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01866	12.9
55.05264	1.4
55.05504	18.0
57.03426	8.7
59.04990	3.2
63.22711	0.8
65.03927	2.9
67.05498	37.5
69.03415	3.7
69.07068	9.2
70.92294	1.2
70.92638	1.5
71.01342	1.8
71.04993	5.9
77.03889	0.9
79.05486	33.9
81.03409	39.0
81.07049	25.3
82.86862	0.8
83.01339	6.6
83.04970	15.5
83.08614	9.9
85.02900	19.6
91.05472	100.0
92.05798	1.4
93.07033	49.8
95.04958	14.5
95.08598	26.2
97.02879	3.6
97.06525	7.5
97.10149	3.5
99.04443	2.2
99.08088	1.3
101.45717	0.8
103.05438	1.4
105.07027	17.0
105.25043	0.8
106.07306	0.8
107.04936	8.0
107.08585	16.0
109.06503	8.5
109.10147	17.4
111.04443	3.5
111.08065	4.0
115.05431	1.3
117.07015	12.9
119.08569	92.9
120.08958	2.0
121.06461	7.1
121.10130	9.7
123.04433	1.8
123.08073	7.9
125.05977	3.1
125.09568	3.9
127.03939	1.0
128.06148	1.2
129.06972	3.9
130.07790	2.0
131.08565	5.1
133.06454	2.3
133.10147	4.0
135.08037	7.3
135.11693	10.2
137.09602	42.3
139.07492	1.2
143.07050	1.5
145.06505	1.1
145.10121	13.2
147.08037	7.1
147.11656	2.1
149.09613	1.4
151.07561	1.5
151.11220	1.1
153.09081	1.5
153.12720	4.7
155.08430	1.6
157.10101	1.9
159.11621	0.9
161.09688	0.8
163.03960	0.9
163.07526	2.8
163.11169	23.4
165.09105	30.2
173.09595	3.7
175.11174	1.3
181.08578	1.2
181.12259	4.7
183.10149	17.5
191.10661	2.7
193.12253	3.1
199.09695	1.6
203.10674	1.1
209.11664	7.4
211.13263	2.0
221.11607	1.8
227.12804	7.8
239.12769	3.3
283.15387	10.8
327.19489	1.3
355.18997	5.7
367.18057	1.1
447.23483	4.6
465.24774	54.5
466.25211	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.4
53.03929	4.6
55.01863	12.5
55.05500	15.2
57.03429	14.0
59.04987	1.3
62.38356	0.8
64.89164	0.9
65.03914	3.1
67.05497	31.4
69.03413	4.1
69.07054	7.6
70.99727	1.4
71.00066	2.0
71.04971	5.2
77.03916	1.0
79.05483	66.2
80.05812	1.1
81.03406	59.4
81.06594	2.1
81.07044	28.1
83.01328	5.7
83.04971	11.7
83.08598	15.4
85.02893	27.6
85.06515	1.9
91.05467	100.0
92.05786	1.6
93.07030	39.9
95.04956	25.3
95.08602	10.5
97.02882	3.6
97.06524	4.8
97.10154	3.5
99.08068	1.1
105.03352	1.1
105.04498	1.8
105.07014	22.4
107.04945	14.1
107.08582	30.9
109.06514	5.0
109.10140	4.5
111.04436	5.4
111.08047	9.2
113.06011	2.8
115.05442	11.8
117.07004	55.9
118.07362	2.0
119.08572	28.7
121.06538	2.3
121.10155	7.6
123.08049	2.5
123.11684	1.4
125.05983	2.2
125.09619	3.0
129.06987	7.5
131.08543	9.3
133.06519	2.5
133.10095	6.7
135.08032	60.6
135.11662	2.0
137.09592	6.8
142.07780	2.6
145.06462	2.2
145.10092	2.5
147.08037	4.1
147.11670	11.8
149.09590	5.7
153.09135	3.8
153.12749	1.1
157.10144	11.2
159.08174	0.9
163.07489	6.1
163.11171	3.0
164.60007	1.1
165.09097	2.9
165.12778	2.6
173.09601	1.4
175.11168	12.6
181.08598	3.4
193.12213	50.9
199.09642	4.0
204.20027	0.9
211.13264	47.6
212.13600	1.1
227.12718	1.4
239.12764	1.2
249.14828	1.1
255.12338	2.2
267.15945	2.5
279.30338	1.1
283.15439	1.2
285.17010	2.8
327.19589	1.5
355.19025	1.8
373.19955	1.5
428.02539	1.0
429.22672	1.2
447.23816	1.9
465.24799	58.5
466.25076	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.7
55.01862	15.5
55.05506	22.3
57.03421	12.9
57.07063	3.5
59.97639	1.4
65.03922	5.3
67.05495	55.1
69.03419	5.7
69.07063	16.9
70.52794	1.6
71.01306	1.7
71.04977	6.5
71.75048	1.8
77.03912	1.7
79.05484	65.7
80.91174	1.6
81.03407	76.6
81.07041	45.8
83.01315	4.3
83.04980	17.8
83.08615	15.8
85.02898	20.8
85.06527	2.6
91.05468	100.0
92.05767	1.8
93.07034	61.0
95.04955	25.1
95.08597	43.6
97.02867	9.0
97.06527	11.8
97.10155	5.7
99.04419	5.1
105.07012	25.8
107.04935	21.9
107.08574	42.0
109.02859	3.7
109.06489	8.5
109.10143	19.7
111.04430	8.8
111.08083	7.9
115.05452	6.3
117.07001	38.9
117.07787	3.1
119.04997	1.7
119.08563	72.1
121.02876	7.2
121.06503	16.7
121.10149	14.2
123.04459	3.9
123.08063	5.7
123.11739	2.3
125.05963	5.4
125.09587	7.2
129.05464	1.7
129.07007	8.5
131.04951	1.9
131.08545	12.8
133.06474	2.2
133.10109	10.3
135.04404	4.0
135.08032	27.0
135.11665	32.1
137.05980	2.1
137.09598	29.8
141.06995	2.6
142.07755	2.1
143.07045	3.0
143.08531	3.4
145.06447	6.2
145.10112	26.3
147.08032	8.6
147.11639	8.1
149.09616	5.1
153.09053	9.8
153.12701	4.4
155.08499	4.0
157.10110	8.5
161.09644	2.9
163.07588	8.0
163.11157	39.5
165.09094	28.3
169.10233	1.7
173.09598	4.4
175.11180	7.7
181.08575	5.9
181.12224	10.0
183.10199	8.4
183.11568	2.0
185.09573	2.8
189.11278	2.1
191.10643	5.2
193.12178	19.8
199.09653	6.0
201.12807	2.1
209.11684	10.2
211.13211	15.4
219.10118	5.6
219.13821	2.3
227.12749	59.6
228.13109	2.2
239.12689	11.8
243.56873	1.9
255.12234	5.9
265.14478	2.2
267.15997	5.8
283.15408	10.0
293.13751	1.7
303.04919	1.9
327.19583	2.3
355.18881	6.3
373.20322	3.7
447.23648	14.4
465.24762	67.2
466.25381	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72114	1.6
53.03929	2.5
54.59796	1.9
55.01855	3.8
55.05521	9.1
57.03423	8.1
61.02930	8.9
61.05985	1.7
67.05498	15.1
67.09084	1.5
69.03398	6.4
69.07061	5.1
70.06587	4.4
71.04979	4.6
71.74422	1.9
72.08157	2.5
73.02895	2.6
79.05488	14.6
79.83761	1.7
81.03412	50.9
81.07050	15.5
83.04977	12.6
83.08606	14.6
84.08104	2.2
85.02892	19.4
86.09715	9.2
90.25999	1.7
90.64248	1.7
91.03922	3.8
91.05479	21.6
93.07037	14.7
95.04961	15.9
95.08588	6.5
97.02861	8.1
97.06524	5.1
97.10157	2.8
105.07006	12.7
107.04919	4.7
107.08551	6.6
109.02909	2.2
109.06496	2.4
109.10155	3.0
111.04446	4.4
111.08060	7.1
113.06016	3.2
117.06953	2.0
119.08582	13.9
120.08067	5.1
121.02889	4.2
121.10098	6.1
123.08047	2.8
127.03844	2.2
129.06989	7.7
131.08531	6.9
133.06505	1.7
133.10112	7.3
137.02315	7.1
137.05980	1.9
137.09605	4.0
142.07776	2.1
147.11650	8.5
149.09622	6.1
152.06438	1.8
153.01761	5.9
155.63084	1.9
157.10135	9.2
165.12740	5.3
167.03326	2.4
175.11189	15.8
184.07449	2.5
193.12228	56.5
194.12511	4.5
211.13275	52.3
212.13600	2.3
220.17418	2.0
229.04939	5.5
257.04498	3.4
267.15912	20.5
273.07718	2.8
283.06027	2.5
285.16928	66.4
286.17422	5.9
299.05487	8.1
300.06030	4.4
303.04968	100.0
304.05258	7.7
311.05441	5.3
315.04962	2.0
329.06528	41.5
330.06680	4.3
429.08081	4.4
447.22919	2.5
465.25021	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01868	2.6
55.05495	4.1
57.03432	2.5
57.07052	0.9
65.03895	0.8
67.05498	8.8
69.03418	1.6
69.07059	3.6
69.75414	5.1
70.06603	1.5
71.04984	1.3
75.46314	0.7
79.05480	9.6
81.03412	8.0
81.07047	8.3
83.04975	2.9
83.08606	3.2
85.02895	2.9
86.09704	1.1
91.05469	11.0
93.07036	8.7
95.04950	7.4
95.08594	5.8
97.02900	2.2
97.06522	5.0
105.07044	4.5
107.04961	3.7
107.08585	5.2
109.02894	1.8
109.06510	2.5
109.10150	2.7
111.04443	1.6
111.08036	1.3
115.05537	0.8
117.07005	3.6
119.04952	2.3
119.08560	5.0
120.08103	1.2
121.02878	1.1
121.06512	2.3
121.10145	2.5
123.04472	1.4
123.08073	1.3
125.09563	1.2
127.03924	1.2
128.06233	1.4
129.07014	2.0
131.08568	3.0
133.06490	1.6
133.10158	2.1
135.08018	4.3
135.11676	1.6
137.05978	1.3
137.09619	2.9
143.08549	1.1
145.06480	1.6
145.10088	2.1
147.04353	5.6
147.08064	2.1
147.11661	1.8
149.09637	2.8
153.09102	1.3
155.08488	1.0
157.10182	2.5
159.08136	1.0
163.03932	2.2
163.07521	2.0
163.11224	2.2
165.09119	2.9
167.03258	0.9
171.11626	0.9
173.02361	0.9
173.09608	2.1
175.11136	1.1
181.08644	1.8
181.12207	1.0
185.04231	1.0
190.29556	0.9
191.03415	1.2
191.10649	1.5
199.09636	1.8
199.11316	1.2
199.14600	0.9
201.05269	4.4
201.11195	0.8
205.44231	0.8
209.11745	3.1
211.13261	1.0
215.07025	2.8
217.04771	1.9
217.08324	4.2
227.05281	3.4
229.12358	1.0
235.13374	1.2
241.08687	1.0
255.12370	1.6
259.09787	3.1
267.15915	1.0
271.04178	4.0
273.07712	1.0
295.10364	0.9
303.04834	1.8
313.06885	1.1
314.07599	1.0
315.07611	2.8
327.19522	2.2
331.45667	1.0
355.19083	3.3
373.20224	2.2
379.13547	9.5
397.26816	1.1
403.13745	2.2
411.09808	1.2
421.14691	56.0
422.15192	1.6
429.10895	2.5
429.22711	1.2
447.23962	4.9
464.32770	2.1
465.13739	100.0
465.24850	9.6
466.14172	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
57.03430	0.4
59.15465	0.3
61.02921	6.7
63.01337	0.3
68.99783	1.1
69.03409	1.0
70.87458	0.9
72.79721	0.3
73.02912	2.0
76.02820	0.3
79.64896	0.3
81.03400	0.7
81.97540	0.3
82.07467	0.3
85.02895	5.4
91.03947	3.7
93.03378	0.6
97.02883	3.1
109.02854	0.8
111.00775	1.2
121.02845	1.4
123.04401	0.5
123.35899	0.3
127.03860	1.2
137.02341	4.0
137.03383	0.5
145.04919	0.5
149.02341	0.6
153.01810	4.0
163.03888	0.8
165.01863	2.8
179.03491	0.3
183.02858	1.2
183.04330	0.4
187.03806	0.4
195.02914	0.4
201.05455	2.2
229.04929	5.4
247.06015	0.6
257.04407	3.0
268.76181	0.3
274.04749	0.5
275.05310	0.4
285.03909	1.4
303.04962	100.0
304.05328	3.5
388.84241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	2.0
53.03946	6.0
55.01863	15.2
55.05503	30.3
57.03416	11.9
57.07082	2.2
59.04995	2.1
61.02918	1.9
61.93300	2.2
65.03948	4.9
67.05494	62.9
67.05838	3.3
69.03428	7.7
69.07058	28.5
69.83161	13.3
70.06576	1.8
71.04984	21.6
72.08168	2.0
73.02868	2.1
79.05481	73.4
81.03413	22.4
81.07047	50.1
83.04964	12.2
83.08605	17.0
83.08988	1.7
85.02914	4.1
85.06565	5.7
91.05468	58.6
91.06020	3.6
92.05832	1.9
93.07030	94.4
95.01337	3.4
95.04946	32.9
95.08593	28.3
97.02877	3.0
97.06514	37.3
97.10153	19.5
98.21431	2.4
99.68840	1.8
103.05472	4.9
105.04559	3.4
105.07008	34.9
107.04937	100.0
107.08587	33.4
109.02914	2.8
109.06506	20.1
109.10145	17.8
111.04471	5.9
111.08042	11.6
115.05482	5.2
117.07001	22.6
119.04949	5.3
119.08575	21.6
121.06494	24.3
121.10126	27.3
123.00792	14.0
123.04457	3.3
123.08097	6.4
123.11744	5.1
125.02393	2.2
125.05997	5.4
125.09600	17.5
127.03944	1.9
128.06273	5.5
129.06992	14.6
130.07893	2.1
131.04948	8.5
131.08533	23.4
133.06459	14.3
133.10107	14.1
135.04453	4.9
135.08035	19.6
135.11671	10.0
137.06012	5.4
137.09663	7.9
139.07565	5.1
139.11259	5.0
141.01819	3.5
141.07054	6.7
142.07848	3.9
143.07100	7.0
143.08612	8.7
144.05832	2.3
145.06480	12.2
145.10092	17.9
147.04495	2.9
147.08023	29.0
147.11723	6.0
149.09596	14.6
151.07550	2.2
151.11183	4.0
153.09143	4.3
153.12747	2.4
155.08572	4.6
157.06528	6.4
157.10167	7.6
159.08096	6.2
159.11739	7.8
161.02390	2.3
161.05983	4.7
161.08371	2.6
161.09677	11.7
163.03876	9.3
163.07596	8.6
163.11143	16.2
165.09134	4.3
167.08583	4.3
167.10692	11.2
169.01299	17.9
169.10167	3.7
171.08138	4.4
171.10217	3.3
171.11684	3.3
173.02377	4.8
173.09602	12.0
173.13341	3.9
175.07654	2.5
175.11211	3.6
177.09109	13.6
177.12839	2.5
179.08633	2.3
179.10800	2.7
180.04176	2.7
181.08768	2.2
183.08168	2.3
183.11705	3.0
185.09712	6.9
185.13268	2.3
187.07539	2.4
187.11244	9.4
189.09213	5.7
189.11253	7.5
191.10652	31.9
191.12149	2.0
193.12317	4.1
193.48137	2.1
195.08128	2.8
195.11852	2.6
197.09743	3.7
199.07611	2.1
199.09659	4.1
199.11447	4.2
199.13380	16.8
199.14778	2.3
201.09218	2.3
201.12810	4.2
203.10793	6.9
205.12314	5.3
209.09718	3.8
209.11745	3.6
211.11276	3.9
213.12740	3.8
215.06938	9.7
217.12363	3.5
217.14255	2.2
219.13776	9.8
221.11813	5.6
223.11386	2.9
227.10709	9.2
227.12874	9.2
229.12271	4.2
233.15440	1.9
243.13962	3.0
247.13216	4.0
255.13818	2.3
259.09793	15.2
259.13306	3.1
265.14215	2.4
267.16187	2.3
273.14560	2.5
273.17038	26.4
277.10895	6.6
286.04962	1.9
293.17825	3.1
294.11206	2.4
297.18494	3.0
301.06863	9.8
303.17307	3.4
311.20190	7.6
312.06522	3.1
321.18375	10.5
327.08664	4.5
329.21216	8.2
337.07391	2.1
339.19501	36.0
343.19238	2.6
353.17694	2.7
357.20541	32.4
371.22507	4.7
375.21896	4.9
389.23456	4.9
409.04437	2.9
409.08899	11.4
410.10229	2.0
413.23199	8.9
431.24307	64.1
432.24902	2.9
445.25677	11.5
455.27893	2.1
463.13715	8.9
463.27179	75.2
464.27924	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.0
53.39626	1.1
55.01851	4.2
55.05501	21.0
57.03435	10.8
59.04964	1.8
64.74111	1.4
64.79350	1.1
65.03907	3.1
67.05495	44.6
69.03394	4.5
69.07058	9.9
71.04962	6.1
71.06094	2.9
79.05015	2.2
79.05480	37.8
80.10959	1.1
81.03405	39.5
81.07042	39.1
83.04562	1.4
83.04973	14.1
83.08604	12.8
85.02883	11.9
85.06531	4.9
85.52625	1.3
91.05466	100.0
92.05756	1.8
93.07032	22.1
95.04957	19.1
95.08588	11.1
97.02855	5.9
97.06513	8.1
97.10151	7.0
99.04424	1.2
99.08025	1.9
103.05424	1.9
105.07009	40.5
107.04948	13.0
107.08573	15.1
109.06474	6.3
109.10140	7.7
111.04438	1.6
111.08056	7.9
113.05943	2.3
115.05394	1.8
117.06988	14.6
119.04910	2.6
119.08566	21.0
121.06473	3.3
121.10108	7.7
123.00772	3.8
123.04462	1.5
123.08057	3.6
123.11726	6.4
125.09601	6.3
128.06183	4.1
129.06989	12.2
131.08528	11.9
133.06410	3.1
133.10118	32.3
135.08032	6.6
135.11644	4.4
137.09608	1.9
141.06956	1.9
142.07747	2.9
143.08534	9.2
145.06467	4.4
145.10066	5.1
147.08012	4.9
147.11687	7.3
149.09587	8.7
151.11119	6.3
153.09073	1.4
155.08539	3.9
157.10107	12.7
159.11601	1.6
161.09552	11.2
163.03899	1.5
163.07428	1.5
163.11148	4.6
169.01295	4.3
169.10072	1.8
169.12152	1.5
171.11696	1.7
173.02357	2.0
173.13167	1.9
175.11174	8.2
179.10663	8.9
181.10091	2.2
183.11665	1.5
185.09492	1.3
185.13269	1.5
187.13287	2.6
189.11148	3.4
193.12215	22.9
197.11653	2.2
199.11160	1.8
201.12675	2.0
203.10606	3.0
207.11728	1.3
209.11623	2.1
211.13258	25.4
215.07129	3.1
219.13799	2.2
223.14777	1.6
227.12685	8.9
237.12730	1.5
249.14662	2.0
251.14285	1.9
253.14339	16.3
259.09607	1.8
267.15863	9.8
277.14267	2.6
285.16907	5.3
335.19873	3.0
353.21118	6.3
371.22156	5.8
377.65582	1.4
393.22165	1.3
427.24408	3.5
435.14380	1.8
445.25778	21.9
463.13678	10.0
463.27002	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	1.8
53.03937	6.2
55.01851	4.9
55.05502	18.0
57.03432	8.2
65.03925	4.5
67.05495	61.6
69.03415	4.8
69.07068	12.6
70.06572	2.2
71.04961	3.5
71.75549	2.6
73.06536	3.0
79.05482	59.0
81.03405	49.1
81.06592	3.2
81.07045	40.2
83.04959	14.8
83.08614	8.1
85.02900	11.9
85.06514	4.0
91.05466	100.0
92.05801	2.5
93.07028	63.1
95.04958	20.7
95.08598	39.9
97.02869	3.3
97.06509	12.8
97.10157	4.2
99.08073	2.4
99.81403	1.7
100.59699	1.5
101.33401	1.7
105.07011	35.1
107.04971	8.7
107.08578	19.0
109.06499	7.9
109.10140	14.5
111.04462	2.0
111.08046	3.8
113.00025	2.9
113.80983	1.6
115.05417	1.7
117.06995	12.0
119.07721	3.4
119.08566	65.5
121.06445	8.4
121.10130	5.9
122.15781	1.7
123.00777	6.4
123.08077	8.7
125.09615	3.1
128.06204	3.5
129.06989	13.9
131.08482	4.0
133.06445	2.1
133.10133	9.4
135.08080	4.5
135.11647	2.8
137.09593	29.4
141.01840	3.1
143.07092	2.5
143.08537	8.3
145.10103	9.1
147.08023	10.2
147.11670	23.8
151.11159	2.7
155.08543	1.8
157.10075	2.4
159.11638	2.5
161.09605	3.7
161.13164	8.6
163.07503	1.8
163.11206	4.1
165.09097	21.3
169.01314	7.8
171.11662	19.3
173.02347	1.9
177.08978	1.8
183.10136	7.8
183.11581	2.0
187.11263	2.0
189.12704	7.6
207.13747	15.2
215.07007	5.7
227.12646	2.0
239.12712	14.1
249.14885	2.0
259.09732	3.3
277.10706	3.2
281.17477	14.8
301.06595	1.6
309.84424	1.7
350.95279	2.1
351.25186	2.8
445.25729	18.0
446.26175	2.2
458.73489	1.9
463.13492	4.3
463.26987	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32131	1.9
53.03935	10.3
55.01866	15.9
55.05505	42.7
56.37097	2.0
57.03428	10.1
67.05499	48.9
69.03419	7.7
69.07059	71.9
71.04977	6.5
71.20493	2.2
71.74236	2.6
73.02898	2.1
73.06539	6.5
73.53189	1.8
75.54086	1.9
77.03913	1.9
79.05482	81.9
80.74909	2.1
81.03409	45.4
81.07047	43.7
83.04971	8.9
83.08604	26.4
85.02903	4.4
85.06528	5.6
91.05470	41.9
93.07031	42.1
95.01325	3.7
95.04955	27.1
95.08603	16.0
97.02866	6.2
97.05978	1.8
97.06516	48.6
97.10149	46.4
99.00883	2.8
103.05462	2.9
105.07012	30.8
107.04942	64.9
107.08583	30.7
109.02854	8.2
109.06470	12.5
109.10146	12.9
111.04439	5.7
111.08076	6.0
115.05447	4.0
115.07555	4.7
117.06981	17.1
119.08562	19.3
121.02869	7.4
121.06493	23.6
121.10144	13.4
123.00785	11.5
123.04430	3.2
123.08060	8.4
123.11636	3.1
125.05950	11.1
125.09618	43.9
128.06219	2.7
128.86465	2.0
129.06999	9.9
131.04883	4.9
131.08549	15.7
133.06473	10.6
133.10092	14.9
135.04370	6.5
135.08025	21.8
135.11694	8.1
137.09618	8.1
141.01836	3.7
141.06926	4.7
143.07011	55.1
143.08559	7.3
143.10538	2.6
145.02715	2.5
145.06456	9.2
145.10095	12.5
147.04414	4.6
147.08035	17.0
147.11739	3.0
149.09604	7.6
151.03830	4.1
151.07521	5.7
153.07036	2.9
153.09096	7.6
155.08511	5.0
157.06435	2.8
157.10094	6.7
159.04350	3.3
159.08081	3.8
159.11673	4.1
161.02374	2.6
161.05942	4.2
161.08087	13.9
161.09613	7.1
163.03856	11.0
163.07526	8.6
163.11153	14.0
165.09128	6.1
167.08606	3.6
167.10651	3.5
169.01294	16.8
169.10083	4.9
171.08153	4.6
171.10139	3.7
171.11632	4.8
173.02382	7.3
173.09610	11.1
173.13248	6.6
175.03882	3.1
175.07550	3.9
175.11211	4.8
177.09061	5.6
179.03273	2.1
179.10561	3.3
180.04112	4.0
181.08578	3.1
181.10123	2.1
181.12146	2.7
183.11702	3.0
185.09627	4.9
187.07552	3.4
187.11174	5.6
189.09122	4.2
189.11211	25.2
189.12755	2.1
191.10651	44.6
191.14334	5.9
193.12206	5.6
199.09621	12.1
199.11348	4.0
199.13185	4.3
201.09067	2.7
201.12756	3.1
203.10623	4.9
209.11720	6.0
213.09200	3.2
215.07030	9.3
217.08620	3.3
217.12276	3.2
219.10309	2.3
219.13786	25.9
223.11166	2.9
225.11179	4.1
227.10759	3.9
227.12660	13.1
229.12131	2.3
231.13835	2.0
235.09576	3.6
235.13170	3.1
245.11691	2.7
247.13225	3.5
247.46921	2.3
249.14970	3.1
259.09628	12.3
263.12769	17.6
273.16986	6.8
277.10693	7.2
281.13629	2.8
284.06824	8.2
286.04846	2.2
293.17447	2.6
294.11026	2.4
295.42700	2.2
301.07141	6.7
307.17050	2.3
310.04666	3.6
312.06259	16.4
315.19568	4.1
321.18524	4.1
322.04834	4.1
325.18069	13.3
327.08569	32.2
327.19519	6.1
337.07037	8.1
337.16287	3.6
339.19540	11.6
343.18954	16.1
353.06525	3.4
353.10910	3.0
353.17490	7.4
357.20358	9.7
361.20053	5.2
367.08035	2.2
371.18454	11.8
379.20834	2.9
394.06747	11.4
409.09116	55.6
410.09262	4.5
417.22702	18.9
419.24463	5.0
427.10092	11.8
431.24319	25.9
435.23514	10.9
445.21552	19.2
460.91626	2.3
463.13666	6.4
463.22610	100.0
464.23486	5.5
469.19592	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.6
55.01866	13.6
55.05506	55.7
57.03416	6.4
62.41161	1.7
67.05500	36.7
69.03420	12.8
69.07063	50.6
70.06570	2.7
71.04958	3.5
72.77750	1.9
73.06544	5.1
79.05486	51.3
81.03407	49.1
81.07047	33.3
82.89232	1.7
83.04975	9.7
83.08608	30.5
85.02886	2.8
85.06535	2.9
87.50924	1.9
91.04922	2.5
91.05466	37.0
93.07037	23.3
93.50832	1.9
95.04968	18.6
95.08609	15.3
97.02868	4.7
97.06535	30.0
97.10161	56.3
102.44357	1.9
104.10721	3.3
105.07006	15.1
107.04946	38.0
107.08581	29.8
109.02855	7.4
109.06487	3.7
109.10142	7.6
111.04419	3.6
111.08068	4.7
115.05422	4.1
115.07552	2.2
117.03374	2.4
117.07001	17.5
119.08563	19.1
121.02836	7.1
121.06469	10.1
121.10111	4.9
123.00803	9.5
123.04398	5.5
123.08049	3.7
125.05968	6.9
125.09612	41.7
128.06204	2.9
129.06987	6.6
131.04893	2.3
131.08554	9.7
133.06459	7.5
133.10130	11.6
135.04388	3.2
135.08049	16.6
135.11673	6.2
137.05983	2.4
137.09587	8.5
141.01799	4.7
143.07016	30.1
143.08553	7.3
145.06453	4.9
145.10092	7.6
147.04381	4.1
147.08070	10.2
147.11655	3.7
149.09598	5.9
151.07523	3.0
151.11215	2.2
153.09100	4.1
155.08566	2.6
157.10088	5.4
161.08093	6.1
161.09576	8.2
163.03879	8.8
163.07509	6.7
163.11150	7.8
165.09071	8.6
169.01266	13.9
171.08012	3.9
171.10251	3.3
173.02348	3.1
173.09605	6.1
175.03891	1.9
175.07562	4.6
183.07936	1.9
189.09160	6.1
189.11194	36.8
189.12836	3.8
191.10658	47.1
199.09628	5.9
203.10793	1.9
205.12137	3.4
207.10170	3.6
209.11687	4.8
215.06944	7.2
215.10658	2.8
215.12674	2.1
217.08507	1.9
219.10196	2.6
219.13806	10.2
225.11176	5.7
227.12762	14.5
235.09712	5.0
247.13245	4.3
249.14807	4.6
259.09500	9.9
263.12787	8.8
265.14352	2.9
270.89273	2.1
277.10696	7.8
281.13794	3.7
297.18335	2.9
301.06927	4.1
325.17993	9.6
327.19385	5.8
328.40857	2.4
343.19012	12.1
353.17358	11.0
361.20010	7.5
369.46381	2.3
371.18542	10.3
373.35413	1.9
389.19226	3.5
407.90482	1.9
417.22675	14.4
419.24567	4.8
435.23572	9.6
445.22205	17.5
463.23135	100.0
464.23563	6.4
480.21091	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.1
55.01869	19.7
55.05277	1.4
55.05507	18.6
57.03434	8.3
57.07051	1.3
59.04974	3.6
61.75941	0.9
64.25739	1.1
65.03903	3.3
67.05501	32.7
69.03397	3.6
69.07063	7.9
71.01334	1.6
71.04961	4.5
71.74870	2.0
77.03886	1.3
79.05488	70.0
81.03416	23.1
81.07051	28.3
83.01347	10.2
83.04974	16.1
83.08624	10.1
85.02905	5.5
85.06529	1.6
91.05473	100.0
92.05779	1.8
93.07040	53.9
95.04955	14.2
95.08088	1.1
95.08602	12.3
95.56712	1.3
97.02860	2.2
97.06522	11.0
97.10138	3.8
99.04391	2.9
103.05417	1.7
105.04508	1.2
105.07024	19.2
107.04946	21.5
107.08589	45.1
109.02833	1.9
109.06509	10.7
109.10169	6.9
111.04405	4.3
111.08046	3.4
113.05935	1.3
115.05440	12.3
117.07011	62.8
119.07871	1.2
119.08583	14.4
121.06519	6.0
121.07254	1.5
121.10139	10.8
121.61838	1.0
123.00757	2.2
123.04326	1.2
123.08047	9.7
125.05959	2.2
125.09593	3.3
128.06096	1.2
129.05414	2.0
129.06972	2.8
130.07759	2.4
131.08559	6.4
133.06459	1.2
133.10141	5.8
135.04344	1.4
135.08047	67.1
135.11676	13.6
136.08479	1.2
136.38150	1.1
137.05971	1.8
137.09576	4.8
139.07608	1.0
141.01779	1.2
143.08566	2.0
145.06435	2.6
145.10114	17.0
147.07974	3.3
147.11639	2.4
149.09557	1.9
151.07498	1.2
151.11092	1.7
153.09052	3.3
153.12668	4.7
155.08572	2.0
163.03847	1.5
163.07507	7.8
163.11165	29.4
164.11526	1.3
169.01262	3.5
171.09741	1.2
173.02249	1.1
173.09592	4.2
181.08546	3.8
181.12181	3.7
189.09004	1.2
191.10625	4.5
193.12128	1.7
199.09621	5.8
209.11638	7.9
215.06989	2.4
227.12686	3.4
253.14215	1.5
259.09515	2.3
283.15250	3.7
317.50745	1.1
325.55453	1.0
336.98007	1.3
463.13486	3.5
463.23004	43.3
464.23349	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.4
55.01845	0.7
55.05489	0.4
57.03424	1.3
65.03911	0.3
66.21209	0.2
67.05467	0.5
68.53667	0.2
68.99773	0.4
69.03397	0.4
69.07027	0.6
70.06555	0.2
70.10406	0.9
71.04955	0.4
75.04442	0.3
79.05437	0.7
81.03408	0.8
81.07018	0.2
85.02853	0.6
86.09660	0.5
87.04433	0.4
89.03875	0.3
91.05431	0.5
93.03378	0.2
93.07002	0.4
95.04907	0.7
95.08570	0.3
97.02858	0.3
97.06483	0.7
99.04401	0.5
100.11211	0.4
105.03350	0.2
105.06963	0.3
107.04910	0.3
107.08573	0.2
109.02850	0.4
109.06467	0.2
109.10104	0.2
111.04396	0.2
115.05412	0.2
117.03366	0.4
119.04913	0.3
119.08533	0.2
120.08049	0.6
121.02853	0.3
121.06448	0.4
121.10113	0.3
123.00812	0.5
127.03893	1.5
134.03551	0.3
135.04349	0.7
137.02280	0.9
141.00815	0.2
141.01797	2.1
145.02783	0.5
147.04320	0.2
148.05193	0.2
149.02290	0.4
149.05943	2.7
151.03874	4.2
153.01828	0.4
155.38943	0.2
160.01514	0.2
161.02274	0.5
161.05946	0.2
163.02602	0.3
163.03871	2.9
165.01805	12.6
165.09186	0.2
166.02184	0.2
167.03395	1.2
169.01248	0.3
173.02255	0.3
175.03868	1.2
177.01834	0.3
177.05414	0.3
179.03328	1.0
182.15392	0.4
183.02859	7.5
184.03157	0.2
187.03798	0.3
189.01782	0.8
191.03314	1.3
193.04909	0.4
195.02898	0.8
197.00725	0.3
205.01295	0.4
205.04933	0.5
207.02838	0.6
209.00691	0.3
215.03369	0.6
215.06998	0.4
217.04886	0.3
217.15395	0.2
223.02332	0.5
227.06500	0.2
229.04918	0.2
233.04388	0.7
235.05865	0.2
243.06450	0.6
244.03583	0.2
251.05479	0.4
254.05756	0.6
257.04346	0.4
258.05206	2.0
259.06042	0.4
259.09567	0.3
261.03793	0.5
266.05682	0.7
267.06583	0.4
268.07190	0.8
270.05173	5.4
270.08124	0.3
271.05908	1.9
272.06836	0.2
273.03989	1.4
277.55792	0.2
281.04578	0.2
282.05258	3.3
282.08685	0.5
283.05792	0.3
284.03494	0.3
284.06683	2.6
285.07397	0.5
286.04675	4.9
286.07935	0.4
287.05255	0.3
292.07300	0.6
294.05237	1.8
295.05911	0.6
296.06732	5.9
297.07446	2.0
298.04672	25.4
299.05270	1.6
300.06213	3.0
301.06998	14.4
302.04074	0.4
302.07352	0.5
307.09543	0.2
309.07495	2.1
310.04636	5.0
310.08307	5.0
311.05322	0.5
311.08987	5.1
312.02588	0.6
312.06171	7.0
313.06998	100.0
314.04343	0.4
314.07571	8.3
317.06549	1.7
320.06689	1.9
321.07648	0.3
322.04730	1.9
323.05341	0.6
324.02820	0.3
324.06216	5.9
325.07022	9.8
325.10577	0.9
326.04114	1.0
326.07645	1.3
327.04953	1.1
327.08533	10.4
328.05692	6.6
328.08881	0.4
329.06509	3.4
335.08994	1.0
337.06995	7.7
338.04086	1.7
338.07745	10.2
339.04889	1.4
339.08566	13.5
340.05679	0.8
340.09085	0.6
341.06467	6.6
341.10236	1.8
342.06998	1.2
343.08057	23.7
344.08411	1.0
348.06165	2.1
349.07077	0.2
350.07819	0.3
352.05667	1.5
353.06351	5.6
353.10150	19.6
354.06784	0.3
354.10544	0.8
355.08023	3.1
363.08502	3.7
365.06525	1.8
365.10297	0.5
366.07214	2.2
367.08075	8.0
368.08502	0.4
371.07370	0.9
371.11526	0.2
373.09290	0.5
376.05786	0.8
381.09631	20.6
382.09988	1.2
383.07520	4.3
384.08115	0.2
391.08060	2.5
394.06772	3.1
399.05408	0.3
399.10675	4.9
401.08655	0.3
409.09106	44.5
410.09396	2.1
427.10175	63.0
428.10583	2.9
445.11215	10.7
446.11227	0.4
463.12442	1.1
463.23181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
55.01861	1.2
55.05500	0.3
57.03437	1.3
60.04482	0.3
65.03911	0.3
67.05470	0.9
68.54071	0.2
68.99776	0.6
69.03394	0.9
69.07029	1.0
71.04937	0.7
71.54556	0.5
72.08124	0.7
72.71762	0.2
73.02871	0.3
73.65263	0.2
79.05495	1.2
81.03413	1.6
81.07006	1.0
85.02860	0.9
86.09697	2.7
87.04414	0.4
89.03889	0.2
91.05439	0.9
92.34859	0.2
93.03374	0.3
93.06992	0.7
95.04933	0.6
95.08571	0.5
97.02885	0.3
97.06527	1.5
99.04401	0.5
103.03674	0.2
105.03373	0.3
105.07006	0.6
107.04932	0.5
107.08535	0.4
109.02830	0.7
109.06470	0.2
109.10148	0.5
117.03362	0.3
117.06957	0.3
119.04844	0.2
119.08507	0.3
120.08073	1.8
121.02812	0.5
121.06483	0.3
123.00761	1.0
127.03896	1.4
131.08524	0.4
133.10120	1.2
134.03610	0.4
134.10440	1.1
135.04344	0.3
135.07988	0.3
137.02350	2.5
137.09534	0.4
140.10730	0.2
141.01801	2.5
143.06972	0.3
145.02773	0.3
147.04378	0.4
149.02261	0.7
149.05971	2.2
151.03880	4.9
151.05008	0.3
153.01799	0.6
159.04424	0.4
161.02280	0.7
161.05939	0.4
163.03847	1.9
163.07584	0.3
163.11264	0.2
165.01820	14.4
165.09029	0.6
166.02084	0.2
167.03365	1.4
169.01251	0.9
173.02275	0.3
175.03819	0.9
177.01749	0.5
177.05527	0.4
179.03378	1.3
183.02859	9.1
187.03854	0.6
189.01773	1.1
191.03325	0.6
193.04904	0.4
195.02838	0.6
197.00754	0.3
197.06052	0.3
199.03870	0.3
205.04964	0.8
207.02834	1.0
209.00775	0.4
215.06998	0.8
217.04797	0.2
217.15491	0.6
219.14893	0.5
223.02136	0.3
233.04364	0.5
243.06502	0.8
245.04396	0.3
247.14433	0.7
251.05437	0.6
253.04919	0.4
254.05721	0.3
258.05203	1.8
259.05936	0.8
259.09650	0.7
261.03952	0.5
266.05658	0.9
268.07233	0.9
269.08023	0.4
270.05194	6.2
271.05899	1.2
272.06754	0.5
277.10809	0.4
279.04913	0.4
281.04288	0.4
282.05191	3.7
282.08408	0.4
283.05804	0.8
284.03629	0.4
284.06699	3.3
285.03815	0.3
285.07449	0.6
286.04700	5.1
286.08176	0.8
287.05380	2.2
292.07162	0.5
294.05234	3.0
295.05893	0.9
296.06747	7.8
297.04196	0.5
297.07455	2.9
298.04681	26.1
299.05435	11.6
299.08267	0.3
300.06177	3.9
301.07007	13.9
302.07242	0.4
309.07501	3.1
310.04630	6.1
310.08319	4.7
311.05368	2.5
311.09073	6.7
312.02814	0.5
312.06219	8.8
312.09341	0.4
313.07007	100.0
314.07614	7.6
315.04929	4.2
315.08334	0.4
320.06689	1.8
322.04700	2.6
323.05453	1.4
324.02448	0.3
324.06268	8.7
325.07040	15.3
325.10590	1.0
326.04156	0.7
326.07626	1.4
327.04919	1.8
327.08511	14.0
328.05701	5.7
328.08856	0.3
329.06369	2.3
335.08899	1.1
337.07010	12.4
338.04056	1.4
338.07733	10.1
339.04895	2.3
339.08578	21.9
340.05594	0.8
340.09012	0.6
341.06476	8.2
341.10220	1.7
342.07169	1.3
343.08072	25.7
344.08331	0.9
348.06146	2.4
349.06979	0.5
350.04007	0.5
350.07919	0.4
352.05490	1.4
353.06375	6.0
353.10165	14.2
354.06897	0.6
354.10696	0.6
355.08047	4.1
359.07544	0.4
363.08563	4.5
365.06473	3.8
365.10373	0.8
366.07214	3.0
367.08063	13.1
368.08813	0.5
369.06189	0.4
371.07474	0.6
371.11539	0.3
373.09097	0.5
376.05737	1.0
377.06439	0.4
381.09641	23.4
382.09735	1.1
383.07550	6.3
384.08005	0.4
385.09155	0.4
391.08047	3.3
394.06833	3.1
395.07574	6.8
399.10739	5.8
409.09125	43.2
410.09335	1.8
413.08643	4.1
427.10190	66.1
428.10446	2.7
431.09634	0.7
445.11212	14.5
446.11389	0.6
463.12393	1.3
463.22928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03423	1.1
59.95825	0.7
61.02921	1.1
63.14351	0.9
68.99806	0.7
69.03422	1.0
69.69254	1.5
69.69657	4.2
71.01349	0.6
73.02895	1.2
77.86655	0.6
81.03403	1.8
82.31636	0.5
85.02888	2.8
97.02874	1.8
97.06516	1.8
107.68013	0.6
109.02842	1.5
110.23718	0.6
111.04382	0.6
112.99706	0.6
121.02821	1.1
123.00757	1.1
127.03865	0.7
137.02298	0.8
141.01826	1.5
149.02284	1.1
149.05968	2.1
151.03871	6.4
151.04929	1.0
163.03947	1.0
163.11064	0.7
165.01820	11.6
167.03394	1.7
172.39171	0.7
175.03917	1.2
177.01785	0.8
183.02858	5.1
187.03915	0.7
191.03374	0.9
191.10612	0.8
195.02869	2.2
205.05045	1.1
215.07129	0.8
217.25117	0.7
243.06535	1.8
254.05658	0.8
258.05066	1.3
259.06033	0.8
259.09583	0.7
263.22595	0.7
268.07333	1.8
269.07773	0.7
270.05130	4.3
271.06012	3.1
282.05209	6.2
286.04697	1.5
287.05435	1.2
296.06808	9.7
297.07458	4.0
298.04681	21.6
299.05179	1.3
300.06253	7.0
301.06970	5.7
308.06720	1.4
309.07687	1.1
310.04642	5.9
310.08310	5.9
311.05951	0.9
311.09039	4.9
312.06241	2.6
313.07025	100.0
314.07651	8.2
315.08170	0.8
320.06766	1.7
322.04477	0.8
323.05457	0.9
324.02557	0.6
324.06210	11.2
325.07004	6.6
325.10602	2.1
327.08640	2.1
328.02017	1.3
328.05737	16.4
328.09628	1.0
329.05872	0.9
335.08951	1.5
336.06177	1.8
337.06973	1.9
338.07837	7.0
339.04919	1.4
339.08578	14.9
340.98755	0.7
343.08090	71.8
344.08310	2.7
348.06238	2.5
351.08575	2.6
352.05692	1.3
353.10175	15.0
355.08057	1.2
363.08499	2.5
364.05637	2.7
365.06329	1.1
366.07153	1.4
367.08081	44.4
368.08310	1.5
376.05588	1.8
379.08075	12.5
380.08475	0.8
381.09390	3.2
391.08084	9.5
394.06757	2.7
397.09137	23.8
398.09558	1.0
409.09113	23.0
410.09702	0.9
427.10172	23.4
427.16031	1.3
428.10611	1.4
445.11261	13.9
463.12027	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1232
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
58.08437	0.1
69.07043	0.1
70.99365	0.2
73.38804	0.1
76.08443	0.1
79.05480	0.1
81.07031	0.2
86.09697	0.2
91.05464	0.1
97.06513	0.5
107.04959	0.1
113.29466	0.1
115.18174	0.1
119.04915	0.1
123.00702	0.1
149.05951	0.1
153.01848	0.5
168.00552	0.3
169.01344	0.1
186.01602	0.2
229.04970	0.4
257.04559	0.2
258.05215	16.4
259.05505	0.6
259.09659	0.2
269.04190	0.1
277.10791	0.2
286.04688	39.8
287.05066	1.5
288.40656	0.1
300.06091	0.1
301.07031	100.0
302.07370	3.6
399.75610	0.1
421.47635	0.1
463.12415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0867
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
55.01855	0.2
55.05487	0.1
57.03412	0.3
61.02903	0.5
66.28059	0.1
67.01841	0.5
67.05508	0.5
68.99780	0.6
69.03400	0.4
69.07037	0.2
69.91835	0.7
70.06573	0.2
72.08128	0.2
73.02901	0.3
79.05468	0.6
81.03410	0.3
81.07041	0.3
83.04941	0.2
85.02883	0.6
85.77021	0.1
86.09668	0.2
89.03926	0.3
91.03928	0.3
91.05450	0.3
93.07015	0.3
95.01308	0.1
95.04950	0.2
97.02876	0.6
97.06499	0.9
97.10152	0.1
98.21408	0.1
101.02347	0.1
103.05454	0.1
105.73507	0.1
107.04933	0.5
107.08579	0.1
109.02846	0.2
109.10107	0.2
111.04420	0.3
117.03349	0.2
119.08527	0.1
121.02797	0.1
121.10128	0.3
123.00767	0.3
127.03871	0.2
129.01816	0.2
135.04399	2.0
135.11598	0.3
137.02304	0.6
141.01784	0.2
145.10104	0.2
151.03862	0.2
153.01797	4.6
153.12782	0.1
161.02306	0.5
163.03859	0.3
163.11174	0.4
169.01282	0.5
171.02885	0.9
173.02338	0.2
173.09552	0.3
177.09013	0.1
179.03394	0.3
181.12146	0.2
185.05873	0.1
190.08209	0.1
191.07001	0.3
191.10632	0.5
201.05559	0.1
203.03378	0.1
209.11734	0.3
213.05406	0.2
215.07054	0.4
222.08873	0.3
227.12712	0.4
229.14400	0.1
241.04890	0.7
245.04521	0.2
258.05356	0.1
259.05957	0.2
259.09567	0.3
265.14316	0.2
269.04382	0.4
270.04977	0.1
277.10699	0.2
283.15320	0.2
287.05447	100.0
288.05789	2.9
301.07013	0.3
301.16412	0.4
435.88962	0.1
463.08630	2.2
463.21317	0.2
464.08664	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39454	0.7
58.27510	0.8
62.08875	0.8
63.64622	0.8
64.68203	0.9
70.13470	4.7
73.70193	0.7
79.36494	0.9
92.63776	0.9
94.92954	1.6
97.02930	0.9
112.89600	4.5
114.21037	0.7
118.38921	0.9
119.01910	1.8
120.96655	1.6
133.17604	0.9
138.96422	1.4
143.01880	0.9
150.97668	0.8
156.97475	8.6
161.02946	1.2
173.02959	2.0
174.98541	7.9
180.97452	26.4
180.98991	1.4
181.97595	0.9
185.02951	2.5
192.97475	2.4
197.02904	1.3
198.98518	100.0
199.98703	3.2
201.00166	1.1
210.98535	11.1
213.00113	1.1
216.99576	33.2
222.00159	4.4
222.98532	2.3
225.00092	0.9
228.99541	7.8
232.03488	1.1
232.90140	2.9
234.98485	4.7
240.01227	0.9
240.99545	22.9
245.05191	4.6
247.00681	1.7
252.99554	4.4
259.00684	11.1
264.99652	1.0
271.00671	2.0
277.01743	2.7
282.02304	1.2
283.00629	17.6
295.00806	1.2
301.01724	23.9
302.01776	1.2
319.02628	6.0
343.02734	2.3
365.10379	1.7
381.07758	1.4
403.04871	7.1
463.06888	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01860	3.7
55.05496	1.8
57.03157	2.1
57.03430	41.1
60.04488	1.8
61.02929	15.9
67.05495	3.2
69.03423	35.6
69.07051	3.5
70.06554	2.4
71.01335	6.5
71.04994	3.2
71.74174	2.0
71.74536	2.0
71.77604	1.5
73.02908	100.0
79.05474	5.2
81.03415	9.2
81.07027	4.4
84.04472	1.7
84.88387	1.5
85.02894	64.8
87.04471	3.2
91.03959	2.5
91.05467	5.4
93.07022	2.9
95.04949	2.3
95.08616	2.6
96.04449	1.5
97.02882	66.5
97.06516	6.2
99.04433	5.2
105.07004	2.5
107.04927	3.2
107.08548	3.6
109.02856	6.9
109.06512	50.4
109.10159	2.2
113.88349	1.5
115.03922	67.3
121.10059	1.7
123.00750	2.0
127.03889	25.9
132.06503	3.4
133.04959	18.9
144.06517	3.9
145.04953	29.1
149.05991	1.6
150.07637	8.6
151.11166	55.0
159.99327	1.6
161.09523	2.4
162.07600	3.9
163.05998	4.7
163.07411	1.7
163.11089	1.7
165.01823	1.5
169.01338	2.5
180.08650	8.1
203.03716	1.8
215.06865	3.0
223.05980	6.2
241.07065	6.9
259.09854	2.9
263.20221	2.0
295.10159	2.7
301.07028	3.9
313.06931	3.7
314.07562	3.1
335.94568	1.7
344.08383	2.4
363.08670	2.2
463.13535	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01861	10.0
55.05499	2.3
57.02212	0.9
57.03427	17.6
59.04996	1.9
60.04522	1.4
61.02920	17.5
67.05492	2.6
69.03421	32.8
69.07065	1.8
71.01341	4.9
71.04982	2.3
72.04509	1.1
73.02906	100.0
75.04484	1.0
78.53410	0.9
79.05482	3.0
81.03395	6.3
81.07043	3.5
85.02895	76.4
85.06507	1.1
86.09665	0.9
87.04451	5.4
91.03937	3.5
91.05471	3.3
91.10018	1.0
93.07007	2.2
95.01295	1.1
95.04955	1.8
95.08586	1.3
96.04459	1.4
97.02879	49.8
97.06514	4.4
97.72809	1.0
99.04437	3.9
100.11286	1.1
103.03903	2.7
105.07051	1.4
107.04938	3.3
107.08567	2.3
109.02871	6.3
109.06496	27.7
115.03915	28.7
118.60753	1.0
119.08584	1.7
121.06480	1.7
123.00761	1.8
123.04376	1.2
127.03899	22.5
131.08574	1.2
132.06563	2.0
133.04948	27.6
133.10100	3.7
139.03886	1.5
144.06564	1.6
145.04948	29.2
149.09659	1.1
150.07570	5.2
151.11162	24.1
162.07709	1.3
163.03828	1.7
163.05980	8.2
163.07349	1.6
163.11205	1.6
165.01755	1.1
169.01228	1.1
173.02382	1.1
175.11200	1.3
180.08681	3.8
181.04910	1.5
182.15437	1.1
187.07584	1.3
187.67699	1.0
191.03357	1.4
193.04866	1.8
199.06003	1.6
211.06073	1.3
215.06972	1.9
217.07141	1.2
223.05965	4.3
241.06958	5.5
259.07748	5.5
286.04761	1.8
296.06638	1.4
298.04535	2.8
301.06961	3.6
310.04840	1.5
313.07004	12.1
314.07709	2.0
325.06973	1.9
327.08481	1.5
328.05997	1.1
330.06696	1.7
331.15097	1.2
339.08707	2.7
343.08063	3.9
344.08359	2.6
353.06479	1.5
353.10263	2.9
367.08206	1.2
381.09512	3.6
383.07343	1.3
398.51111	1.1
399.10797	1.6
409.09286	5.7
427.10098	8.5
445.11209	2.9
463.12997	1.9
463.22974	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01855	1.8
55.05492	0.6
57.03418	2.1
60.04531	0.7
61.02927	3.9
64.39635	0.6
65.03916	0.8
67.05489	0.9
69.03426	8.1
69.79202	0.6
69.79530	5.0
70.02132	0.6
70.02930	2.4
70.06577	3.4
71.04977	0.8
72.08155	0.9
73.02901	2.4
73.23657	0.6
74.00660	3.8
74.76686	0.5
76.99878	0.8
79.05473	1.2
81.03400	3.4
84.04485	0.9
84.08107	1.0
85.02895	19.1
85.35229	0.7
86.03223	0.6
86.09696	4.0
87.04447	2.2
88.03979	54.2
91.03930	1.8
91.05458	2.6
93.03398	3.9
93.07040	1.0
95.04918	0.8
97.02882	7.6
97.06513	1.2
103.05455	2.1
105.07001	1.1
107.04890	0.9
109.02840	2.2
109.10120	1.1
115.03893	1.1
117.03371	1.5
118.04157	1.5
119.04949	3.3
120.01137	6.6
120.08064	1.0
122.02661	1.2
123.02644	4.1
127.03906	3.8
127.07619	0.6
131.04883	2.1
132.05679	2.5
133.01097	1.2
133.04848	0.8
137.05946	0.7
145.02896	0.7
145.04971	3.2
146.02681	0.7
146.03598	16.6
147.04431	4.7
148.05122	1.0
149.05962	7.3
151.02110	12.7
160.05177	1.1
163.02097	0.9
163.03876	4.2
165.03664	2.2
169.01230	0.8
177.05450	10.2
177.80556	0.7
178.06230	56.1
179.01596	43.1
179.06871	3.0
181.03116	3.4
193.03185	2.8
195.04755	0.7
196.01868	2.7
211.04213	100.0
212.04582	3.0
213.05759	5.3
215.07062	0.9
217.08263	0.8
221.80362	0.6
222.07639	0.6
243.08633	1.3
254.08472	1.3
259.09625	1.1
283.06366	2.1
300.05548	1.6
300.08963	32.5
301.09372	1.3
313.07031	1.2
373.09531	3.2
387.11676	0.7
462.14334	2.6
462.26401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
55.01858	2.6
55.05505	26.6
57.03418	6.4
57.07061	3.8
59.05004	3.2
62.61512	1.7
65.03929	3.3
67.05499	100.0
69.07067	12.7
71.04971	2.7
79.05483	50.6
81.07053	47.6
83.04968	4.1
83.08627	9.6
85.06548	4.2
91.05466	40.4
93.07036	51.1
95.04952	8.7
95.08604	26.1
97.06490	2.8
97.10172	5.7
99.08060	1.7
105.07021	30.0
107.08578	20.1
109.06496	4.4
109.10148	58.6
109.10870	4.0
111.08051	4.6
113.75151	2.2
117.07003	11.5
119.08581	26.2
121.06516	3.5
121.10135	28.9
123.08035	2.8
123.66109	2.1
125.09621	3.9
129.06996	6.8
130.07872	1.9
131.08565	18.4
133.10109	22.2
135.11673	11.6
137.09593	5.7
143.08517	9.9
145.10109	20.4
147.11703	13.1
149.09607	3.9
149.13228	3.8
155.08578	4.4
155.10699	2.4
157.10071	9.6
159.11661	14.5
161.13310	4.9
169.10172	5.4
171.11723	8.7
173.11740	19.2
173.13268	9.5
183.11723	4.9
185.13239	5.4
187.14819	3.1
197.13226	4.1
199.14784	5.8
211.14816	3.6
213.16290	2.5
215.18025	4.5
225.16360	2.7
229.14383	5.2
229.58656	1.8
231.17407	3.0
233.19058	2.4
239.18073	3.4
271.20630	3.6
289.21506	2.4
342.06464	1.8
349.23935	3.9
351.26813	14.9
363.25351	4.6
369.27829	19.9
387.28784	4.6
443.31644	13.1
461.32629	99.7
462.32825	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20365	1.8
53.03939	16.3
55.01856	15.9
55.05501	24.8
57.03422	11.4
57.07068	5.2
59.04979	4.1
61.02910	7.6
62.56238	1.6
67.05498	10.4
67.68201	1.7
68.99785	4.6
69.03421	68.4
69.06679	2.6
69.07056	47.4
71.04971	14.0
71.32063	3.4
73.02909	11.5
77.52023	1.5
79.05482	7.6
81.03407	63.1
81.07041	26.4
83.04969	15.9
83.08604	8.4
85.02893	100.0
85.06535	18.4
86.09720	2.3
87.00816	39.1
91.03940	2.8
91.05502	1.8
93.07036	10.8
95.08599	38.5
97.02881	36.1
97.06535	9.9
97.10139	10.6
99.04440	22.9
99.08076	31.2
105.01858	30.3
105.07014	3.1
107.08572	21.9
109.02863	63.0
109.10135	14.3
110.19440	1.7
111.08087	2.9
111.11695	8.8
113.09627	11.3
115.03906	2.7
117.01871	5.8
118.86434	1.7
119.08543	1.9
121.10117	31.7
123.11665	10.0
125.02430	1.8
125.09604	7.6
127.03897	98.9
129.01830	7.9
129.12753	1.9
133.10139	6.5
135.11665	14.3
137.13223	19.4
139.11172	7.7
145.04939	31.1
147.02876	7.4
149.13246	4.4
151.14804	4.9
153.12701	16.2
159.02876	34.3
177.16357	71.8
181.01587	1.6
189.03883	2.0
195.17416	71.2
213.04025	4.0
213.18471	61.1
231.04997	19.0
299.05542	1.8
317.06653	2.1
461.23547	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51011	0.8
55.05505	7.1
57.05795	2.0
71.27855	2.1
72.08148	100.0
81.58496	1.0
85.02887	1.9
97.02869	1.3
103.72153	0.8
116.89090	1.6
118.08645	70.2
127.03893	1.6
145.04924	1.0
163.05997	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.7
56.05031	1.2
57.05811	1.2
60.04519	1.3
60.20792	0.6
61.66705	0.6
69.03418	1.3
69.07034	1.1
70.02942	10.3
70.06585	7.1
71.31490	1.3
72.08147	100.0
73.08493	0.8
74.06075	3.6
79.05482	1.0
81.03420	1.6
84.04495	2.8
84.08129	5.8
85.02885	1.7
86.09698	20.2
87.05584	20.3
88.03981	22.2
96.04477	1.9
97.02945	0.8
97.04002	5.5
98.02401	15.6
99.05574	1.2
101.07143	0.8
113.07140	1.6
115.05022	3.6
120.08051	1.2
124.03956	1.6
124.07617	0.9
125.03492	2.6
127.03929	1.0
127.08654	1.9
129.10242	3.1
131.11784	0.8
132.10179	4.7
139.04979	4.7
141.06602	2.4
141.10233	1.8
142.06140	2.3
142.08652	2.7
143.04507	18.2
143.11876	1.0
147.04419	1.8
152.07088	2.9
157.06094	7.5
158.09323	1.3
167.04510	11.1
169.01472	0.8
169.09737	1.5
171.04015	1.4
177.05531	0.8
184.07161	18.3
185.05568	15.3
187.10754	8.5
195.04149	1.2
197.09271	1.9
202.08212	17.7
212.06728	3.4
213.05188	4.1
215.10303	2.5
219.02905	2.9
220.03250	1.9
224.10251	5.2
225.03911	1.1
230.07698	59.2
230.11473	1.7
231.08089	1.1
231.17001	11.7
231.19084	1.0
234.04831	0.8
242.15021	1.0
249.08783	1.7
252.09790	0.8
261.04041	4.1
262.04269	4.3
266.11227	1.5
267.09875	2.2
270.10846	4.8
283.14105	1.6
284.12506	2.7
286.04333	0.8
292.05341	0.8
294.10971	3.2
295.09399	0.8
299.21671	0.8
301.15115	2.6
304.05316	1.4
311.13577	2.7
312.11917	6.0
327.08954	0.9
328.08893	1.3
329.14520	37.8
330.13373	0.9
340.08292	1.2
356.18195	1.5
394.10175	1.1
424.11572	0.7
460.18695	16.9
461.19339	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
55.01864	11.8
57.03430	5.7
59.04986	0.7
60.04513	0.7
61.02919	7.2
65.03931	0.7
68.99774	4.1
69.03419	30.6
70.65684	1.9
71.01340	1.1
71.04984	4.9
73.02910	10.1
79.05483	1.9
81.03406	35.2
81.07050	0.6
83.01314	1.3
85.02894	85.6
86.03212	0.8
87.00818	32.4
87.04459	1.1
91.03944	3.2
91.05474	1.4
93.03384	1.0
95.04988	0.8
97.02878	36.6
97.06544	0.6
99.04443	16.2
103.05452	6.9
105.01853	24.3
105.07018	7.5
107.04949	5.6
108.04462	3.1
109.02860	32.9
115.03897	1.1
117.01837	5.5
117.06979	0.8
120.05733	1.1
121.06519	0.7
126.05494	1.9
127.03897	65.7
128.04286	0.6
129.01816	4.7
131.04919	0.7
133.06502	0.6
135.08037	24.7
137.05981	0.7
139.03886	13.5
141.01817	0.8
145.04935	33.2
147.02853	2.8
154.06226	32.3
155.06570	0.9
159.02869	22.5
159.08012	0.6
163.03960	0.7
163.07515	14.5
164.08228	1.3
167.07010	7.5
177.03899	1.0
178.06255	1.7
180.07805	2.2
189.03885	1.6
195.10141	100.0
196.10454	1.7
204.07727	0.7
213.03954	2.9
219.10136	5.0
220.07196	0.5
230.06618	0.9
231.04953	11.4
237.11095	0.8
248.07710	1.2
261.11160	3.2
285.11096	1.7
303.12119	3.4
313.07010	0.8
343.07968	1.8
442.31503	0.7
443.09174	1.2
469.46854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.4
55.05504	7.6
57.03430	2.1
57.07058	2.0
59.05000	2.4
61.33591	1.4
67.05495	17.9
69.03432	8.6
69.07054	15.4
69.82956	7.5
70.06591	1.6
71.04987	3.8
79.05483	3.2
81.03411	6.7
81.07044	24.6
83.04980	10.4
83.08611	8.6
85.02898	9.6
85.03331	1.4
85.06538	4.6
86.09695	1.9
87.00835	2.5
91.05469	5.7
93.07021	7.1
95.04961	2.6
95.08600	34.2
97.02883	6.1
97.10158	1.9
99.04430	2.4
99.08077	4.9
105.01850	3.5
105.07024	7.2
107.08580	25.7
109.02856	2.6
109.06532	8.9
109.10147	94.3
111.08057	3.5
119.08574	34.2
121.10112	12.7
122.12075	1.5
123.08057	12.7
123.11698	8.6
125.09679	2.5
127.03909	7.0
133.10117	19.6
135.11681	85.3
136.12045	2.0
137.09575	16.9
139.11148	2.4
145.10141	1.9
149.13257	5.9
151.11162	9.9
151.14821	12.8
153.12767	3.4
155.10674	2.1
157.14929	1.4
159.02934	2.2
175.14815	39.1
193.15863	51.3
193.17560	3.3
211.16910	100.0
313.06946	2.3
392.78577	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
55.01880	1.6
55.05506	13.5
57.03420	3.2
65.03930	4.1
66.07644	1.0
67.05499	43.3
69.03426	2.6
69.07054	8.2
70.08350	4.0
71.04984	2.7
72.43791	1.0
73.82803	1.0
79.05484	50.0
81.03413	13.9
81.07050	34.2
81.07531	1.7
83.04970	13.9
83.08620	6.1
85.06525	1.5
91.05470	100.0
93.07034	32.6
94.61678	1.1
95.04951	15.4
95.08596	15.1
96.32522	1.0
97.02870	2.3
97.06547	5.7
97.10162	2.3
98.77855	1.1
103.05415	1.1
105.07014	46.1
107.04943	7.8
107.08585	11.8
109.06509	7.1
109.10165	3.2
110.48664	1.1
111.08099	2.0
115.05444	1.3
117.06990	10.2
119.08577	18.1
121.06480	1.7
121.10137	4.5
123.08061	3.7
127.07549	1.6
128.06201	2.2
129.06992	10.1
131.08551	7.5
133.10117	45.0
135.08058	3.8
135.11702	1.8
137.09645	1.4
143.08545	7.6
145.10109	6.9
147.08092	2.6
147.11667	17.3
149.09579	5.6
151.11116	6.3
157.10126	1.8
159.11743	1.3
161.09610	15.9
161.13260	8.0
163.11182	2.1
171.11690	17.3
179.10641	8.5
179.14299	1.9
183.11842	1.5
189.12723	6.9
197.11757	3.7
204.97800	1.2
207.13757	14.4
225.14787	1.8
234.09926	1.3
281.17450	13.0
303.20776	1.1
367.22781	1.8
385.23187	1.2
389.23029	1.5
441.26031	1.6
459.27338	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.9
55.01857	2.0
55.05504	5.7
57.03420	3.8
57.07056	3.3
59.04999	2.1
59.51708	2.1
59.54741	1.8
62.03562	1.8
63.64424	1.8
67.05501	19.8
69.03408	11.1
69.07066	14.1
70.87569	4.7
70.87946	4.1
71.04965	2.9
75.78442	1.6
79.05484	4.4
80.07687	1.7
81.03412	5.8
81.07047	24.4
81.42342	1.9
81.78978	1.8
83.04982	11.6
83.08611	8.3
85.02888	13.8
85.06544	4.5
87.00819	3.8
91.05479	3.8
93.07036	8.9
95.04981	2.5
95.08591	35.7
97.02878	5.5
97.10139	2.3
99.04453	2.7
99.08068	2.4
105.01852	2.6
105.06994	9.4
107.08577	19.3
109.02875	4.1
109.06502	8.3
109.10141	100.0
119.08573	32.8
121.10119	13.0
123.08076	10.7
123.11677	7.7
125.09560	2.4
127.03903	8.1
133.10117	23.2
135.11673	92.6
137.09596	19.6
139.72241	1.9
149.13257	5.4
151.11180	7.3
151.14857	10.2
153.12820	2.7
159.02715	2.1
165.16431	2.7
175.14801	41.2
193.15862	51.7
211.16904	89.5
240.15923	2.3
459.17828	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1834
Annotation	Tyr Asn Tyr
Peak:m/z	Relative Intensity
51.46244	0.2
56.43216	0.2
63.06898	0.2
70.06571	0.5
70.44907	0.3
71.31756	0.4
71.32087	0.4
72.08144	2.3
81.03394	0.4
84.08122	0.3
84.96365	0.3
85.02898	0.7
86.09717	1.3
87.05589	0.4
93.03382	0.6
109.02911	0.3
123.04421	0.4
133.03487	0.5
137.06003	0.3
162.06268	0.3
175.00195	0.3
177.05432	0.3
195.02974	0.4
201.06203	0.3
203.05159	0.4
207.02924	0.7
213.15927	0.3
214.53474	0.3
219.02859	3.0
223.08069	0.7
225.03914	0.7
233.04477	1.0
241.09193	2.1
247.12924	0.7
259.07870	0.8
261.03943	4.2
261.14383	0.5
265.09253	0.5
273.03912	0.7
283.10468	0.3
285.03918	0.5
297.13098	1.4
303.05066	1.2
321.06186	0.6
327.08566	1.1
339.07755	0.8
371.50415	0.3
381.09915	0.6
393.09659	1.0
459.18332	100.0
460.18561	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.01868	5.7
55.05524	5.0
57.03423	3.7
61.02917	4.1
65.03922	3.2
66.04718	1.8
67.05501	7.7
67.85708	1.0
68.57265	1.1
68.99776	3.7
69.03422	21.9
69.07063	1.7
70.28019	2.0
70.28381	4.6
71.01365	1.6
71.04975	4.0
72.08144	1.2
73.02906	3.4
79.05489	8.7
79.21622	0.9
81.03409	25.3
81.07044	10.0
81.57769	1.0
83.04977	3.3
83.08607	2.7
85.02898	30.9
87.00815	15.3
87.96843	1.0
91.03953	1.5
91.05468	13.4
93.07033	5.3
94.04166	2.2
95.04944	11.2
95.08604	3.9
97.02879	13.6
97.06533	1.9
97.10163	1.3
98.20724	1.5
99.04440	4.9
99.08077	1.1
103.03880	1.4
103.05443	7.6
105.01850	9.2
105.03402	1.6
105.07044	6.4
106.04143	1.1
107.04938	4.8
107.08582	4.7
109.02868	13.5
109.06503	14.9
109.10143	3.5
111.04426	3.6
115.03903	2.1
115.05447	3.8
117.01852	1.5
117.03365	2.6
117.07005	3.3
119.04932	8.3
119.08553	4.4
121.06496	4.9
122.03659	1.4
123.04436	6.3
123.08046	2.7
125.05952	1.7
127.03896	13.3
128.06227	1.8
129.01854	3.5
129.06995	2.7
131.04913	14.7
131.08556	2.9
133.06476	3.2
133.10129	4.4
135.04388	1.3
135.07993	1.9
137.05962	89.7
137.09587	2.1
138.06316	1.8
139.03908	1.5
143.04881	1.5
145.04933	5.0
145.06453	6.0
145.10103	1.6
146.03595	1.6
147.04401	8.4
147.08099	1.3
148.05179	1.0
149.02353	1.4
149.05980	12.6
149.09601	1.5
149.13252	1.9
151.07516	4.8
153.05450	4.6
153.06950	1.1
155.03386	18.2
156.04015	1.1
157.06464	1.6
157.10176	1.6
159.02888	4.8
159.04390	4.1
159.08043	1.8
161.05971	8.9
161.09645	1.2
163.03900	3.0
163.07571	3.7
165.05466	1.7
165.09052	1.4
167.07094	2.3
168.04192	1.6
169.01404	1.3
169.05020	1.7
169.06438	1.8
170.05728	39.7
170.07176	2.6
171.06490	2.3
171.08025	1.9
173.06000	4.5
175.07524	2.3
175.11159	1.5
175.14919	1.5
177.05457	26.9
177.09061	2.2
179.07011	10.1
181.04913	3.4
181.06538	3.1
183.06509	100.0
184.06876	1.4
185.06129	1.6
187.07552	1.7
189.03963	1.4
189.05389	6.0
190.06091	1.5
191.03342	1.4
191.07040	10.8
193.05003	1.5
193.08650	5.0
193.12190	3.4
193.15872	4.0
196.07362	2.5
197.04266	1.1
198.06801	1.6
199.07516	2.9
201.05556	1.8
203.06996	2.0
205.04999	1.5
205.08560	1.2
206.05769	2.2
206.56462	1.1
207.06531	4.3
209.06166	1.8
209.08055	25.1
210.08749	2.1
211.09608	28.1
211.16878	3.0
213.07474	1.9
215.07018	2.8
217.08565	2.3
219.06490	3.4
219.13840	1.8
221.08102	4.2
223.09601	24.7
226.06232	1.3
227.06999	2.9
231.04877	1.9
233.08089	3.2
235.09744	5.8
237.07649	1.6
239.09036	2.0
241.08569	3.2
245.08081	3.8
249.07477	7.8
251.09280	2.3
255.06514	3.6
259.09647	2.8
263.09113	3.1
269.08093	4.9
269.60266	1.2
273.07700	1.3
273.11249	2.6
277.10696	2.9
287.09109	5.9
291.07651	1.3
291.12061	1.1
295.11832	1.8
297.16864	1.8
301.10712	12.0
313.07092	1.4
319.11758	3.8
337.12769	1.5
367.22498	2.8
385.23755	3.1
423.12836	2.4
459.27621	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.4
53.89962	1.5
55.01855	3.1
55.05502	4.0
61.02903	4.4
65.03931	3.1
67.05479	5.2
68.99776	3.8
69.03422	15.1
70.06568	3.7
71.04990	3.4
71.14371	3.3
71.14737	2.8
72.08146	25.7
73.02900	2.3
79.05489	9.4
79.45496	1.6
80.29623	1.6
81.03414	11.6
81.07029	6.3
83.04973	2.8
84.04473	1.7
85.02893	18.3
86.09696	23.7
87.00819	11.3
91.05474	9.3
92.22865	1.7
93.07032	3.7
95.04978	7.7
97.02879	10.9
99.04457	2.5
101.02364	2.0
102.16887	1.4
103.03905	1.5
103.05441	9.1
105.01836	5.6
105.07011	4.0
107.04948	9.2
108.26644	1.4
109.02885	9.0
109.06495	12.5
109.35894	1.5
111.04480	2.6
115.03897	1.8
115.05424	2.5
117.03348	5.2
119.04927	3.9
121.06480	7.0
122.03585	2.1
123.00721	1.9
123.04413	4.8
125.06028	3.0
127.03905	9.4
129.01836	2.0
131.04924	14.2
133.06445	4.5
134.03647	1.9
135.04378	4.0
136.04692	2.4
136.52106	1.5
137.05965	88.5
139.03909	1.9
141.18236	1.5
145.04950	2.7
145.06502	4.6
147.02948	2.5
147.04396	7.8
149.05959	15.9
151.03969	1.7
151.07518	2.1
153.05432	6.8
155.03368	6.8
157.06499	1.8
159.04431	3.7
161.05908	9.5
163.03865	8.5
163.07536	3.3
164.04196	5.8
165.05492	2.8
167.06999	3.1
169.04845	1.7
170.05739	20.7
172.36708	1.7
173.05997	5.1
175.07489	2.6
176.04758	1.9
177.05458	28.3
177.09044	2.5
178.05902	2.5
179.07018	7.9
181.06456	2.2
183.06505	100.0
184.06883	2.2
185.06161	1.8
189.05383	8.0
191.03452	1.8
191.07039	10.5
193.04878	1.9
193.08607	4.9
195.06522	8.7
196.06927	9.4
197.06058	1.7
201.12344	2.7
203.07021	2.1
205.68266	1.7
206.05710	2.9
207.06538	5.0
208.07315	1.6
209.06058	1.5
209.08067	28.8
209.83075	1.7
210.08832	18.7
211.09381	28.8
213.07390	1.9
213.09207	2.0
215.07193	2.1
217.08578	2.4
221.08037	3.4
223.07574	2.4
223.09631	28.2
227.07001	2.2
229.11812	5.4
231.17113	1.9
233.08122	2.6
235.09554	4.5
241.08380	2.0
245.08029	3.0
245.80223	1.7
249.07651	8.2
251.09077	3.3
255.06471	3.0
259.09564	3.8
265.10953	1.7
269.07990	5.1
277.10577	1.6
287.08990	7.7
297.07547	9.7
297.18848	5.0
301.10703	14.9
319.11829	6.0
328.18597	1.8
337.12695	2.2
341.06561	5.4
398.06973	4.0
423.12820	2.8
459.18259	2.4
459.24048	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.4
53.89962	1.5
55.01855	3.1
55.05502	4.0
61.02903	4.4
65.03931	3.1
67.05479	5.2
68.99776	3.8
69.03422	15.1
70.06568	3.7
71.04990	3.4
71.14371	3.3
71.14737	2.8
72.08146	25.7
73.02900	2.3
79.05489	9.4
79.45496	1.6
80.29623	1.6
81.03414	11.6
81.07029	6.3
83.04973	2.8
84.04473	1.7
85.02893	18.3
86.09696	23.7
87.00819	11.3
91.05474	9.3
92.22865	1.7
93.07032	3.7
95.04978	7.7
97.02879	10.9
99.04457	2.5
101.02364	2.0
102.16887	1.4
103.03905	1.5
103.05441	9.1
105.01836	5.6
105.07011	4.0
107.04948	9.2
108.26644	1.4
109.02885	9.0
109.06495	12.5
109.35894	1.5
111.04480	2.6
115.03897	1.8
115.05424	2.5
117.03348	5.2
119.04927	3.9
121.06480	7.0
122.03585	2.1
123.00721	1.9
123.04413	4.8
125.06028	3.0
127.03905	9.4
129.01836	2.0
131.04924	14.2
133.06445	4.5
134.03647	1.9
135.04378	4.0
136.04692	2.4
136.52106	1.5
137.05965	88.5
139.03909	1.9
141.18236	1.5
145.04950	2.7
145.06502	4.6
147.02948	2.5
147.04396	7.8
149.05959	15.9
151.03969	1.7
151.07518	2.1
153.05432	6.8
155.03368	6.8
157.06499	1.8
159.04431	3.7
161.05908	9.5
163.03865	8.5
163.07536	3.3
164.04196	5.8
165.05492	2.8
167.06999	3.1
169.04845	1.7
170.05739	20.7
172.36708	1.7
173.05997	5.1
175.07489	2.6
176.04758	1.9
177.05458	28.3
177.09044	2.5
178.05902	2.5
179.07018	7.9
181.06456	2.2
183.06505	100.0
184.06883	2.2
185.06161	1.8
189.05383	8.0
191.03452	1.8
191.07039	10.5
193.04878	1.9
193.08607	4.9
195.06522	8.7
196.06927	9.4
197.06058	1.7
201.12344	2.7
203.07021	2.1
205.68266	1.7
206.05710	2.9
207.06538	5.0
208.07315	1.6
209.06058	1.5
209.08067	28.8
209.83075	1.7
210.08832	18.7
211.09381	28.8
213.07390	1.9
213.09207	2.0
215.07193	2.1
217.08578	2.4
221.08037	3.4
223.07574	2.4
223.09631	28.2
227.07001	2.2
229.11812	5.4
231.17113	1.9
233.08122	2.6
235.09554	4.5
241.08380	2.0
245.08029	3.0
245.80223	1.7
249.07651	8.2
251.09077	3.3
255.06471	3.0
259.09564	3.8
265.10953	1.7
269.07990	5.1
277.10577	1.6
287.08990	7.7
297.07547	9.7
297.18848	5.0
301.10703	14.9
319.11829	6.0
328.18597	1.8
337.12695	2.2
341.06561	5.4
398.06973	4.0
423.12820	2.8
459.18259	2.4
459.24048	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.01868	5.7
55.05524	5.0
57.03423	3.7
61.02917	4.1
65.03922	3.2
66.04718	1.8
67.05501	7.7
67.85708	1.0
68.57265	1.1
68.99776	3.7
69.03422	21.9
69.07063	1.7
70.28019	2.0
70.28381	4.6
71.01365	1.6
71.04975	4.0
72.08144	1.2
73.02906	3.4
79.05489	8.7
79.21622	0.9
81.03409	25.3
81.07044	10.0
81.57769	1.0
83.04977	3.3
83.08607	2.7
85.02898	30.9
87.00815	15.3
87.96843	1.0
91.03953	1.5
91.05468	13.4
93.07033	5.3
94.04166	2.2
95.04944	11.2
95.08604	3.9
97.02879	13.6
97.06533	1.9
97.10163	1.3
98.20724	1.5
99.04440	4.9
99.08077	1.1
103.03880	1.4
103.05443	7.6
105.01850	9.2
105.03402	1.6
105.07044	6.4
106.04143	1.1
107.04938	4.8
107.08582	4.7
109.02868	13.5
109.06503	14.9
109.10143	3.5
111.04426	3.6
115.03903	2.1
115.05447	3.8
117.01852	1.5
117.03365	2.6
117.07005	3.3
119.04932	8.3
119.08553	4.4
121.06496	4.9
122.03659	1.4
123.04436	6.3
123.08046	2.7
125.05952	1.7
127.03896	13.3
128.06227	1.8
129.01854	3.5
129.06995	2.7
131.04913	14.7
131.08556	2.9
133.06476	3.2
133.10129	4.4
135.04388	1.3
135.07993	1.9
137.05962	89.7
137.09587	2.1
138.06316	1.8
139.03908	1.5
143.04881	1.5
145.04933	5.0
145.06453	6.0
145.10103	1.6
146.03595	1.6
147.04401	8.4
147.08099	1.3
148.05179	1.0
149.02353	1.4
149.05980	12.6
149.09601	1.5
149.13252	1.9
151.07516	4.8
153.05450	4.6
153.06950	1.1
155.03386	18.2
156.04015	1.1
157.06464	1.6
157.10176	1.6
159.02888	4.8
159.04390	4.1
159.08043	1.8
161.05971	8.9
161.09645	1.2
163.03900	3.0
163.07571	3.7
165.05466	1.7
165.09052	1.4
167.07094	2.3
168.04192	1.6
169.01404	1.3
169.05020	1.7
169.06438	1.8
170.05728	39.7
170.07176	2.6
171.06490	2.3
171.08025	1.9
173.06000	4.5
175.07524	2.3
175.11159	1.5
175.14919	1.5
177.05457	26.9
177.09061	2.2
179.07011	10.1
181.04913	3.4
181.06538	3.1
183.06509	100.0
184.06876	1.4
185.06129	1.6
187.07552	1.7
189.03963	1.4
189.05389	6.0
190.06091	1.5
191.03342	1.4
191.07040	10.8
193.05003	1.5
193.08650	5.0
193.12190	3.4
193.15872	4.0
196.07362	2.5
197.04266	1.1
198.06801	1.6
199.07516	2.9
201.05556	1.8
203.06996	2.0
205.04999	1.5
205.08560	1.2
206.05769	2.2
206.56462	1.1
207.06531	4.3
209.06166	1.8
209.08055	25.1
210.08749	2.1
211.09608	28.1
211.16878	3.0
213.07474	1.9
215.07018	2.8
217.08565	2.3
219.06490	3.4
219.13840	1.8
221.08102	4.2
223.09601	24.7
226.06232	1.3
227.06999	2.9
231.04877	1.9
233.08089	3.2
235.09744	5.8
237.07649	1.6
239.09036	2.0
241.08569	3.2
245.08081	3.8
249.07477	7.8
251.09280	2.3
255.06514	3.6
259.09647	2.8
263.09113	3.1
269.08093	4.9
269.60266	1.2
273.07700	1.3
273.11249	2.6
277.10696	2.9
287.09109	5.9
291.07651	1.3
291.12061	1.1
295.11832	1.8
297.16864	1.8
301.10712	12.0
313.07092	1.4
319.11758	3.8
337.12769	1.5
367.22498	2.8
385.23755	3.1
423.12836	2.4
459.27621	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3669
Annotation	Cladocalol
Peak:m/z	Relative Intensity
55.05516	11.5
57.07068	6.5
67.05492	28.1
69.07056	18.3
71.14359	12.3
79.05481	17.9
81.03409	5.3
81.07050	45.5
83.08624	9.9
89.77714	4.8
91.05470	16.5
93.07031	38.6
95.04956	9.3
95.08597	84.1
97.06525	9.5
97.10164	5.8
103.85138	5.7
105.07031	30.6
107.08581	62.5
109.10139	46.5
111.08073	7.2
117.06991	6.0
119.08595	45.4
121.10126	47.3
123.11676	11.5
131.08556	8.1
133.06541	7.5
133.10086	33.9
135.11670	23.9
137.13292	6.0
145.10086	18.4
147.11670	24.1
149.13240	26.3
155.08412	8.0
159.11748	9.2
161.13249	19.5
162.17273	6.2
163.14825	49.7
169.10291	6.6
175.14833	19.3
177.16382	33.4
179.14326	9.2
187.14809	11.6
189.16408	37.5
191.17943	28.1
201.16344	5.8
203.17917	44.1
205.19479	10.2
207.17451	9.8
217.19334	6.7
219.81689	5.6
221.18951	12.5
231.21004	9.8
393.34573	10.1
399.35602	7.3
411.36221	100.0
439.35626	23.1
457.14398	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.367
Annotation	Cladocalol
Peak:m/z	Relative Intensity
52.80291	5.1
55.05505	11.3
57.07073	8.5
67.05489	33.0
69.07051	18.7
69.95362	13.7
69.95757	13.8
76.55801	4.9
79.05478	19.0
81.07059	52.7
83.08624	8.7
91.05465	22.8
93.07014	37.7
95.08605	89.8
95.73544	4.9
97.06545	8.2
105.07013	30.1
106.19325	4.8
107.08582	62.6
109.06448	6.5
109.10149	41.7
117.07022	8.3
119.08559	48.3
121.10133	46.9
123.11718	16.7
131.08560	12.0
133.10100	34.0
135.08099	8.8
135.11656	25.6
137.09595	5.3
139.07497	4.9
143.08534	6.1
145.10100	20.8
147.11667	24.1
149.13245	21.5
157.10141	7.8
159.11678	12.7
161.13228	16.9
163.14792	42.9
171.11609	9.1
175.14838	19.3
177.16417	34.3
187.14801	17.5
189.16359	44.3
191.17857	30.7
193.83817	5.4
201.16373	14.8
203.17967	42.1
205.19537	18.6
217.19557	12.1
221.18866	11.8
229.19424	6.4
231.21162	11.1
237.02831	14.0
279.03882	11.9
287.34619	5.9
335.02905	19.2
393.34961	13.2
411.36246	100.0
411.41507	3.8
439.29550	5.6
439.35812	27.0
449.84601	5.9
455.83936	5.6
457.29907	7.2
457.36554	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01855	3.3
55.05503	2.5
57.03421	3.7
61.02901	3.5
67.05495	2.7
68.99799	2.4
69.03426	13.0
69.07061	2.2
70.06205	2.2
70.06585	33.4
71.04971	3.3
71.74129	1.9
72.08139	10.4
73.02917	5.2
79.05467	3.4
81.03404	15.7
81.07039	4.7
84.04498	5.0
84.08142	4.5
85.02900	29.3
85.06528	4.1
86.09685	12.2
87.00807	10.2
91.03957	1.6
91.05469	10.2
93.07022	6.1
95.04959	3.4
95.08582	3.3
97.02869	9.3
97.06523	3.5
99.04443	5.8
102.05534	2.3
103.05466	4.5
105.01853	4.7
105.07018	19.9
107.08598	10.2
109.02867	11.7
109.06489	7.1
109.10096	3.2
113.09637	1.4
115.03934	1.3
115.43218	1.3
116.07091	2.4
117.03372	3.5
117.07029	2.1
119.04949	2.2
119.08599	6.2
120.08115	3.5
121.06503	2.3
121.10122	4.9
123.08049	4.0
127.03907	15.3
129.01900	1.5
129.10268	2.3
131.04912	8.6
131.08545	25.9
133.10115	100.0
134.03610	1.5
134.10416	1.3
135.07990	8.2
136.07625	2.5
143.08566	3.1
144.09225	1.3
145.04953	5.3
145.10135	6.0
147.04404	6.0
147.11684	4.5
149.05951	7.7
149.09584	4.7
149.13246	3.1
151.11160	1.7
158.00775	1.6
158.10912	5.7
159.02916	5.5
163.07591	1.5
173.13248	51.1
174.13557	1.2
177.05447	37.7
178.05940	1.5
179.03360	6.0
183.11288	2.2
189.06979	1.4
191.14299	42.0
197.12891	1.7
201.12337	2.8
209.04451	1.9
209.08031	9.5
209.15295	6.9
217.56403	1.2
229.11967	2.9
229.15434	15.5
231.04872	1.5
234.98911	1.6
278.60022	1.2
302.52032	1.4
314.13348	1.2
371.16040	1.3
413.17731	3.5
437.46609	1.2
457.16397	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91376	1.0
53.03936	3.0
55.01866	2.0
55.05506	2.4
57.03427	2.1
67.05492	4.3
69.03427	5.8
69.07063	2.6
69.95309	1.1
70.06570	1.6
70.51095	1.6
70.51501	3.3
71.04985	2.1
73.02900	1.7
78.98626	1.3
79.05485	3.3
81.03399	6.1
81.07047	7.6
83.04970	1.5
85.02889	15.3
85.06535	6.3
86.09689	2.7
87.00817	4.7
91.05469	7.7
93.07011	5.5
95.04945	2.5
95.08585	4.3
97.02885	6.1
97.06525	5.1
99.04456	3.8
103.05455	3.0
105.01836	2.6
105.07019	23.1
107.08581	7.1
109.02869	5.2
109.06554	6.4
109.10162	2.5
111.08080	1.3
117.03302	1.8
117.07058	2.2
119.08562	6.8
121.10119	5.1
123.08073	3.0
127.03910	8.4
129.06990	2.6
129.25922	1.3
131.04916	2.1
131.08536	26.4
131.09450	2.1
133.10112	100.0
135.08035	4.9
140.08031	1.2
143.08542	4.2
144.09317	1.2
145.04919	3.5
145.10110	8.4
145.80661	1.2
147.11674	5.4
149.06009	2.5
149.09627	1.6
149.13225	3.1
151.11188	1.3
158.10889	7.0
159.02858	3.8
163.14850	4.5
165.12756	2.1
171.11690	1.9
173.13239	63.1
175.14821	1.4
177.05440	10.6
185.13327	1.2
191.14281	52.6
209.08017	1.9
209.15337	11.3
226.33194	1.4
231.04857	1.2
384.27899	1.3
457.16489	1.9
457.24387	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01842	2.9
55.05487	4.2
57.03419	3.3
59.01478	1.8
61.02920	3.5
67.05489	10.3
69.03416	10.6
69.07042	6.1
70.69753	7.5
71.04970	6.3
73.02909	3.7
79.05466	12.7
80.75548	2.0
81.03398	11.7
81.07036	10.2
85.02885	21.2
85.06523	4.1
87.00798	10.4
91.05461	12.7
93.07040	11.4
95.04955	8.5
95.08572	10.3
97.02853	9.4
97.06499	7.5
98.20718	2.3
99.04462	3.5
105.01850	6.9
105.06995	14.5
107.08574	15.3
109.02882	11.0
109.06497	93.1
109.10130	25.0
117.06982	3.5
119.08548	8.0
121.06481	2.7
121.10115	8.0
123.08056	14.1
127.03905	18.0
129.06940	3.8
131.08537	24.5
133.06410	2.4
133.10106	78.3
135.08023	43.3
135.11655	3.1
139.35638	2.2
145.04944	5.3
145.10088	7.5
147.07951	2.3
147.11690	9.5
149.09570	6.6
149.13261	3.9
153.09094	5.3
157.10120	2.5
158.10854	5.1
159.02853	4.5
165.09129	5.7
173.13220	41.1
175.11148	25.5
176.11516	28.7
185.13213	3.0
189.12688	5.0
191.14285	100.0
194.12543	3.0
203.14162	1.9
209.15356	33.6
221.66554	2.1
231.04982	3.7
234.98923	3.2
363.50104	2.5
442.17746	19.2
457.25613	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56559	1.1
53.03939	10.7
55.01862	9.2
55.05489	3.4
57.03430	8.6
61.02916	7.5
63.73603	1.1
64.77417	1.1
67.05495	2.9
68.99786	3.0
69.03423	46.7
69.06802	0.9
69.07066	11.2
71.01333	1.6
71.04987	6.5
71.94286	1.3
73.02907	9.5
79.05477	5.5
81.03410	52.4
81.07034	6.2
83.01304	1.4
83.04982	1.9
83.08606	2.8
85.02899	76.3
87.00824	31.7
87.04474	1.7
91.03941	2.9
91.05476	6.1
93.07030	4.6
95.04960	9.6
95.08595	5.1
97.02884	23.7
97.06499	5.2
97.10147	1.4
99.04438	17.6
103.03906	2.3
103.05462	1.7
105.01208	1.9
105.01862	23.0
105.07011	4.3
107.04906	1.7
107.08588	7.8
109.02867	52.0
109.06487	8.2
109.10119	2.6
111.78979	1.0
115.03916	1.8
115.05404	1.0
117.01843	5.5
117.06939	1.2
119.08570	4.3
121.06489	6.4
121.10129	3.6
122.07263	5.5
123.08057	23.8
127.03902	80.7
129.01819	4.2
131.04890	2.2
131.08542	4.7
133.10106	6.8
135.08044	46.2
135.11650	3.7
143.08548	1.2
145.04951	36.8
145.10136	2.8
147.02858	6.3
147.11629	4.5
148.08789	1.4
149.06000	2.1
149.09608	3.1
149.13271	1.4
159.02881	33.6
163.14825	1.4
165.09097	1.3
165.12740	20.7
173.13275	3.4
175.14844	3.2
176.11977	3.6
177.03952	2.7
177.05479	8.8
177.12704	1.9
189.03964	1.8
191.14287	100.0
192.14687	1.4
193.15820	7.9
207.13785	9.1
209.08067	2.1
209.15344	16.2
213.03938	4.8
213.12810	1.3
231.04973	22.7
231.07323	1.3
249.05983	1.4
249.14787	1.1
273.14856	1.8
342.03107	1.2
377.15829	2.7
395.17065	3.2
404.55722	1.4
413.18057	4.8
457.20630	34.8
457.26352	1.4
458.20764	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01865	3.8
57.03426	3.7
61.02899	2.7
67.05495	6.1
69.03407	9.3
69.07038	2.3
70.88330	4.5
71.04961	6.8
73.02884	2.8
79.05470	6.6
81.03391	7.2
81.07037	4.5
85.02883	18.8
85.06503	5.0
86.09664	6.2
87.00815	7.1
89.37699	2.1
90.85175	2.3
91.05452	9.4
93.07027	6.3
93.71369	2.3
95.04958	7.9
95.08582	7.0
97.02844	9.6
97.06516	4.1
99.04425	3.0
99.75239	2.3
100.27332	2.1
101.48587	2.3
105.01854	8.1
105.06997	9.2
107.08582	13.0
109.02856	5.2
109.06503	100.0
109.10139	18.7
111.08070	4.9
116.94746	2.5
119.08526	4.5
121.10104	9.7
123.08038	11.2
127.03896	14.1
131.08540	8.7
133.10106	16.4
135.08026	43.9
136.22926	2.2
143.08466	2.7
145.10068	3.7
147.11731	3.6
149.09552	3.1
149.13184	4.0
150.10254	2.3
151.11160	6.0
153.09109	3.8
159.02940	2.9
169.06267	2.3
173.13260	19.7
191.14279	74.9
209.15355	43.2
277.13864	3.2
457.14584	4.5
457.20398	4.6
459.75583	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01858	6.2
55.05494	1.6
56.65037	1.6
57.03422	4.1
59.95302	1.4
61.02905	2.9
67.05506	7.3
69.03427	13.5
69.07047	2.5
71.04983	5.9
71.55133	2.4
73.02904	3.9
79.05478	7.2
81.03408	15.4
81.07049	9.0
83.04976	2.3
83.08610	2.0
85.02895	27.0
85.06548	3.2
87.00826	12.9
91.05446	9.3
93.07024	7.8
95.04945	8.0
95.08604	9.3
97.02893	9.2
97.06511	4.1
99.04427	5.6
101.02374	1.5
105.01855	8.7
105.07017	18.0
107.08590	14.5
109.02846	13.9
109.06506	91.4
109.10143	20.8
111.08070	3.4
117.07002	3.5
118.60564	1.6
119.08585	4.6
121.06494	3.0
121.10140	7.2
123.08050	13.6
123.11725	1.8
124.12916	1.3
127.03897	18.7
129.06993	1.8
131.08530	21.8
133.10115	67.3
134.10368	1.9
135.08032	42.4
136.08281	1.6
137.03513	1.4
143.08546	4.5
145.04955	8.4
145.10124	6.5
147.11661	4.4
147.18320	1.3
149.09604	5.0
149.13263	4.5
153.09099	5.6
158.10880	3.7
159.02887	6.7
159.11612	1.7
161.09558	1.4
163.14807	1.6
165.12735	2.5
167.18102	1.8
173.13248	40.4
175.11177	6.4
176.11514	7.1
191.14285	100.0
192.14725	2.6
209.15347	37.3
231.05055	3.3
277.98337	1.3
365.61584	1.6
421.23767	2.2
442.17883	5.8
457.20761	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1115
Annotation	Riboflavin monophosphate
Peak:m/z	Relative Intensity
53.03941	4.7
55.01859	1.5
57.03432	8.0
57.76385	0.5
59.04993	3.7
59.48171	0.6
61.02923	0.6
66.23746	0.6
69.03423	16.6
70.06576	2.2
71.04985	9.6
71.47636	0.9
71.47968	0.7
72.08149	0.7
73.02908	5.2
75.04457	0.6
75.63442	0.5
78.62308	0.5
80.05043	0.5
81.03410	25.1
84.08121	1.2
85.02864	0.6
86.09693	1.6
87.04441	1.7
91.05481	0.9
98.98456	18.1
99.04448	12.9
117.05481	10.7
118.06478	0.7
127.03944	0.6
140.99463	1.2
145.07574	3.5
146.08342	0.5
147.09122	3.0
157.06337	0.9
157.07565	1.8
159.09171	5.2
170.07169	2.7
171.09143	1.6
172.08684	30.4
173.07083	5.5
173.09116	0.7
173.10687	1.0
174.10229	1.0
175.08594	3.4
183.09198	0.6
184.08626	2.7
185.10782	1.4
186.10229	2.1
190.09718	1.5
191.08110	1.2
197.10803	1.4
198.06573	7.3
198.10249	2.6
199.08470	0.6
199.12325	1.5
200.08128	3.5
209.04468	0.7
209.10800	1.0
210.10173	2.6
213.08905	0.6
214.09712	4.9
215.03125	0.6
216.07655	21.5
217.07948	0.8
218.09224	2.7
219.07655	3.4
224.11775	2.4
226.09729	1.9
228.11385	0.9
229.08415	3.0
236.11792	1.2
238.58122	0.7
243.08752	55.4
244.07143	2.4
244.09172	1.7
252.11316	1.6
254.12848	1.7
257.10303	1.0
269.10629	0.8
270.12323	0.8
272.10403	0.7
272.13910	0.7
285.09784	2.2
288.13486	0.6
297.09790	2.4
298.11722	1.0
307.08240	0.7
316.12830	1.8
323.11316	3.0
334.09534	1.9
334.13757	1.2
341.12424	11.4
342.12897	0.7
344.85925	0.6
359.13446	46.6
360.13580	2.3
377.14468	6.2
396.09555	10.8
397.08084	2.3
403.07727	0.7
414.10541	11.2
415.09134	1.1
421.08997	6.9
439.10104	100.0
440.10245	4.6
457.11105	32.9
457.15686	1.4
458.11469	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01874	2.3
55.05511	1.1
56.96581	0.5
57.03432	2.7
57.06792	0.8
57.07069	13.2
59.04996	100.0
60.05333	0.9
61.02922	1.7
67.05508	1.3
67.57800	0.5
68.99791	0.8
69.03423	8.6
69.07061	1.1
71.04993	1.3
71.74694	0.6
73.02913	1.7
77.06026	0.7
79.05463	1.3
79.93629	0.5
81.03413	7.4
81.07043	1.3
85.02896	20.7
87.00823	8.4
91.03969	0.7
91.05466	1.0
93.07038	1.0
95.04970	0.7
95.08627	1.2
97.02872	6.3
97.06532	1.6
97.10172	1.0
99.04477	3.0
101.09679	1.1
105.01853	7.6
105.07040	0.6
107.04950	0.6
107.08613	0.7
109.02876	5.8
109.06480	2.5
109.10156	1.4
115.11201	29.6
117.09109	3.3
119.08655	0.8
121.10174	0.6
123.08081	0.6
127.03900	9.8
129.01863	0.9
133.10181	1.4
135.08061	1.7
145.04958	3.4
147.08080	0.7
147.11734	0.5
159.02927	3.4
173.02405	1.1
173.13274	1.4
173.15379	6.8
175.11275	2.1
179.06941	0.6
179.24156	0.5
181.04916	0.9
191.14526	3.2
191.16400	55.1
192.16710	1.1
193.12355	0.7
205.04918	0.5
209.15399	1.0
210.28807	0.6
215.07123	0.9
230.29155	0.6
231.05116	1.7
259.09702	1.1
314.48938	0.6
325.09952	0.5
404.51797	0.6
441.17526	0.7
457.20819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
54.37329	0.6
55.01875	1.7
55.05491	0.7
56.96556	0.7
57.03180	0.5
57.03431	2.5
57.07070	14.4
59.04995	100.0
61.02925	1.5
67.05508	1.2
68.99775	1.0
69.03423	9.1
69.07056	1.0
70.45004	1.4
71.04984	1.5
73.02911	1.5
79.05501	0.8
81.03409	7.9
81.07054	1.4
85.02901	20.9
87.00819	9.1
91.05490	1.7
93.07053	1.0
95.04974	1.0
95.08624	0.9
97.02892	7.4
97.06541	1.7
97.10207	0.8
98.20778	0.6
99.04433	3.4
100.07578	0.6
101.09659	0.7
103.05447	0.7
105.01856	7.8
105.07088	0.8
107.08587	0.7
109.02876	6.0
109.06481	2.8
109.10188	1.5
115.03985	0.7
115.11201	32.7
116.98604	0.8
117.01888	0.7
117.09158	1.1
119.08617	0.6
121.10201	0.7
127.03912	12.0
129.01898	0.6
133.10191	0.8
135.08098	1.1
145.04932	4.5
156.13885	0.9
159.02859	3.1
163.03963	1.0
173.09480	0.6
173.13223	0.9
173.15369	6.2
175.11246	1.2
176.07893	0.7
177.05527	1.7
191.06981	0.5
191.14560	2.2
191.16409	56.3
192.16852	0.8
197.08159	1.6
198.08499	1.2
209.15396	1.1
215.06937	0.8
215.39453	0.6
218.71658	0.5
231.05058	1.5
240.46837	0.6
256.10300	0.6
259.09769	0.8
263.19330	0.5
308.22485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3514
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
55.05501	23.0
55.96520	4.6
67.05498	35.8
69.07059	30.8
69.72880	24.0
69.73283	11.4
71.04967	6.9
79.05476	26.5
81.07043	80.1
83.08613	13.2
91.05455	33.6
91.37124	4.3
93.07036	60.0
95.04977	8.0
95.08598	96.5
97.06526	6.5
97.10135	7.6
98.21361	7.0
105.07023	77.2
107.08582	74.3
109.06516	9.0
109.10150	56.7
111.08072	57.6
117.07030	8.2
118.14706	4.7
119.08572	82.2
121.06448	5.4
121.10130	51.0
123.11697	19.4
125.09599	9.0
131.08551	20.6
133.10112	55.0
135.11673	37.2
142.81610	4.2
143.08531	5.1
145.10095	35.2
147.11664	100.0
149.13225	55.7
153.09059	7.6
157.10118	9.8
159.11691	31.7
161.09656	7.0
161.13243	52.4
162.10156	5.7
163.11214	9.1
163.14784	33.0
167.62505	4.7
171.11687	7.6
173.13205	25.7
175.11151	4.3
175.14830	30.6
175.16144	4.7
177.16364	48.1
183.36856	4.6
185.13203	4.8
187.14807	20.1
189.16353	87.7
191.17967	18.8
199.14856	8.7
201.16356	37.5
203.14247	6.8
203.17938	84.9
205.15858	19.9
205.19511	16.8
207.17444	18.0
213.16356	8.5
215.17963	14.4
217.15892	12.3
217.19398	5.4
219.17374	13.0
221.18976	6.6
227.17952	6.5
231.17413	8.1
235.16875	5.9
243.21019	7.6
249.18518	18.0
313.52130	4.6
361.32727	5.2
372.62234	5.2
391.33261	11.6
394.60587	5.6
397.31070	17.1
409.34558	97.5
425.33893	5.9
437.34198	16.4
455.35217	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04943	0.9
55.05488	1.2
56.96529	1.4
57.03424	1.0
66.63025	1.1
67.05473	2.3
69.03390	1.1
70.06574	4.4
72.08128	1.2
73.02924	1.1
78.35033	0.9
79.05482	2.0
81.03390	1.2
84.04488	1.2
84.08125	2.5
85.02895	2.7
86.09705	2.3
91.05455	1.4
93.07014	1.6
95.05015	1.1
95.08585	1.3
96.38267	1.1
96.44710	1.0
101.07145	1.2
107.08577	1.2
109.10211	1.2
111.04401	2.4
119.04909	3.5
121.91682	1.1
127.03780	1.0
129.10182	1.2
147.04396	10.1
164.05766	1.0
207.09850	7.7
209.11765	1.7
216.41862	1.3
220.15585	1.0
232.69533	1.0
235.09404	15.1
245.06503	1.4
283.15390	1.3
351.13998	4.4
369.15155	25.6
411.16193	64.3
412.16708	1.7
455.15118	100.0
456.15384	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73717	0.9
58.24804	1.0
61.71852	1.0
70.39063	4.6
82.38617	1.2
91.19919	1.2
96.05180	1.2
111.49583	1.2
112.89597	12.7
169.69339	1.3
233.85437	1.1
246.60539	1.1
320.48370	1.2
455.11572	100.0
456.11765	3.9
457.56989	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.3
57.07068	36.8
67.05497	1.6
69.07057	2.7
70.30491	2.8
71.08620	27.9
73.06544	5.1
76.31434	0.9
81.07052	0.9
83.08607	2.8
85.10172	20.8
87.04465	3.0
89.06018	100.0
91.05466	1.1
95.08599	1.4
97.10139	3.8
99.11699	3.9
107.07067	4.7
113.13287	1.7
117.09122	3.7
121.10107	0.9
128.23723	0.8
128.52844	0.8
130.08640	3.1
133.08588	45.3
135.10150	1.2
151.09604	1.6
155.17935	3.6
161.11772	1.0
177.11206	15.7
187.41238	0.9
195.12245	1.8
199.20560	2.9
221.13782	1.4
239.14911	2.3
243.23161	7.5
267.00186	0.8
283.17490	11.2
287.25793	3.2
393.32016	1.4
437.34763	14.2
438.35010	1.0
454.21378	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2922
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
55.05506	2.2
57.03204	0.4
57.03434	3.8
57.07069	20.3
62.06082	24.2
66.47899	0.3
67.05501	4.6
67.50487	0.3
69.07063	3.8
71.08623	13.8
71.67094	0.3
71.75227	0.5
75.04449	0.3
79.05464	0.7
81.07047	5.5
83.08611	4.0
85.06498	0.4
85.10173	8.8
89.05999	0.7
93.07020	0.4
95.08595	7.4
97.10161	2.0
98.98462	5.2
99.11715	0.3
103.07565	0.4
107.08546	0.3
109.10147	3.4
111.11697	0.5
113.13303	0.3
121.10127	0.3
123.11679	1.8
124.01583	1.8
137.13286	0.7
142.02676	1.3
155.01019	6.3
173.02020	0.5
174.30331	0.2
181.06517	0.3
181.89029	0.3
198.05269	1.6
216.06317	2.5
239.23674	2.0
257.24808	0.5
282.27875	11.1
283.28140	0.5
313.27322	100.0
314.27713	3.8
393.23941	5.8
436.28290	1.6
454.28937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04184	1.1
53.03936	2.2
55.01863	3.7
55.05507	3.3
56.96557	3.5
57.03431	34.2
57.07062	2.3
59.05005	2.2
61.02920	17.0
61.34265	1.1
67.05494	4.1
69.03423	39.2
69.07060	16.9
69.95033	2.4
69.95444	3.7
71.01344	5.2
71.04981	10.7
71.08575	1.1
73.02908	77.5
79.05479	4.9
80.05812	1.5
81.03411	12.1
81.07054	5.0
83.04954	2.4
83.08617	7.8
85.02895	100.0
87.04456	4.9
91.03938	5.4
91.05459	2.7
93.07041	3.5
94.58956	1.3
95.04978	2.1
95.08586	3.8
97.02881	61.5
97.06530	5.4
97.10224	1.3
98.06844	2.0
98.21418	1.9
99.04446	3.9
103.03932	1.4
105.07012	1.6
107.04970	1.6
107.08578	1.7
109.02849	8.4
109.10116	1.8
115.03098	2.1
115.03918	41.5
119.08598	2.4
121.10147	1.6
123.04442	1.2
125.13285	2.8
127.03899	29.1
132.06520	1.7
133.04968	11.9
133.10136	1.1
135.08044	1.2
139.07506	3.4
143.14316	2.3
144.06580	2.1
145.04942	43.3
145.14555	1.1
149.02336	2.1
150.07600	4.2
153.12759	3.0
155.14243	1.3
161.13144	1.2
163.03911	1.5
163.06003	14.5
165.04384	1.5
167.14404	1.5
169.08563	1.3
171.13824	2.2
183.13747	2.3
193.04980	2.2
193.12209	1.8
203.05940	1.2
209.15302	2.6
211.13333	1.8
221.15312	1.5
223.05959	3.6
239.16400	2.3
241.07123	4.6
243.08937	2.7
251.16507	2.7
257.17581	1.7
259.08188	3.5
260.10080	2.2
262.10391	2.0
267.09097	8.0
269.17444	4.2
285.10071	16.5
286.10278	1.8
287.18594	3.8
295.10333	1.8
305.19412	3.0
315.10977	1.7
317.12769	1.8
324.11514	3.4
324.61664	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06141	0.8
53.03931	1.1
55.01866	9.7
55.05494	3.2
56.92647	1.0
57.03432	18.5
57.07080	1.8
59.04993	1.8
61.02924	15.6
67.05494	3.6
69.03424	40.6
69.07065	10.6
71.01343	5.1
71.03672	1.9
71.04986	6.9
72.04459	1.0
73.02908	77.6
75.04480	0.8
75.61723	1.1
79.05485	2.0
81.03415	8.3
81.07044	3.2
83.04950	2.0
83.08594	5.3
85.02896	100.0
86.03271	1.0
87.04467	5.2
88.92355	0.9
91.03943	5.4
91.05468	1.7
93.07027	2.5
95.04921	1.8
95.08586	3.2
97.02880	58.1
97.06510	2.5
98.06886	1.1
99.04450	5.2
100.11253	2.0
101.02379	1.1
103.03913	3.7
107.08574	1.2
109.02859	7.3
111.04469	1.4
113.53876	0.9
115.03918	27.8
119.08592	1.2
127.03903	29.6
127.04846	1.4
132.06613	1.0
132.98055	1.0
133.04951	30.0
139.07533	2.9
140.80128	0.9
143.14346	2.1
145.04941	40.4
150.07573	2.4
153.12718	2.2
163.03886	1.3
163.05981	12.6
173.02295	0.9
182.15404	4.0
183.13763	1.4
193.04958	2.5
205.04861	1.1
210.14906	3.5
211.06004	1.3
217.07111	1.8
223.05977	4.8
227.16476	0.9
239.16316	1.5
241.07063	7.7
251.16429	1.3
257.17499	1.7
259.08029	6.4
277.09167	1.6
287.18567	2.8
305.19531	2.1
374.20428	0.9
440.96060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68409	1.9
53.03946	2.5
55.01880	2.9
57.03426	7.6
61.02914	7.1
67.05505	20.1
69.03400	4.9
69.61710	5.7
69.62125	12.1
70.06581	8.6
71.04976	2.9
72.08145	5.5
73.02888	4.0
79.05484	6.2
81.03410	70.8
81.07039	6.5
83.04987	5.3
84.08115	6.6
85.02889	19.6
86.09678	4.9
91.05472	47.2
93.07027	21.7
95.04960	4.8
95.08587	14.9
97.02869	8.5
97.06536	2.6
103.03884	2.7
103.05421	2.2
105.07027	4.5
107.04878	2.8
107.08597	6.7
109.10168	12.3
119.08562	56.5
120.08088	2.7
121.06515	9.3
121.10110	2.8
123.08032	6.0
125.09613	19.4
127.03880	3.3
129.10231	3.7
137.09607	40.8
143.10608	2.6
147.08025	10.3
151.90834	2.4
153.12715	2.8
165.09105	80.3
166.09543	2.5
183.10144	22.2
201.11191	5.5
239.12755	33.1
257.13821	100.0
422.14252	2.9
472.52740	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.9
57.03429	6.5
61.02910	3.1
64.86983	1.6
67.05492	15.8
69.07043	2.6
70.06583	4.2
71.04977	2.8
71.18792	2.5
71.19124	4.0
71.71725	1.6
73.02917	2.8
76.17309	1.8
79.05471	5.0
81.03403	56.4
83.04978	3.4
84.08141	3.1
85.02895	11.8
86.09737	4.0
91.05466	43.1
93.07029	14.3
95.08595	16.3
97.02869	5.7
97.03474	2.0
99.55061	2.0
104.28423	1.7
105.07008	3.1
109.10133	12.7
119.08561	69.0
121.06512	5.5
121.10151	4.0
129.06956	2.4
129.10187	1.9
137.09596	41.0
147.08035	8.9
165.09094	71.5
183.10158	19.3
201.11185	4.8
206.30540	2.2
238.07819	7.9
239.12770	17.6
257.13803	100.0
379.77219	2.0
388.25571	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01860	4.7
56.80623	1.9
56.96561	2.3
57.03422	4.5
66.84068	1.9
67.05502	5.8
69.03407	4.2
70.06582	3.6
70.25242	1.9
71.74521	2.7
72.08138	5.9
79.05492	12.1
81.03407	8.5
83.04971	2.1
84.04508	2.4
84.08122	4.6
85.02893	6.7
86.09695	4.9
91.03946	2.2
91.05479	11.8
93.07019	7.3
95.08566	3.0
97.02892	2.8
97.06527	2.9
99.04392	3.4
106.46721	2.2
107.04916	4.4
107.08604	15.6
110.07272	1.9
116.98559	2.0
117.06998	15.5
120.08074	4.5
121.06461	4.3
122.05935	2.0
127.03911	2.9
135.08034	28.8
137.09631	2.1
145.06364	3.0
157.40976	2.4
163.07550	19.4
177.05548	2.2
181.08585	8.0
199.09608	28.8
215.06990	2.4
255.12250	100.0
256.12595	3.4
268.94559	2.0
443.88016	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.0
53.08921	1.0
53.63833	0.9
55.01849	3.4
55.05501	1.0
57.03422	1.6
67.05482	2.9
69.03411	1.8
69.07066	8.7
70.92341	2.3
74.03972	0.8
79.05479	8.2
83.04961	1.1
89.03883	1.9
91.05439	1.0
95.04962	1.1
95.08605	1.2
97.06520	79.9
104.73983	0.9
105.07036	1.2
107.08554	1.2
114.31894	0.9
117.03376	3.1
119.08541	1.2
127.03924	0.9
130.07962	1.1
133.02831	2.2
135.04416	4.9
145.02786	4.6
147.04405	1.2
159.04350	4.5
159.11717	1.6
161.02325	16.1
163.03889	32.8
173.02325	28.4
185.05966	2.0
191.03369	1.5
215.07022	37.4
233.08083	1.1
247.82295	1.0
259.09641	100.0
260.09915	2.3
338.30643	0.9
451.23181	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39608	0.9
53.70282	0.8
55.01872	2.6
55.05507	1.9
57.03426	2.1
65.03950	0.8
67.05487	2.9
69.03422	1.0
69.07069	8.1
70.87436	2.6
70.87798	1.3
79.05492	8.6
89.03912	1.2
95.04970	1.1
97.06523	75.2
107.55550	0.9
117.03369	2.4
131.08621	0.9
133.02838	1.5
135.04402	4.7
145.02835	5.4
147.04417	1.2
159.04422	3.6
161.02342	11.9
163.03897	35.2
173.02332	28.2
185.03075	1.0
185.66275	0.9
186.03093	1.1
197.05916	1.4
215.04935	1.6
215.07013	36.0
259.09641	100.0
260.10074	2.8
265.57120	1.0
361.70602	1.0
452.12909	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
53.94738	0.7
55.01853	3.2
55.05502	0.9
57.03416	0.8
58.70264	0.8
66.12685	0.7
67.05490	2.9
69.03413	1.7
69.07053	9.1
79.05489	7.3
79.27325	0.7
80.05782	0.7
83.04955	0.8
89.03903	2.6
95.00848	0.7
97.06516	71.0
98.06797	1.0
98.21446	1.8
104.78188	0.7
107.04911	0.9
111.04400	0.9
117.03371	3.0
121.77891	0.8
133.02841	0.8
135.03488	0.8
135.04376	5.5
145.02831	4.5
147.04404	1.0
159.04398	2.0
161.02330	6.8
163.03882	37.1
173.00841	1.3
173.02322	21.8
173.22046	0.8
175.03815	0.9
185.06012	1.0
191.03346	1.5
215.06995	29.1
229.40259	1.2
230.95802	0.7
241.08574	0.8
259.09622	100.0
260.09946	3.2
388.75403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	6.2
70.08690	5.0
70.09081	7.2
77.44095	2.7
84.04493	3.4
98.20712	2.6
98.97562	6.7
116.98577	3.0
119.01921	3.8
119.97905	2.5
189.02434	3.8
263.00748	4.4
305.10709	4.5
310.03885	3.3
424.95990	2.6
451.04727	100.0
452.05420	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45663	0.7
71.24902	2.0
81.33596	0.7
82.29076	0.8
95.53625	0.7
100.46488	0.7
108.45461	0.7
186.74431	0.7
220.35469	0.7
223.03113	0.7
352.14020	0.8
376.16284	0.7
391.02939	0.9
433.03906	0.8
439.40628	0.7
451.04822	100.0
452.05319	2.7
467.73859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84567	4.7
55.05507	27.2
55.28216	4.4
57.03432	56.6
57.07066	40.3
57.26703	4.6
67.05495	62.6
69.07068	32.7
70.46971	19.3
71.08617	25.5
79.05472	22.0
81.07053	54.9
83.08621	19.6
85.10183	13.0
86.21302	4.6
90.56631	5.2
91.05482	20.2
93.07056	22.8
95.04945	11.1
95.08605	56.0
97.10152	9.5
98.98458	58.9
105.07033	8.0
107.08590	10.2
109.10127	19.2
113.00008	100.0
118.08281	4.6
119.08582	10.0
121.10134	7.4
122.60001	4.3
123.11749	7.8
133.10120	11.5
135.01938	5.1
135.11639	10.9
136.99976	52.1
145.10002	5.9
155.01025	68.0
169.02580	27.9
174.01071	5.3
187.03580	9.3
193.02649	10.7
211.03645	17.9
263.23682	5.8
287.05307	7.6
292.30045	5.4
313.27383	55.7
337.27322	94.1
357.24170	7.6
449.26553	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.4
55.01864	12.3
55.05510	9.3
57.03451	8.4
59.04978	2.9
61.02918	7.6
67.05496	2.9
68.99773	5.5
69.03423	46.0
69.07060	7.5
69.32542	1.3
70.06575	5.0
70.98573	1.3
71.04974	10.2
71.25797	3.3
72.08144	73.4
73.02911	9.7
79.05488	8.3
81.03410	44.7
81.07044	9.9
83.04974	11.6
84.04458	1.6
84.08104	3.2
85.02893	100.0
85.06526	2.6
86.09698	9.0
87.00819	32.2
91.03960	3.2
91.05458	7.2
93.07027	9.7
95.04936	5.2
95.08580	5.3
97.02312	2.6
97.02884	32.5
97.06515	7.2
99.04441	21.8
101.07118	1.5
103.03938	1.8
103.07897	1.3
105.01853	31.5
105.07029	7.3
107.04903	3.1
107.08566	13.9
109.02871	47.1
109.06505	16.8
111.04405	4.8
115.03909	2.7
115.05546	1.7
117.01824	4.9
119.04936	2.0
119.08527	2.9
120.08088	25.0
121.06486	3.8
121.10133	22.5
122.51440	1.5
123.08042	6.8
123.11641	1.5
125.05968	9.3
125.09610	5.4
127.03902	84.7
129.01825	5.4
129.06596	4.6
129.10231	6.2
131.08554	3.0
135.04395	2.3
137.02286	2.9
137.05956	2.9
139.11166	14.9
141.01840	2.4
141.06975	3.1
145.04936	24.6
147.02858	4.3
147.04395	7.2
148.11995	1.7
149.09605	9.8
157.09810	1.7
159.02885	26.2
163.03859	2.1
163.74942	1.6
165.01820	6.7
166.02138	4.7
166.08670	7.1
167.03455	2.8
167.07019	5.1
167.10658	25.9
168.03770	2.0
169.06435	4.0
173.05847	1.7
175.03886	2.2
177.03960	2.1
177.10225	5.0
183.02878	4.6
183.11357	2.3
184.03252	3.1
185.11699	6.4
186.08827	2.3
187.07545	4.6
189.03928	4.2
197.06010	3.8
200.04681	7.3
202.14479	2.3
202.71759	1.6
205.09720	1.6
213.03891	2.8
215.06979	11.5
223.10724	8.2
228.13312	5.0
231.04990	18.0
232.07236	2.1
257.16110	2.7
259.09619	13.8
284.06317	5.0
285.15533	3.7
287.05377	3.3
288.05875	5.2
288.80408	1.7
298.07935	3.5
299.05466	23.3
300.05798	59.1
301.06491	6.5
312.05695	7.9
312.09009	1.7
324.05704	2.0
325.06879	3.7
326.07339	13.6
329.06552	10.4
330.06854	40.2
331.07144	2.8
331.49368	1.6
332.23788	1.7
339.08740	3.0
340.08740	7.2
350.07428	2.0
353.06604	2.6
354.06924	24.5
366.06955	8.7
378.06726	6.9
384.08060	14.1
396.07983	14.1
414.08878	13.7
432.10068	8.4
450.11331	2.2
450.23981	2.3
451.15714	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2528
Annotation	Leucosesterterpenone
Peak:m/z	Relative Intensity
53.03925	14.3
53.07328	3.1
55.01862	22.8
55.05499	54.6
55.62027	3.7
57.03428	19.0
67.05498	65.0
69.03413	17.0
69.07059	62.0
69.70521	23.4
69.70940	8.2
71.04979	7.8
73.06557	4.6
79.05482	97.4
79.21222	4.2
81.03408	96.7
81.07047	58.4
83.04951	19.7
83.08609	26.7
84.31366	4.3
85.02879	7.8
91.05462	84.3
93.07035	52.5
95.04951	36.9
95.08617	24.3
97.06514	32.5
97.10165	34.2
103.03888	4.7
103.05440	7.2
103.85309	4.2
105.03376	4.8
105.07020	37.5
107.04935	46.0
107.08584	39.1
109.06474	13.7
109.10136	15.4
111.08075	5.4
115.05423	4.5
117.06991	32.2
119.08566	51.8
121.02863	5.8
121.05690	7.0
121.06493	76.3
121.10110	14.2
123.04451	9.4
123.08053	10.6
125.05990	15.9
125.09598	27.0
128.06189	6.7
129.06981	23.2
131.04901	6.8
131.08549	27.2
132.55870	4.2
133.06465	17.9
133.10098	10.2
135.04417	4.4
135.08034	17.9
135.11668	7.1
137.05920	4.0
137.09572	25.7
141.06921	10.0
143.07022	33.1
143.08562	17.7
145.06451	19.0
145.10104	14.0
147.04443	8.7
147.08046	20.3
147.11661	10.6
149.09601	14.8
153.09064	7.3
155.08479	7.7
157.06435	7.8
157.10059	19.6
159.08063	10.5
159.11633	10.2
161.08168	3.6
161.09578	11.4
163.07585	6.5
163.11150	10.2
165.09082	27.2
165.47087	4.1
167.08452	7.0
169.10124	9.4
171.08054	6.0
171.11674	10.1
175.11174	11.0
177.09047	8.8
181.08516	6.4
183.11671	8.1
185.09557	12.2
185.13226	5.2
187.07478	4.4
187.11136	16.1
189.09145	8.9
189.11232	16.8
193.12181	26.4
195.11722	8.0
197.09541	6.1
199.09630	23.4
199.11212	9.7
203.10699	6.0
205.12256	21.4
211.13211	10.2
213.12773	5.5
215.10631	6.3
217.12184	6.9
223.11154	5.8
227.10648	9.9
227.12776	15.3
231.13791	9.3
233.15329	14.7
239.12668	6.9
259.13248	8.8
267.15948	8.5
273.14828	12.2
293.19128	7.0
303.17368	5.0
311.20020	19.2
313.17957	16.2
321.18436	16.8
329.20956	39.2
339.19479	71.8
347.22424	5.1
357.16272	7.4
357.20538	95.4
358.20874	5.5
361.24164	3.5
375.21661	24.7
385.23889	5.1
387.21469	5.4
405.22571	12.9
413.23199	9.1
431.24228	100.0
432.24420	6.4
449.19528	6.7
449.25281	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26328	2.5
53.03933	15.1
55.01870	18.7
55.05500	45.3
56.45017	2.4
57.03431	17.1
58.61513	2.7
65.03910	5.3
67.05494	63.6
69.03413	10.7
69.07056	45.3
70.61746	11.3
71.03466	2.7
71.04990	6.2
73.06534	4.2
75.39500	2.4
79.05478	74.7
81.03403	100.0
81.07042	50.8
83.04965	11.1
83.08607	29.3
85.02897	15.9
85.06506	3.0
91.05465	89.1
93.06487	4.7
93.07024	43.9
95.04946	38.6
95.08595	29.9
97.06511	21.7
97.10153	30.8
98.34119	2.4
103.03974	2.7
105.07015	39.2
107.04943	39.6
107.08591	24.8
109.06493	9.4
109.10135	11.7
111.04434	3.9
111.08044	10.0
113.06013	3.6
115.05424	4.6
117.07000	27.5
119.04937	9.0
119.08559	74.8
121.06496	45.5
121.10111	15.5
123.04417	7.7
123.08022	11.2
125.05981	13.0
125.09617	28.9
128.06206	6.4
129.06972	22.2
131.04907	7.8
131.08575	16.6
133.06462	12.1
133.10115	12.8
135.04370	3.0
135.08040	15.2
135.11664	3.4
137.09572	32.5
141.06937	7.2
142.07794	2.8
142.35265	2.6
143.07024	23.9
143.08495	12.6
145.06519	15.3
145.10085	9.5
147.04410	9.2
147.08034	19.1
147.11664	16.5
149.09602	5.9
153.09096	7.0
154.07704	3.3
155.08540	6.4
157.06467	6.6
157.10107	17.8
159.08092	5.5
159.11673	6.8
161.05945	4.5
161.08176	4.5
161.09592	15.1
163.07495	4.7
163.11162	7.2
165.09081	27.9
167.08562	6.7
169.10124	8.6
171.08095	7.1
171.11676	7.2
173.09622	5.8
175.11189	12.1
177.09200	3.8
181.10191	4.0
183.11694	6.2
185.09596	8.7
187.11087	14.5
189.09100	11.4
189.11163	13.4
191.10683	3.8
193.12222	30.3
195.11703	5.0
197.09605	5.1
197.13318	2.8
199.09604	10.0
199.11227	6.4
203.10635	7.8
205.12251	10.2
209.09619	5.8
209.13312	3.1
211.11331	4.6
211.13260	15.7
213.12657	3.2
217.12248	3.5
218.89781	3.0
223.11165	3.0
227.10666	11.4
227.12593	5.8
231.10088	4.1
231.13631	4.7
233.15372	9.0
239.12793	8.4
241.12225	6.1
245.11633	4.2
255.13843	3.6
257.65628	3.0
259.13290	3.3
263.13000	3.2
267.15887	8.3
273.14743	8.6
278.93570	3.0
283.20337	3.0
293.18976	4.8
303.17404	4.2
311.19958	17.4
321.18402	19.2
329.21030	25.1
339.19489	63.2
357.20520	80.8
358.20828	4.5
369.61261	2.6
375.21555	17.8
380.20560	2.6
413.23026	7.9
431.24197	61.2
432.24545	3.6
449.25247	54.0
450.25980	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03927	0.4
53.11440	0.3
57.03433	0.7
61.02919	5.9
63.33062	0.3
68.99780	0.9
69.03398	1.4
70.87238	0.4
70.87591	0.7
72.08122	0.5
73.02907	1.7
81.03389	0.6
85.02895	4.8
86.09682	0.7
91.03946	3.1
97.02882	3.1
97.06501	0.4
107.04949	0.6
109.02862	0.5
111.00796	0.8
120.08080	1.1
121.02837	3.4
127.03908	0.9
133.02878	0.5
137.02295	1.1
145.06473	0.4
147.04373	0.8
153.01807	5.2
157.06479	0.8
165.01770	2.6
168.71979	0.3
183.02827	1.1
185.05902	0.8
203.13850	0.5
213.05466	1.7
241.04889	0.9
254.83681	0.3
258.05267	1.7
259.05936	0.3
270.05710	0.3
278.94797	0.3
284.01791	0.3
287.05450	100.0
288.05768	2.7
299.05557	0.4
377.43167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.7
53.24009	0.3
55.01819	1.3
55.05472	0.4
57.03392	1.0
59.02781	0.4
65.03904	0.5
67.01838	0.3
67.05448	0.4
68.99741	1.4
69.03360	1.4
69.03703	0.4
69.07011	1.2
70.00879	1.9
70.06531	1.4
72.08099	1.0
72.67356	0.3
78.46422	0.3
79.05466	0.8
81.03347	1.6
81.03786	0.4
82.52896	0.4
83.04955	0.6
83.49253	0.4
84.08076	0.8
85.02888	3.3
86.09640	0.9
87.00777	0.4
89.03859	0.4
91.05402	1.2
93.07023	0.6
95.04926	0.9
97.02824	1.3
97.06446	0.6
103.03896	0.5
105.01790	0.4
107.04878	0.4
109.02881	2.1
119.04898	0.9
121.02792	1.5
121.10053	0.4
123.04323	0.4
127.03830	1.2
131.04877	0.4
135.04399	3.9
137.02335	8.0
137.03334	0.6
141.01770	2.5
147.04308	1.6
149.02252	1.5
153.01820	0.6
161.02299	2.7
161.05983	0.5
162.67534	0.3
163.03900	3.2
165.00432	0.7
165.01810	13.3
167.03378	4.3
175.03796	0.6
175.07460	0.6
177.01736	1.4
177.05394	0.7
179.03323	1.5
181.04858	1.1
183.02869	9.2
187.03838	1.2
189.01813	0.6
191.03317	1.4
193.04770	0.5
195.02853	2.2
203.03317	0.9
203.10933	1.6
205.04953	0.9
207.02798	0.6
212.09402	1.3
213.10164	0.9
215.03314	0.7
221.04393	0.5
225.09834	0.4
231.02867	0.4
231.06503	0.6
233.04176	0.6
241.13423	0.4
243.02879	0.9
245.04362	1.2
255.06502	0.9
261.03903	0.8
269.04346	0.5
269.12820	4.2
271.05829	1.0
272.06607	0.8
277.14609	0.7
279.06726	0.4
283.05975	8.4
286.04681	3.5
287.05484	8.3
287.13904	2.2
288.05792	0.5
295.05917	1.6
297.04239	0.5
297.07587	6.8
299.05460	100.0
300.06149	11.7
301.06839	1.1
309.07458	0.8
310.04559	0.9
311.05441	11.1
311.09103	2.7
312.05713	0.4
313.03601	0.7
313.06985	2.8
321.07513	2.9
323.05496	2.5
324.06232	2.5
325.03549	1.4
325.07004	22.0
326.07214	0.9
327.04868	1.0
329.06519	68.4
330.06747	2.6
337.06879	2.4
339.04541	0.8
339.08582	13.6
340.08878	0.6
341.06610	0.8
349.06943	3.7
353.06516	36.2
354.06848	1.4
365.06509	10.0
367.08084	2.7
377.06534	8.4
383.07581	19.7
384.08020	0.6
395.07571	17.8
396.07751	0.6
413.08627	19.5
414.09048	0.8
431.09689	9.4
449.10083	2.5
449.22772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.11686	0.1
50.81997	0.2
55.01846	0.2
55.96073	0.1
57.03426	0.3
61.02923	3.7
67.01849	0.3
68.99783	0.6
69.03404	0.5
70.06557	0.2
70.22491	0.6
71.04970	0.2
73.02924	0.9
79.05453	0.1
81.03385	0.2
85.02899	3.5
86.78399	0.1
91.03423	0.2
91.03942	1.7
93.61805	0.1
94.22512	0.1
97.02882	1.4
105.03372	0.3
107.04923	0.3
109.02866	0.3
111.00784	0.5
111.04414	0.2
121.02852	2.0
127.03875	0.5
129.06998	0.1
133.02812	0.3
135.04382	1.1
137.02324	0.8
145.04945	0.4
145.06462	0.2
147.04378	0.6
153.01807	4.7
157.06456	0.4
161.02283	0.3
161.05945	0.2
165.01761	1.3
171.02919	0.2
171.04369	0.2
176.71800	0.1
183.02873	0.5
185.05913	0.4
189.05553	0.1
203.03401	0.2
213.05463	0.9
229.04880	0.2
229.08650	0.3
231.06456	0.5
241.04921	0.6
258.05197	0.6
259.05884	0.4
269.04324	0.4
277.97885	0.2
287.05463	100.0
288.05786	3.2
299.05521	0.8
325.06949	0.2
329.06537	0.5
353.06412	0.4
449.10513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.8
55.01863	4.2
55.05503	19.7
57.03427	14.9
63.90392	1.3
65.03925	4.9
67.05132	3.1
67.05495	63.0
69.03413	2.0
69.07053	18.3
71.01334	4.7
71.04955	3.8
71.75326	2.1
79.05482	58.8
81.03398	13.1
81.07043	55.6
82.07381	2.0
83.04971	16.1
83.08602	13.0
85.02898	1.6
85.06532	5.2
91.05462	100.0
93.07029	63.7
95.04956	16.4
95.08589	24.7
97.02881	2.9
97.06528	8.3
97.10167	3.3
99.08075	2.2
105.07014	38.2
107.04958	13.4
107.08582	19.0
109.06525	6.5
109.10126	2.9
111.08082	4.7
117.07008	11.7
119.08566	17.7
121.06495	3.0
121.10122	21.2
123.08037	2.2
128.06187	3.2
129.06969	6.0
131.08554	11.9
133.10103	27.1
134.10428	1.7
135.08032	3.2
135.11661	5.2
139.11176	3.7
143.08534	5.3
145.10094	4.5
147.08037	4.3
147.11684	14.1
149.02321	6.9
149.09586	11.1
149.13242	13.6
151.11160	3.3
155.49554	1.8
159.11662	6.5
161.09572	11.8
161.13187	3.2
167.10678	3.1
171.11665	10.3
177.12743	3.4
179.10687	7.1
189.12714	4.4
195.13814	5.3
207.13757	9.7
225.14719	2.5
269.17480	7.0
281.17398	4.0
447.21512	2.6
447.27304	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.8
55.01863	4.2
55.05503	19.7
57.03427	14.9
63.90392	1.3
65.03925	4.9
67.05132	3.1
67.05495	63.0
69.03413	2.0
69.07053	18.3
71.01334	4.7
71.04955	3.8
71.75326	2.1
79.05482	58.8
81.03398	13.1
81.07043	55.6
82.07381	2.0
83.04971	16.1
83.08602	13.0
85.02898	1.6
85.06532	5.2
91.05462	100.0
93.07029	63.7
95.04956	16.4
95.08589	24.7
97.02881	2.9
97.06528	8.3
97.10167	3.3
99.08075	2.2
105.07014	38.2
107.04958	13.4
107.08582	19.0
109.06525	6.5
109.10126	2.9
111.08082	4.7
117.07008	11.7
119.08566	17.7
121.06495	3.0
121.10122	21.2
123.08037	2.2
128.06187	3.2
129.06969	6.0
131.08554	11.9
133.10103	27.1
134.10428	1.7
135.08032	3.2
135.11661	5.2
139.11176	3.7
143.08534	5.3
145.10094	4.5
147.08037	4.3
147.11684	14.1
149.02321	6.9
149.09586	11.1
149.13242	13.6
151.11160	3.3
155.49554	1.8
159.11662	6.5
161.09572	11.8
161.13187	3.2
167.10678	3.1
171.11665	10.3
177.12743	3.4
179.10687	7.1
189.12714	4.4
195.13814	5.3
207.13757	9.7
225.14719	2.5
269.17480	7.0
281.17398	4.0
447.21512	2.6
447.27304	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48634	6.7
51.83614	7.3
53.03934	7.7
54.24537	7.0
55.01857	12.2
55.05502	33.9
57.03416	20.3
67.05492	97.6
69.07047	32.7
70.03970	42.8
71.04974	7.6
75.70945	6.5
77.86979	6.6
79.05482	61.0
81.03408	71.9
81.07051	90.1
83.04958	16.4
83.08589	23.3
91.05431	59.6
93.07024	73.2
95.04951	28.0
95.08589	49.7
97.06537	14.0
97.10150	11.8
105.07005	29.8
107.08572	47.5
109.06452	14.3
109.10123	25.6
111.04410	7.9
111.08027	7.9
113.00002	73.7
117.06964	21.3
119.08552	36.7
121.06464	20.3
121.10117	28.2
123.07980	9.6
125.09650	8.9
129.06970	22.4
131.08560	22.6
133.10083	23.8
135.08051	10.6
135.11682	24.0
137.09560	10.8
145.06476	16.2
145.10101	22.1
147.08023	10.5
147.11600	9.9
149.02281	24.6
149.09605	9.2
149.13239	7.2
157.10071	13.2
159.07962	9.1
159.11711	11.0
162.97061	6.9
165.09116	18.5
169.02596	21.2
171.11580	8.4
173.13145	13.5
213.05934	7.2
227.12640	12.4
241.00005	6.8
243.20998	17.9
261.22040	27.4
317.24646	8.9
335.25708	100.0
355.18863	17.9
447.23209	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.2
55.01868	6.7
55.05507	18.8
57.03434	7.6
57.07066	1.2
65.03923	2.7
67.05495	23.3
69.03417	3.3
69.07065	14.4
69.98017	7.8
71.04969	3.4
79.05484	45.3
81.03407	27.8
81.07042	17.6
83.04959	4.2
83.08604	8.6
85.02837	2.1
85.06509	1.7
91.05463	27.4
93.07030	17.8
95.01335	1.6
95.04970	14.2
95.08601	10.1
97.02874	3.6
97.06499	8.9
97.10153	11.7
103.05457	2.5
105.03381	2.2
105.07027	15.0
107.04945	14.4
107.08576	19.2
109.02847	6.0
109.06485	4.5
109.10143	6.4
111.08040	1.7
115.05425	5.3
117.07007	19.6
119.04924	3.7
119.08560	11.0
121.02788	1.9
121.06472	10.1
121.10096	3.1
123.04449	2.2
123.08041	3.9
123.77412	1.3
125.02335	12.5
125.05983	2.9
125.09631	8.7
128.06212	3.2
129.06999	8.9
131.04918	6.5
131.08536	8.3
133.06474	6.5
133.10110	4.9
135.04398	3.5
135.08047	15.5
135.11674	3.7
137.05984	1.8
137.09566	4.4
141.06943	5.4
143.06982	4.3
143.08510	4.3
145.02844	1.5
145.06464	11.0
145.10136	10.2
147.04404	7.5
147.08034	4.7
147.11639	2.4
147.44748	1.3
149.02283	6.7
149.05927	1.7
149.09573	3.7
151.07452	1.5
153.06941	1.7
155.08537	7.8
157.05266	1.6
157.06465	5.6
157.10103	5.3
159.04417	1.5
159.08018	4.8
159.11635	1.6
160.05162	4.4
161.05969	16.4
161.09602	3.7
161.13216	1.4
163.07501	9.3
163.11140	5.9
165.06978	2.9
165.09071	3.8
167.08557	2.6
169.06436	2.4
169.10080	3.7
171.04335	2.6
171.08020	4.7
171.11705	1.9
173.05965	4.0
173.09641	6.7
175.07494	3.5
175.11115	2.7
177.09135	2.4
179.08572	1.8
181.08517	4.4
181.10033	2.7
183.08055	5.8
183.11671	2.0
185.05905	1.8
185.09618	6.8
187.07486	2.5
187.11180	2.2
189.09209	2.8
189.11215	5.5
191.10649	3.6
193.04991	3.2
193.10207	2.2
193.12233	5.9
195.08090	2.5
195.11804	2.1
197.09613	5.4
199.09531	1.4
199.11195	3.7
201.09149	4.8
201.12683	1.9
203.10715	6.3
207.08049	1.5
209.09494	2.7
211.07483	4.7
211.11160	5.0
213.09169	1.6
213.12749	2.0
215.10674	3.1
219.10138	2.9
221.11617	1.4
225.09106	4.0
227.10715	2.3
227.14529	1.5
229.12164	3.2
235.11247	1.8
237.11166	4.7
239.10753	1.9
241.12216	3.2
243.10107	10.7
243.13844	3.3
259.13239	3.1
261.11194	5.8
271.13232	3.8
273.14932	1.9
289.14328	14.0
291.17319	1.6
299.19974	2.6
309.18375	6.5
319.16577	1.4
325.71213	1.4
327.19543	10.8
337.17926	16.0
355.18994	100.0
356.19324	4.5
373.19989	13.9
375.19604	1.9
391.21332	1.8
393.20477	3.8
403.21057	4.4
411.21649	9.2
429.22684	45.8
430.22910	3.1
447.23700	66.5
448.24136	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
54.20731	1.2
55.01856	8.9
55.05505	16.3
57.03421	5.2
67.05492	21.8
69.03409	5.2
69.07056	15.9
71.04976	3.6
71.19525	3.0
73.06523	1.2
79.05479	38.2
81.03404	23.7
81.07047	17.8
83.04960	3.3
83.08594	6.5
85.02869	1.4
91.05455	26.4
93.07026	16.6
95.01275	1.6
95.04951	14.9
95.08602	7.8
97.02861	1.7
97.06504	6.9
97.10154	12.1
103.05428	1.6
105.03351	1.7
105.07009	14.3
107.04942	12.4
107.08583	17.9
109.02848	6.7
109.06483	2.7
109.10160	6.5
115.05415	4.1
117.06998	15.5
119.04923	3.2
119.08561	11.2
121.02780	1.1
121.06480	7.6
121.10146	4.2
123.04486	3.1
123.08059	2.0
125.02348	10.1
125.05938	1.8
125.09595	7.6
128.06215	2.7
129.06989	10.0
131.04909	6.2
131.08530	8.9
133.06477	7.6
133.10121	3.2
134.83322	1.4
135.04379	3.2
135.08032	14.4
135.11684	3.8
137.05884	1.5
137.09586	3.7
141.06996	4.9
142.07722	2.2
143.07004	4.0
143.08514	4.0
145.06451	11.7
145.10095	8.0
147.04399	8.7
147.08037	6.4
149.05963	1.7
149.09584	3.3
155.08505	7.5
157.06516	6.4
157.10132	4.4
159.04376	2.7
159.08052	6.0
159.11633	2.3
160.05161	4.2
161.05954	17.3
161.09596	2.1
163.07500	5.8
163.11150	7.7
165.07014	3.8
165.09138	4.9
167.08521	2.7
169.06544	2.5
169.10126	4.4
171.08038	5.9
171.11662	3.2
173.05974	5.5
173.09601	6.5
175.03967	1.3
175.07507	1.5
175.11185	5.3
177.09105	2.3
179.08598	2.6
181.06335	1.5
181.08575	5.8
181.10033	2.3
183.08047	6.9
183.11694	1.6
185.06084	2.4
185.09583	7.6
187.07559	3.0
187.11194	3.2
189.09137	2.5
189.11201	3.3
191.10683	4.3
193.12263	5.6
195.08052	1.5
195.11696	2.1
197.09607	7.8
197.13318	1.3
199.07416	1.9
199.11180	4.9
201.09084	4.3
203.10657	4.6
211.07474	5.2
211.11174	3.5
213.09143	1.6
213.12793	1.5
215.10680	4.7
221.11673	1.9
223.11150	1.8
225.09056	3.2
225.12761	3.0
227.10704	2.3
227.12704	2.8
229.08571	1.4
229.12222	3.6
231.13702	2.6
235.11203	2.1
237.11206	2.6
239.10747	2.4
241.12233	3.3
243.10181	10.3
243.13828	3.0
249.14749	1.7
257.11768	2.4
259.13290	4.6
261.11160	6.0
271.13177	2.4
273.14886	3.0
289.14276	14.0
291.17282	1.9
309.18387	6.7
319.17038	1.8
327.19492	14.6
337.17908	16.9
345.20480	1.6
355.18982	100.0
356.19284	7.2
357.20889	1.6
365.21078	2.1
367.19122	1.4
373.20001	15.3
374.20200	1.4
383.22223	1.6
390.71945	1.3
391.20834	3.0
393.20486	2.5
401.23340	1.5
403.21274	5.0
411.21609	8.5
429.22678	47.6
430.22849	1.9
447.23697	70.6
448.24188	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66262	1.8
53.03936	8.8
55.01864	8.5
55.05508	19.4
57.03428	33.0
59.55026	2.4
61.02916	70.8
65.03917	2.1
65.28086	1.7
67.05493	35.1
69.03420	37.1
69.07055	10.4
70.06588	2.6
71.01340	6.2
71.04982	8.7
71.58928	3.1
73.02904	39.6
73.04736	1.8
73.58559	2.0
79.05483	42.5
79.43851	1.8
81.03409	93.3
81.07044	38.2
83.04965	27.2
83.08602	25.3
85.02892	96.6
85.06517	1.9
87.04430	3.2
91.03941	41.1
91.05457	52.5
93.07029	25.2
94.19677	1.9
95.04958	34.9
95.08598	15.9
97.02882	59.0
97.06523	7.2
97.10138	3.1
99.04429	11.4
101.02361	16.4
103.03944	6.2
105.07014	35.5
107.04965	12.6
107.08584	10.0
109.02872	17.7
109.06499	5.1
109.10149	3.4
110.41533	1.7
111.04421	6.2
111.08060	16.7
112.22218	2.3
113.05978	3.4
115.03893	3.3
115.05444	3.1
117.05492	2.2
117.07034	4.4
119.08563	27.3
121.10094	9.7
123.08036	5.6
125.09668	2.7
127.03887	31.7
129.05458	5.8
129.06976	19.9
131.08537	19.8
133.06487	3.1
133.10106	25.0
142.07797	4.7
145.04951	7.0
145.10121	5.0
147.08011	4.6
147.11667	23.3
149.02290	3.2
149.09590	8.7
157.10117	29.0
163.11180	3.7
165.12724	7.9
173.09584	2.0
175.11168	28.9
183.06589	3.6
193.12215	100.0
201.07555	3.7
201.93306	2.1
211.13257	91.3
249.14787	2.6
250.39384	1.8
267.15860	17.5
285.16916	73.8
286.17459	2.6
309.16940	2.8
313.16315	5.0
429.21198	5.7
447.22226	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.9
55.01861	14.0
55.05504	18.5
57.03191	2.4
57.03432	30.9
60.04503	2.0
61.02920	59.3
65.03932	3.1
67.05498	34.0
67.56844	1.9
68.66357	1.6
69.03423	37.0
69.07066	12.0
70.06576	3.4
70.73082	6.1
71.01337	6.5
71.04978	9.9
71.49539	1.7
72.08150	2.0
73.02907	28.9
73.04750	1.9
74.06062	7.5
74.22138	1.7
75.04436	1.8
79.05486	40.1
81.03408	97.5
81.07042	36.6
83.04971	35.0
83.08611	27.7
84.08126	2.4
85.02896	87.5
85.06519	1.6
86.09695	53.7
87.04455	3.3
91.03951	39.6
91.05457	54.3
91.76405	1.6
93.06493	2.4
93.07030	25.4
94.80957	1.6
95.04386	3.1
95.04952	34.1
95.08601	14.4
97.02884	57.3
97.06508	9.2
97.10117	2.9
99.04462	10.0
100.61516	1.6
101.02356	14.2
103.03903	7.8
105.07016	31.3
107.04958	13.0
107.08579	8.7
109.02856	16.5
109.06500	5.5
109.10131	3.1
111.04412	7.9
111.08073	17.0
112.07588	2.3
113.05968	3.8
115.03913	3.4
115.05440	2.4
117.06965	2.7
119.08574	22.3
121.10142	10.3
123.08065	4.6
123.11692	3.1
125.09563	2.2
127.03913	26.3
127.07622	1.6
129.05476	9.4
129.06978	17.8
130.08621	6.7
131.08565	18.7
133.06439	3.5
133.10124	22.8
135.04343	1.9
135.11684	2.2
137.05975	2.3
137.09610	4.3
142.07784	3.4
145.04918	7.5
145.10100	3.9
147.08025	4.4
147.11653	22.7
149.02298	6.1
149.09595	8.5
151.03922	9.3
151.11186	2.3
157.10095	22.9
163.11122	3.3
164.59825	1.9
165.12680	4.2
170.01730	1.8
175.11154	33.9
183.06517	6.4
185.09192	5.8
187.14421	3.4
193.12218	100.0
194.12512	2.9
201.07599	4.7
203.10242	5.4
211.13272	96.7
223.09628	6.0
227.12746	3.4
245.18640	10.6
249.14799	2.1
267.15909	17.1
285.16928	75.6
298.17560	7.0
313.16382	3.6
316.18719	2.2
361.02490	2.0
429.21152	2.7
447.12817	4.1
447.22534	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.8
55.01868	10.0
55.05504	23.7
57.03423	26.7
57.07068	4.3
57.65442	3.9
58.89758	3.5
60.04508	7.9
61.02916	28.6
67.05490	28.3
69.03422	38.5
69.07046	16.0
70.06572	15.7
71.04966	8.2
71.74401	7.8
72.08132	6.6
73.02892	16.0
74.06046	6.3
79.05495	25.3
81.02934	6.5
81.03403	100.0
81.07027	28.2
82.91589	3.6
83.04511	4.4
83.04968	52.2
83.08616	22.5
84.04502	8.2
84.08118	11.5
85.02896	64.2
86.03246	4.2
86.09691	63.5
87.00806	6.0
87.04464	4.2
87.10017	5.3
91.03947	13.7
91.05374	29.1
93.07037	27.8
95.04963	30.4
95.08602	10.3
97.02888	42.2
97.06501	14.3
97.10157	6.7
99.04424	9.8
101.02363	7.5
102.05521	4.0
103.07590	3.5
105.01830	13.6
105.07005	19.6
107.04922	10.0
107.08570	7.4
109.02837	15.8
109.06493	9.1
109.10154	6.0
111.04416	15.4
111.08044	14.0
112.07616	4.5
115.05452	4.3
119.08564	16.7
120.97747	4.1
121.10115	12.1
123.11591	4.2
124.03869	3.9
127.03915	26.1
128.06218	4.7
129.05493	20.0
129.06967	10.6
130.08611	7.8
131.08542	18.0
132.10150	6.5
133.06482	4.4
133.10074	18.7
135.08005	3.6
135.11667	5.5
137.05945	4.6
139.85852	3.9
147.11620	26.0
147.94487	3.4
149.02287	14.3
149.09596	11.2
157.10143	19.1
163.03860	6.6
163.11055	5.4
165.12827	5.0
167.05553	4.5
175.11154	20.5
182.80725	3.8
185.09357	4.5
193.12201	76.7
201.12349	6.4
211.13260	55.5
219.13344	7.5
227.12729	6.4
229.14259	7.2
231.04863	5.2
257.04559	4.6
267.09033	5.1
267.15878	28.1
268.16125	4.5
277.00311	5.4
283.15454	5.4
285.16928	77.5
301.25528	3.9
313.07141	4.9
361.02515	7.3
429.21069	8.7
447.17249	5.2
447.22949	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01857	3.6
55.05507	5.2
56.16614	0.8
57.03429	2.4
61.02918	0.9
63.48235	0.7
64.79349	0.8
65.03932	1.1
67.05500	9.5
68.99783	1.6
69.03421	21.0
69.07055	3.7
70.06579	1.3
71.04980	1.2
71.74817	1.2
73.02899	1.0
79.05482	11.9
81.03411	13.7
81.07048	9.8
83.04951	1.7
83.08601	2.9
85.02903	1.7
85.06512	1.5
91.05437	10.1
93.07027	7.7
95.04945	6.6
95.08601	5.0
97.02877	1.5
97.06513	2.9
97.10197	1.7
105.07021	6.1
107.04951	4.4
107.08578	5.2
109.02847	1.3
109.06500	1.8
109.10161	2.4
111.04415	2.1
111.08123	1.2
114.55026	0.8
115.05451	1.5
117.07012	5.1
118.85909	0.8
119.04911	1.0
119.08605	4.2
121.02846	3.4
121.06488	3.9
121.10138	3.2
123.00780	1.0
123.08046	1.6
125.05959	1.4
125.09625	2.1
127.03926	0.9
129.06952	2.3
131.08542	2.9
133.06488	2.0
133.10126	2.9
135.04395	3.2
135.08043	5.4
135.11707	1.6
137.06007	1.1
137.09589	1.0
141.01823	1.1
143.07027	0.9
143.08536	1.6
145.02818	0.9
145.06462	2.3
145.10126	2.4
147.04401	1.9
147.07980	2.3
147.11676	2.4
149.02324	3.8
149.05974	3.4
149.09633	2.1
151.03903	10.9
151.11176	1.4
155.08530	1.5
157.10143	2.3
159.04402	1.4
159.07945	1.5
159.11642	0.9
161.02315	0.9
161.05963	3.2
163.03911	6.4
163.07526	3.0
163.11154	1.6
165.01807	6.2
165.09053	1.1
167.03409	3.1
169.01323	1.9
169.10110	1.1
173.02251	3.3
173.06017	1.5
173.09627	1.5
175.03880	2.7
175.11096	1.7
183.02849	3.9
185.09622	1.8
191.03358	2.7
191.10783	0.9
193.04958	2.4
193.12234	2.1
195.02913	2.1
199.03955	1.3
199.09633	1.2
201.05550	2.0
203.10605	2.5
205.12222	0.9
209.11668	1.5
211.11243	1.1
211.13190	0.9
213.05478	1.7
217.04912	3.5
243.06497	2.1
243.10190	1.7
245.04472	1.2
247.13319	1.1
254.05843	1.9
257.04562	1.1
258.05042	1.1
259.09564	1.2
267.13702	1.8
268.07205	2.0
269.23358	0.9
270.05356	4.1
271.05988	4.2
282.05124	4.8
284.06702	1.7
285.10416	1.2
286.04611	3.3
296.06781	19.0
297.07465	4.0
298.04678	17.0
299.05338	2.4
300.06247	7.0
301.07043	8.7
308.06827	1.5
309.07355	1.2
310.04813	5.0
311.09052	8.8
311.12506	1.6
311.16165	1.3
312.06186	2.3
313.07019	56.5
314.07654	8.7
315.07898	1.6
322.08173	6.2
324.06244	20.0
325.06924	10.4
326.07672	2.9
327.08490	7.0
327.19348	2.8
328.05762	15.1
332.06839	1.2
336.06250	3.2
337.06848	1.6
337.10620	1.1
337.17950	3.0
339.04596	2.3
339.08606	31.7
340.08884	2.2
341.10031	4.0
343.08093	76.3
344.08340	2.8
349.10831	1.0
350.07803	14.2
351.08667	7.6
352.05640	1.9
353.06482	1.8
355.07816	2.1
355.15268	2.0
355.19012	10.2
360.06235	1.7
365.10172	15.7
367.08087	78.5
368.08438	3.9
369.09586	3.6
373.20065	3.2
375.08597	1.7
378.07330	13.7
383.11169	2.2
393.09625	43.0
394.10007	1.8
411.10706	100.0
412.11102	5.4
429.11700	14.1
429.23050	5.3
447.13110	9.9
447.23950	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1284
Annotation	Dihydrogranaticin
Peak:m/z	Relative Intensity
53.03928	1.9
55.01875	3.1
55.05505	5.1
57.02780	0.6
57.03423	2.2
65.03938	1.4
67.05499	8.2
69.03422	18.7
69.07059	3.5
71.04980	1.7
71.28750	1.4
79.05486	11.3
81.03411	12.6
81.07047	8.1
83.04964	2.3
83.08590	2.5
83.09023	0.6
85.02888	1.9
85.06520	0.8
91.05446	10.6
93.03400	0.7
93.07033	8.8
95.01302	0.6
95.04958	6.6
95.08591	5.0
95.67760	0.6
97.02853	1.4
97.06506	4.2
97.10147	2.2
99.04443	0.9
103.05442	1.2
105.03381	0.8
105.07024	5.0
107.04929	5.0
107.08585	5.0
109.02871	1.5
109.06488	1.4
109.10152	1.3
111.04408	2.2
111.08052	1.3
115.05432	1.5
116.06192	0.7
117.03349	0.9
117.07018	5.0
119.04888	0.7
119.08576	5.4
121.02864	2.5
121.06486	3.3
121.10114	2.5
123.00803	1.3
123.04401	1.6
123.08051	1.5
125.02335	0.9
125.06039	1.1
125.09617	1.6
127.03902	0.7
128.06245	1.1
129.06993	2.6
131.04935	2.2
131.08551	2.6
133.06493	1.8
133.10123	2.1
135.04420	2.7
135.08023	5.7
135.11679	2.0
137.02394	0.7
137.09596	1.7
141.01814	1.5
141.06981	1.5
142.07823	0.7
143.06966	0.8
143.08469	1.1
145.02786	0.8
145.06458	2.3
145.10129	3.5
147.04405	1.8
147.08043	2.1
147.11716	0.7
147.81757	0.7
149.02354	1.7
149.05966	2.8
149.09595	1.7
151.02798	0.9
151.03908	10.2
151.05054	0.7
151.11116	0.7
153.09058	1.4
155.08560	1.2
157.06429	1.3
157.10098	1.9
159.04411	2.3
159.08073	1.7
159.11665	0.9
161.05969	3.6
161.09567	0.9
163.03877	4.4
163.07536	3.1
163.11145	4.2
163.42387	0.7
165.01854	6.7
165.09149	2.7
167.03380	1.9
167.08536	1.4
169.01237	1.1
171.08028	1.0
173.02324	1.2
173.05974	1.5
173.09598	1.5
175.03883	1.7
175.07527	1.1
175.11159	1.9
181.06369	0.8
181.08662	1.3
181.10161	0.7
183.02863	3.6
183.04340	0.8
183.08035	1.6
185.05969	0.7
187.03914	1.7
187.07687	0.9
187.11101	0.9
189.05409	0.8
189.09134	1.1
191.03366	1.5
191.10648	0.9
193.04990	1.6
193.12167	2.9
195.03017	0.7
199.03851	1.5
199.07570	0.8
199.09647	1.3
201.05547	0.7
201.09123	0.8
203.10670	1.0
211.07542	1.2
213.05476	1.5
215.10629	1.3
217.04927	2.2
225.09157	0.8
225.12764	0.9
227.12692	4.3
237.11063	1.0
243.06578	1.6
243.10239	1.5
243.13838	1.2
244.09749	0.8
245.04443	1.1
254.05777	0.8
257.04373	1.4
259.06088	0.9
259.09546	1.1
261.10889	1.0
265.14395	0.9
267.13608	1.0
268.07193	1.3
270.05115	2.8
271.06036	2.9
271.13324	0.8
282.05228	3.6
284.06689	0.9
285.07523	1.0
286.04745	1.9
289.14301	2.1
294.08749	0.9
296.06784	11.1
297.07477	2.6
298.04660	13.4
298.07993	1.3
299.05313	1.7
300.06241	5.0
301.07053	5.3
302.07349	0.8
303.04828	1.0
304.07361	0.7
308.06622	1.8
309.18430	1.3
310.04755	3.4
311.05701	1.0
311.09030	4.4
311.12463	1.0
312.06046	3.0
313.07013	50.9
314.07623	8.0
315.07706	3.9
322.08331	4.3
324.06238	12.3
325.07071	9.4
326.07654	2.5
327.08511	5.8
327.19507	1.9
328.05701	11.7
328.09134	1.2
332.06912	1.0
334.08276	1.8
336.06229	3.2
337.07034	1.7
337.10596	1.4
337.14197	1.1
337.17975	2.8
338.08041	0.9
339.04926	1.3
339.08578	14.6
340.08688	1.3
341.10107	2.5
343.08084	53.6
344.08249	3.1
349.10721	1.4
350.07770	12.4
350.11646	0.9
351.08566	6.6
352.05591	1.2
353.06488	1.2
355.07831	0.8
355.11749	0.9
355.15289	1.7
355.19040	12.5
357.09573	0.8
360.06210	1.5
365.10190	13.4
366.10220	0.7
367.08078	37.9
368.08401	2.4
369.09644	2.1
373.19998	3.6
375.08609	2.0
378.07309	13.0
383.10818	1.8
385.09027	1.3
391.20953	0.7
393.09631	42.5
394.09982	2.2
411.10678	100.0
412.11060	4.2
429.11609	13.6
429.22879	7.9
447.12762	3.9
447.23874	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1283
Annotation	Dihydrogranaticin
Peak:m/z	Relative Intensity
51.29726	0.3
53.03938	0.4
53.89106	0.3
55.01835	1.0
55.05473	1.3
57.03402	0.6
59.04999	0.3
61.02899	0.4
65.03902	0.8
67.05505	1.7
68.40739	0.3
68.99763	1.1
69.03422	22.8
69.07020	0.9
70.03745	0.3
71.04969	0.4
71.75002	0.4
75.78886	0.3
79.05487	2.3
81.03408	2.5
81.07043	1.6
83.04949	0.8
83.08595	0.5
85.02860	1.0
91.05452	1.6
92.99702	0.5
93.07026	1.5
95.04960	1.8
95.08570	0.6
97.02851	0.4
97.06490	0.7
105.03352	0.5
105.06961	1.3
107.04903	1.2
107.08548	0.5
108.02085	0.4
109.02816	0.6
109.10137	0.4
111.04388	1.2
115.05418	0.3
115.53739	0.3
117.03311	0.5
117.06963	0.9
119.04897	0.4
119.08505	0.5
121.02806	1.3
121.06444	0.7
121.10123	0.3
123.00786	0.4
125.05944	1.0
127.03838	0.4
129.06966	0.6
131.04912	0.3
131.08533	0.5
133.02826	0.5
133.06419	0.4
133.10060	0.6
134.03575	0.5
135.04382	1.7
135.07990	0.6
137.02295	0.7
141.01776	1.4
145.02791	0.5
145.06476	0.4
145.10114	0.4
147.04337	0.4
147.08005	0.4
149.02287	1.1
149.05969	2.7
149.09584	0.3
151.03885	12.6
151.04979	0.8
157.06343	0.3
157.10092	0.5
159.04315	0.5
159.07942	0.3
161.02287	0.5
161.05937	1.1
163.03864	2.0
165.01814	9.9
167.03355	2.6
171.04388	0.5
173.02271	0.3
173.05977	0.5
175.03889	3.1
177.01814	1.2
179.03279	0.4
181.04938	0.5
183.02898	4.8
183.04396	0.7
189.01866	0.4
191.03314	2.0
193.04938	2.1
195.02931	2.1
199.03865	0.8
201.05440	1.2
203.03358	1.2
207.02846	0.5
213.05557	0.4
215.06891	0.4
217.04860	2.3
221.04379	0.7
223.02232	0.4
227.03357	0.9
229.04933	0.7
235.05986	0.6
243.06474	2.4
244.03508	0.3
245.04369	1.7
251.07188	0.3
253.05063	0.5
254.05670	1.2
255.06386	0.4
257.04370	1.0
258.05161	1.4
259.06091	0.9
261.03787	0.5
263.05362	0.4
267.06409	0.6
267.13791	0.5
268.07205	2.8
269.08029	0.8
270.05215	4.3
270.07925	0.3
271.05942	3.7
272.06674	1.0
276.07883	0.4
281.04413	0.4
282.05176	6.3
283.05969	0.6
284.06644	1.6
285.07285	0.8
286.04724	3.3
286.07858	0.7
293.08026	0.4
294.05099	0.4
294.08746	0.8
295.06125	0.6
296.06760	21.0
297.07355	5.1
298.04697	18.2
298.07825	0.9
299.05222	2.6
300.06284	8.8
301.07031	7.9
303.04935	1.0
304.07242	0.6
306.08749	0.7
307.05978	0.4
308.06845	2.1
309.07535	1.4
310.04681	5.3
311.05481	0.7
311.09085	10.4
311.12607	0.4
312.02744	0.5
312.06146	4.0
312.09351	0.7
313.07019	60.6
314.07693	8.7
315.07797	2.0
321.07562	0.6
322.04672	0.6
322.08322	7.2
324.06247	22.7
325.06995	11.9
326.07709	2.7
327.05005	0.8
327.08521	7.3
327.15155	0.3
327.19507	0.6
328.05719	19.1
329.06226	1.1
332.06641	1.5
334.08325	1.1
336.06268	3.8
337.06845	1.8
337.10703	1.9
337.17969	0.5
338.04022	0.5
338.07678	1.5
339.05106	1.3
339.08594	30.1
340.08948	1.2
341.01736	0.3
341.06149	0.5
341.10019	3.6
343.08084	77.2
344.08383	2.7
349.06915	0.5
349.10672	1.2
350.07797	15.0
351.08572	7.9
352.05685	2.3
353.06488	1.1
354.06921	0.4
355.07852	2.3
355.11597	0.7
355.19119	1.5
360.06125	1.8
365.10168	15.9
366.10526	0.6
367.08087	86.1
368.08508	3.1
369.09610	3.5
373.20270	0.5
375.08432	2.0
378.07294	14.9
379.07614	0.4
383.10855	1.6
385.08939	0.5
393.09641	47.8
394.09958	2.1
401.11536	0.4
411.10693	100.0
412.11057	4.9
429.11752	14.1
429.22858	0.7
430.12234	0.5
447.13037	14.0
447.23367	2.3
448.13446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59379	1.9
56.05019	1.8
57.03415	2.1
60.04527	9.3
61.02936	2.3
67.05494	3.4
69.03413	4.2
69.07064	4.2
70.06568	11.5
71.04950	2.0
72.08147	13.9
73.02909	6.2
73.04733	2.7
74.06075	3.4
77.89717	1.9
81.03408	5.2
84.04480	5.7
84.08138	7.3
85.02896	7.2
86.09694	100.0
87.05583	4.9
87.09998	2.0
88.03967	2.3
91.05776	15.1
92.05740	2.8
95.01328	2.5
97.02868	5.8
101.07123	1.8
104.81739	1.8
123.00781	8.4
124.01129	3.4
129.10248	3.6
131.04945	2.5
133.05135	3.2
133.06046	14.5
133.55392	1.9
141.01785	3.3
141.10216	3.2
145.04968	3.5
155.11874	2.5
167.05525	4.3
168.05501	2.1
169.01233	9.8
170.01665	5.7
173.12859	19.1
183.11301	5.6
187.07390	2.2
188.07822	2.4
200.13921	2.9
201.05086	3.7
201.12292	9.2
212.39397	1.8
215.07011	5.7
216.07382	4.6
219.13411	3.3
223.06317	2.4
225.04286	3.1
226.04301	2.1
228.13422	5.6
229.11777	5.1
246.14464	16.3
249.07599	3.2
259.09671	2.8
260.09927	3.7
284.14975	4.4
296.19669	6.5
315.16760	2.6
344.00052	3.1
359.02838	2.6
360.02765	10.2
361.02512	2.8
366.94745	2.1
407.81009	2.1
446.16260	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.8
55.01866	14.1
55.05503	3.1
57.03436	8.5
61.02914	9.3
67.05492	5.8
68.99765	4.4
69.03418	42.2
69.07062	4.0
70.06577	1.6
71.04975	4.9
71.74689	2.1
73.02905	11.8
79.05492	8.0
81.03409	36.4
81.07043	5.0
83.04966	2.2
84.04506	1.6
85.02895	100.0
85.06554	2.2
86.03247	1.9
86.09709	3.5
87.00819	33.5
87.04490	1.8
91.03928	3.3
91.05382	2.5
91.05819	4.6
93.07030	6.7
95.01305	4.0
95.04954	5.0
95.08597	1.8
97.02879	38.6
97.06518	28.7
98.03231	1.6
98.06857	8.2
98.97585	1.9
99.04444	17.8
99.37115	1.5
103.05453	6.3
105.01852	35.0
105.07010	3.1
107.04937	6.2
107.08598	2.6
108.04459	7.2
109.02863	37.1
112.77394	1.5
115.03907	1.7
117.01834	5.5
117.06937	1.7
117.54631	1.7
119.08571	2.0
121.06508	12.8
123.00767	24.2
124.01093	11.7
125.06003	1.6
126.05474	5.0
127.03902	76.2
129.01807	5.4
131.04916	1.7
135.04422	2.3
135.08020	2.5
137.02347	2.0
140.04668	21.6
140.10725	2.0
141.01831	8.5
142.02185	2.3
145.04930	38.4
147.02879	3.7
147.04434	1.7
149.05957	17.7
151.03935	4.9
153.05484	9.3
159.02870	27.9
161.02306	2.3
161.05902	2.3
163.03905	10.8
163.07532	2.1
164.04245	5.6
165.01758	4.3
167.03374	2.4
169.01305	30.3
170.01659	13.9
173.02328	4.4
173.05930	1.8
174.02707	2.5
177.03874	1.6
181.08580	89.3
181.52943	1.5
182.08913	2.0
183.02847	3.7
189.03810	2.0
193.12073	1.9
205.08588	4.7
213.03859	2.7
215.07025	5.7
216.07390	5.8
230.06667	2.7
231.04965	18.9
237.02736	2.6
247.09599	2.3
248.07661	4.7
259.09720	10.0
260.09949	17.2
271.05859	2.5
271.09634	1.6
282.05270	2.6
289.10461	2.0
296.06760	2.4
297.07547	1.9
298.04666	6.3
299.05383	4.4
300.06223	4.3
303.04840	5.1
311.08957	3.1
313.07010	22.8
314.07483	8.6
319.10748	2.1
320.11017	3.1
322.08109	2.3
324.06149	3.9
325.07077	4.6
325.42157	1.6
327.04950	2.1
327.08521	2.5
328.05649	5.7
328.09143	2.0
329.06427	4.0
337.00601	1.7
338.07324	2.9
339.08688	7.5
342.06732	2.4
343.04013	3.3
343.08084	34.4
350.07690	4.9
354.10602	2.0
355.15390	2.0
360.02628	2.2
362.11935	2.9
365.10162	5.2
367.07932	14.5
378.07379	5.2
382.10095	3.7
384.07837	8.4
393.09662	14.5
411.05695	3.2
411.10751	31.1
428.10400	5.9
429.11414	2.8
446.20795	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.9
55.05509	35.4
57.07078	41.8
67.05493	16.1
69.07061	70.4
70.66481	8.9
70.66838	7.0
71.08624	33.6
79.05479	14.4
81.07054	58.1
83.04948	5.6
83.08612	49.5
85.10181	14.6
90.08390	4.1
91.05445	6.3
91.07944	3.2
93.07029	32.1
95.04936	4.6
95.08594	43.5
95.49947	3.5
97.10153	32.3
105.07018	5.4
107.08572	20.2
109.06514	4.1
109.10136	24.1
111.08073	11.9
111.11729	20.8
119.08582	5.4
121.10131	11.3
123.08049	8.2
123.11720	11.8
124.05146	4.3
125.09602	5.0
125.13290	8.3
135.11702	15.4
137.05951	9.9
137.13263	6.4
139.07530	100.0
147.11668	3.9
149.09711	6.5
149.13284	19.8
151.07541	7.9
163.14844	13.1
164.07184	4.1
165.05447	17.9
165.09132	17.8
177.09084	5.3
177.16397	8.0
179.17972	3.8
182.27129	3.7
193.08601	19.3
193.49187	3.5
203.10637	4.1
217.12309	9.6
221.11813	4.7
231.13751	4.4
267.79745	4.5
289.28824	20.3
307.29877	23.3
349.95245	4.4
417.37250	7.2
427.35733	5.2
445.20023	8.1
445.36703	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01882	0.4
55.05503	6.7
56.05025	0.7
57.03415	0.3
57.05816	1.1
69.03421	0.5
69.07052	0.6
69.41135	3.1
70.06578	1.7
72.08143	100.0
73.04744	1.7
73.08478	0.8
81.03386	0.6
84.04488	12.0
84.08133	0.8
85.02893	0.7
86.09696	3.0
91.05792	7.8
95.01296	0.4
95.04956	0.4
95.63434	0.3
97.02868	0.4
98.21391	0.7
102.05524	3.8
114.07365	0.3
116.07085	0.6
118.08640	9.5
118.09458	0.5
120.08140	0.3
123.00790	2.5
129.10201	0.3
136.07582	0.5
138.09140	1.3
141.01831	1.1
141.10265	0.3
149.04446	0.3
155.11774	0.8
162.02171	0.3
167.05544	3.3
168.05673	0.4
169.01270	3.2
169.06509	1.0
171.14903	24.7
172.15224	0.6
183.11272	15.3
184.11647	0.4
187.07600	0.6
197.06091	0.6
199.14398	17.0
200.04697	0.8
200.14658	0.3
201.12331	2.8
211.10861	1.3
215.06984	1.5
216.07399	0.4
225.04253	1.4
227.02342	0.6
229.11807	36.4
230.12112	0.4
233.11496	0.5
247.12885	7.8
247.15273	0.5
259.09671	1.4
270.14478	0.4
300.19153	0.4
324.98737	0.3
328.18640	4.0
342.99686	0.8
346.19757	1.1
359.02814	3.9
360.03122	0.5
395.20953	0.3
445.16635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
53.03936	7.1
55.01868	4.3
55.05505	8.8
55.25853	0.7
57.03432	2.0
59.05012	0.8
65.03922	2.3
67.05499	28.3
69.03436	4.0
69.07065	10.4
71.04991	2.1
71.35481	1.7
73.04738	1.4
76.02217	0.8
79.05486	40.0
81.03410	100.0
81.07050	21.3
82.03742	1.2
82.07359	0.8
83.04969	9.7
83.08612	3.6
85.02895	1.8
85.06534	1.3
89.03915	0.9
91.05450	43.3
93.07034	33.3
95.01325	5.8
95.04961	14.6
95.08598	14.5
97.02896	2.7
97.06519	26.5
97.10146	2.6
103.05451	1.3
105.07018	20.6
107.04955	4.6
107.08586	9.6
109.06527	3.6
109.10173	3.7
115.05437	2.2
117.03349	1.7
117.07009	6.3
119.08572	30.1
120.08963	0.8
121.06492	7.0
121.10136	2.5
123.00780	40.0
123.08054	4.9
124.01092	1.5
125.02312	5.3
125.09574	0.8
127.03902	0.8
127.07575	0.8
128.06206	1.7
129.06979	9.7
131.04941	1.1
131.08575	2.8
133.06549	1.2
133.10110	5.5
135.04399	3.4
135.08049	1.2
135.11716	1.1
137.05975	0.8
137.09599	16.3
141.00763	0.6
141.01808	14.8
141.06973	3.0
142.02254	1.1
143.08545	4.9
145.02856	2.3
145.06451	2.1
145.10132	5.3
147.08037	6.3
147.11662	15.3
149.09515	0.9
155.08574	1.2
157.10214	1.0
159.04341	1.4
159.08083	1.1
160.05234	1.1
161.02347	3.1
161.05977	3.8
161.09610	2.1
161.13239	6.1
163.03899	11.0
165.09103	20.3
167.05537	1.5
167.08528	0.8
169.01308	48.0
169.06493	3.3
170.01651	2.5
171.08026	1.3
171.11691	13.2
173.02332	5.8
173.05963	2.0
185.09761	0.8
187.07544	3.8
188.03445	2.3
189.05412	1.6
189.09084	2.8
189.12715	6.0
195.08118	1.6
197.05957	2.0
200.04704	3.0
201.05467	1.3
206.04501	1.7
207.11980	1.3
207.13800	11.1
213.09097	1.9
215.06979	16.7
221.11690	1.6
225.14890	2.1
232.07314	1.6
241.08577	1.2
251.13933	0.8
259.09644	26.4
260.09973	2.7
276.09967	1.5
281.17429	3.8
335.20020	1.1
353.11313	3.3
353.21063	1.8
359.02884	2.7
363.20340	0.8
399.11594	1.1
427.24734	1.1
445.11966	1.0
445.19705	1.6
445.25867	31.5
446.26245	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.0
53.03946	5.8
55.01870	3.6
55.05505	8.4
56.96576	0.5
57.03431	2.2
57.07087	0.6
58.90652	0.4
65.03931	2.2
67.05499	26.8
69.03425	5.8
69.07064	6.9
70.06587	0.5
70.99603	1.4
71.01360	0.5
71.04993	3.0
73.02943	0.8
73.04752	0.6
73.06551	0.9
77.30066	0.5
78.04706	0.6
79.01824	0.5
79.05486	35.7
80.05846	0.6
81.03410	100.0
81.07046	19.0
82.03748	0.8
83.04965	8.7
83.08601	4.0
85.02888	1.9
85.06544	0.9
87.04464	0.5
89.03899	0.8
91.05456	40.4
92.05796	0.9
93.07034	26.5
95.01324	4.3
95.04959	13.1
95.07995	0.8
95.08600	14.2
97.02888	4.4
97.06519	20.1
97.10187	1.7
98.06844	0.6
99.04480	0.8
103.05459	1.7
105.07021	18.5
105.07713	1.1
107.04928	4.7
107.08579	6.8
109.02853	1.2
109.06506	2.6
109.10158	4.3
111.04405	0.9
111.08109	0.7
114.07291	0.6
115.05430	1.5
117.03383	0.6
117.06995	6.3
119.07718	1.2
119.08573	23.1
121.06504	6.0
121.10134	1.9
123.00780	30.8
123.08069	4.3
124.01144	1.1
125.02336	4.7
125.06039	0.5
125.09628	1.2
127.03901	1.8
127.07579	1.3
128.06209	1.7
129.06993	8.2
130.07748	0.5
131.08578	3.4
133.02835	0.5
133.10124	4.9
135.04407	1.7
135.08081	0.7
135.11694	1.6
137.09601	15.0
141.01822	9.3
141.06944	2.3
142.07790	0.7
143.07036	0.6
143.08577	3.5
145.02814	1.1
145.06519	1.4
145.10118	4.5
147.04404	0.6
147.08014	5.6
147.11670	12.2
149.09569	0.9
153.12755	1.0
155.08485	0.9
157.06502	1.0
157.10152	0.6
159.04369	1.0
159.08064	1.2
159.11623	0.9
160.05212	1.2
161.02414	2.5
161.06020	2.3
161.09650	2.0
161.13245	4.1
163.03900	9.7
163.11188	1.9
165.07039	0.8
165.09103	17.5
167.05598	1.4
167.08591	1.4
169.01308	34.0
169.06485	2.6
169.10056	0.7
170.01689	1.2
171.08101	0.8
171.11697	10.4
173.02335	3.9
173.04526	1.0
173.05951	0.7
173.09694	0.7
175.03862	0.6
179.14328	0.6
180.09320	0.6
181.12323	0.7
185.05974	0.8
185.09641	0.9
185.13403	0.6
187.07544	1.5
188.03470	1.1
189.05402	0.7
189.09172	2.4
189.11116	0.8
189.12712	3.9
191.10652	0.9
195.07996	1.0
197.06001	1.2
200.04686	1.9
201.05443	0.8
206.04480	1.5
207.13762	8.6
209.11716	1.5
213.09062	1.4
215.07007	11.0
216.07388	0.8
217.08565	0.8
221.11777	0.9
225.04317	0.7
225.14880	1.5
227.12787	1.6
231.10298	0.7
232.07275	1.1
241.08606	1.1
259.09653	20.6
260.10007	2.0
276.09778	0.7
281.17435	3.2
283.15369	0.6
335.20303	0.7
353.11377	2.7
353.21088	2.1
359.02777	2.1
360.02719	0.5
371.22040	0.8
381.10611	0.7
399.11588	1.6
445.20740	1.6
445.25830	24.2
446.26300	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01873	1.7
55.05497	0.4
57.03410	1.4
65.03922	0.4
67.05492	0.7
68.99789	0.6
69.03399	0.9
69.07047	0.5
69.99029	0.3
70.35276	1.1
71.38962	0.3
76.23310	0.3
77.96500	0.3
79.05460	0.8
81.03397	1.5
81.07020	0.5
82.12891	0.3
85.02888	1.5
91.05428	0.5
95.01298	1.2
97.02876	0.6
97.06526	2.4
99.04417	0.6
105.03304	0.4
109.02822	0.6
117.03336	0.5
121.02868	0.4
123.00780	6.2
125.02313	1.1
127.03882	1.4
133.02873	0.4
134.03568	0.3
135.04381	0.7
137.02332	0.5
141.01817	4.0
141.06976	0.6
145.02773	0.5
147.04352	0.4
149.02327	0.6
149.05945	2.7
151.03891	4.4
159.04341	0.5
161.02295	0.8
161.05989	1.0
163.03918	2.3
165.01828	14.0
166.02153	0.3
167.03371	0.9
169.01311	6.6
169.06422	0.9
172.99458	0.3
173.02321	0.6
173.05908	0.4
175.03891	1.4
177.01781	0.5
179.03346	1.8
183.02872	7.2
187.03816	0.4
187.07507	0.5
189.01785	1.0
189.09019	0.6
191.03398	1.0
193.04990	0.6
195.02892	0.8
197.00789	0.3
197.05934	0.4
199.03815	0.4
200.04607	0.8
200.24606	0.3
205.04953	0.6
207.02890	1.0
215.03360	0.7
215.07019	2.8
217.04889	0.5
223.02394	0.3
229.04941	0.8
233.04427	0.9
241.08476	0.6
243.02763	0.4
243.06476	1.3
251.05571	0.4
253.04979	0.6
254.05711	0.6
257.04575	0.5
258.05243	1.6
259.05856	0.5
259.09622	4.5
261.03909	0.6
266.05737	1.4
267.06415	0.5
268.07178	1.6
269.04044	0.4
269.07874	0.7
270.05212	7.1
271.05933	1.9
281.04449	0.5
282.05148	4.7
283.05750	0.4
284.06769	4.9
285.07303	0.5
286.04745	4.1
286.07977	0.7
292.07291	0.4
294.05136	4.0
295.05945	0.8
296.03406	0.5
296.06766	9.8
297.07538	2.5
298.04697	25.5
299.05298	1.6
300.06128	2.4
301.07050	13.6
302.07343	0.4
306.05264	0.4
309.04205	0.5
309.07544	3.4
310.04669	7.7
310.08337	6.2
311.05386	1.3
311.09039	9.0
312.02817	0.5
312.06207	8.7
312.09735	0.5
313.07031	100.0
314.07629	8.6
320.06674	2.2
322.04675	3.8
322.08405	0.6
323.05353	0.9
324.02466	0.7
324.06244	10.1
325.07034	16.5
325.10519	0.9
326.04086	0.8
326.07684	1.5
327.05042	0.7
327.08566	13.9
328.05673	6.2
328.08786	0.5
329.06323	0.5
335.09106	1.3
337.02942	0.7
337.07025	14.2
338.04099	1.4
338.07761	10.8
339.04944	1.6
339.08582	21.0
340.05426	0.5
340.09006	0.9
341.06519	6.9
341.10260	1.4
342.07159	2.1
343.08072	24.5
344.08319	1.1
348.06326	2.3
352.05890	1.5
352.09470	0.4
353.06378	5.7
353.10190	15.5
353.17075	0.6
354.10675	0.7
355.08139	3.5
359.02896	0.6
363.08560	5.2
365.06467	5.3
365.10330	0.8
366.07248	2.7
367.03458	0.6
367.08063	11.6
368.08932	0.4
371.07657	1.1
376.05646	0.9
381.09650	30.7
382.09967	1.8
383.07605	7.6
391.08136	3.2
394.06894	3.3
399.10715	6.3
401.08823	0.5
409.09137	49.7
410.09509	2.8
427.10208	46.8
428.10510	3.1
445.11298	4.4
445.20392	5.0
464.53311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1123
Annotation	Granaticin
Peak:m/z	Relative Intensity
53.03926	0.5
55.01851	1.0
55.05500	0.4
57.03408	1.3
65.03922	0.5
67.05486	0.7
68.99798	0.8
69.03393	0.9
69.07030	0.8
69.49971	1.6
69.50400	1.1
71.04983	0.7
75.04465	0.5
79.01817	0.3
79.05447	1.3
81.03400	1.7
81.07035	0.7
83.04990	0.3
85.02879	0.7
86.09667	0.4
89.03889	0.5
90.48971	0.3
91.05396	0.6
91.05832	0.5
93.03381	0.5
93.07016	0.5
95.01310	1.5
95.04939	0.7
95.08524	0.3
97.02857	0.5
97.06515	7.7
99.04433	0.5
104.07629	0.3
105.03328	0.4
105.06963	0.4
107.04916	0.9
109.02847	0.8
109.10094	0.8
111.04382	0.5
117.03368	0.7
117.06982	0.5
119.04848	0.3
121.02840	1.2
123.00774	11.3
123.04243	0.4
125.02330	0.7
125.05957	0.4
127.03867	1.0
129.07024	0.3
131.04933	0.4
131.08470	0.3
135.04364	1.2
137.02306	0.7
137.09576	1.0
141.00777	0.5
141.01805	5.1
141.06918	0.3
143.04951	0.3
145.02774	0.5
149.02306	0.9
149.05966	3.4
151.03886	6.1
159.04422	0.4
161.02313	1.2
161.05962	0.5
163.03882	4.6
165.01813	13.6
165.09093	0.8
167.03398	2.0
167.05516	0.4
169.01300	12.1
169.06421	0.7
173.02368	1.4
175.03838	1.8
177.01802	0.8
177.05309	0.4
178.99774	0.3
179.03368	2.3
181.01245	0.9
183.02870	8.2
185.05865	0.3
187.07491	0.8
189.01834	1.6
191.03415	0.4
193.01357	0.3
195.02867	1.3
197.06000	0.8
200.04700	0.6
201.05383	0.3
205.04930	0.4
207.02789	2.0
213.08937	0.4
215.06973	4.2
217.04845	0.6
223.02426	0.4
227.07147	0.4
229.04926	0.4
232.07411	0.6
233.04443	0.5
235.02409	1.6
237.05367	0.4
241.08652	0.4
243.06464	1.9
245.08118	0.6
253.05002	0.4
254.05698	0.8
256.07333	0.4
257.04395	0.5
258.05176	1.7
259.06052	0.8
259.09619	7.9
266.05768	2.4
267.06522	0.4
268.07242	1.3
269.08005	0.5
270.05148	5.8
271.05951	2.5
272.06619	0.7
282.05167	6.1
282.08310	0.4
283.05768	0.4
284.03482	0.4
284.06741	5.6
285.07471	1.1
286.04688	4.7
286.07861	0.7
292.07266	0.5
294.05255	4.9
295.05881	1.1
296.06735	6.9
297.07516	3.5
298.04672	26.0
299.05243	2.3
300.06207	6.0
301.07016	9.4
301.10452	0.5
309.04092	0.3
309.07489	4.8
310.04636	8.5
310.08310	6.6
311.05380	0.8
311.09030	6.5
311.12039	0.2
312.02579	2.1
312.06165	14.0
313.07016	100.0
314.04129	1.9
314.07559	9.0
320.06799	1.7
322.04678	4.6
323.05328	0.8
324.02710	0.3
324.06244	7.3
325.07040	15.0
325.10522	0.8
326.04163	1.7
326.07672	1.2
327.04950	2.8
327.08539	20.9
328.05710	12.1
329.06497	8.0
330.06949	0.4
335.09171	0.8
337.07019	17.7
338.04050	1.8
338.07736	9.3
339.04831	2.7
339.08554	14.8
340.05670	2.8
340.09113	0.7
341.06494	8.7
341.10168	0.8
342.07172	1.8
343.08075	45.6
344.08475	1.9
348.06195	1.6
350.04251	0.8
350.08047	0.3
352.05609	0.8
353.06378	5.0
353.10168	18.6
354.06952	0.9
354.10632	0.9
355.08084	11.1
356.08594	0.6
359.02701	0.8
363.08572	3.8
365.06412	5.2
365.10245	0.5
366.07217	2.2
367.08075	6.6
369.06107	1.1
371.07440	0.7
373.09222	0.5
376.05588	0.7
381.09641	24.3
382.10016	0.9
383.07556	43.8
384.07870	1.7
391.08118	2.7
394.06735	1.6
399.10678	6.1
400.10959	0.4
401.08655	3.3
409.09128	35.7
410.09442	1.5
427.10196	57.9
428.10626	2.4
445.11224	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	27.2
58.99577	6.2
61.01134	0.7
67.05496	1.4
67.64702	0.6
68.99772	1.5
69.03397	1.1
69.07063	3.5
69.51287	0.7
70.37990	1.1
70.38385	1.7
73.02899	3.3
73.04734	1.0
75.02697	1.4
77.00618	1.1
79.05488	3.2
81.03392	2.9
83.04981	1.6
85.01122	6.7
85.02871	0.7
86.99034	4.6
87.00819	10.4
89.03909	0.8
91.05396	1.0
91.05842	1.0
95.01318	3.3
95.04966	4.5
95.90951	0.8
97.06519	14.4
103.02142	6.9
104.99387	1.1
105.00082	16.4
105.06997	1.1
107.04964	0.9
109.01085	0.7
109.02866	6.0
111.04422	1.6
117.03352	1.7
119.04887	1.0
120.99518	0.9
121.06414	0.7
123.00780	24.7
123.04414	3.8
124.05210	4.6
125.00591	1.2
125.02328	1.8
125.05949	3.0
127.02127	1.6
127.03888	0.8
129.01854	0.7
131.01601	10.7
131.04901	1.5
134.03598	1.2
135.04413	2.1
135.08034	0.8
137.02348	1.7
138.03040	0.7
141.01787	7.6
141.05406	0.7
145.02812	2.7
145.06531	0.8
149.02666	10.5
151.03865	1.1
153.05424	2.3
155.01563	2.2
157.03239	0.8
159.01108	4.1
159.04369	0.9
161.02324	1.1
161.05971	1.6
163.03891	13.4
167.03389	19.5
167.05478	1.1
167.08589	0.7
169.01309	32.6
169.06346	1.0
173.02336	3.7
173.06021	0.7
175.02388	1.1
175.03815	1.1
177.02142	10.7
179.01602	0.8
181.04929	12.4
182.05659	2.2
183.01099	4.8
183.06482	4.6
185.02573	1.6
187.07605	0.6
189.05411	1.9
189.09084	1.4
190.06125	0.8
191.00107	0.9
192.04169	1.4
193.04881	0.7
196.99059	3.1
197.05948	1.0
200.04584	1.0
206.05690	0.9
207.01138	1.6
207.06525	1.8
209.04404	4.1
211.00568	2.1
212.01358	43.6
212.03006	1.6
213.02136	18.4
213.09077	0.7
215.07028	7.3
219.06438	0.9
225.02034	0.7
227.03696	31.5
228.04138	0.9
237.02180	4.5
237.07538	10.2
239.03719	1.8
241.08562	2.8
258.08902	1.4
259.06830	1.0
259.09619	21.3
269.04752	100.0
270.05023	2.8
276.10065	1.0
313.07123	1.2
353.17435	0.8
359.02911	1.7
381.09869	1.2
427.10394	0.8
440.20938	0.7
450.94818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.2
55.05498	4.4
57.03432	5.9
67.05495	5.4
69.03423	13.2
69.07056	4.0
70.06588	9.8
71.40869	4.4
71.41202	4.0
72.08133	7.6
73.02894	6.3
73.04765	3.3
79.05471	6.8
81.07037	15.6
83.04983	3.6
84.04488	4.4
84.08121	7.2
85.02897	20.4
85.79682	2.4
86.09694	28.6
91.05442	11.4
93.07037	10.9
95.01303	3.2
95.08610	4.7
97.02894	8.3
97.06528	15.2
98.97542	3.9
101.02358	6.2
105.07014	25.4
107.04986	3.1
107.08595	10.9
109.02871	3.8
109.10129	5.6
115.05418	6.0
117.07003	3.9
119.03487	3.0
119.08567	6.7
121.06474	3.4
121.10175	5.5
123.00775	18.1
123.11652	4.4
127.03912	8.7
128.06201	5.7
129.06990	9.7
131.08537	22.6
133.06476	3.0
133.10104	41.3
141.01787	5.6
141.07024	8.7
142.07773	15.9
143.08572	19.3
145.04948	4.6
145.06483	3.6
145.10120	10.8
147.04297	2.9
148.31874	3.0
149.09596	5.2
149.13304	2.9
150.25410	3.1
151.11154	34.0
151.30981	2.8
153.06981	9.4
155.08557	20.6
157.10124	30.7
159.08040	5.3
159.11684	6.0
161.06027	3.1
163.03862	6.4
167.05547	6.2
167.08540	3.9
168.09309	30.1
169.01335	22.6
171.07976	2.8
173.02290	5.4
173.09517	5.4
173.13222	7.6
178.07796	2.8
181.10115	8.8
183.11671	100.0
185.13121	6.2
187.07503	5.7
187.11206	3.6
193.10150	7.0
201.08783	3.3
201.12727	27.1
203.10721	7.9
211.11194	21.9
215.07008	12.7
229.12201	51.9
246.09395	3.4
247.13278	23.0
259.09601	11.8
265.14307	81.2
265.17062	5.5
359.02881	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06799	0.9
51.40299	0.8
53.03936	9.1
55.01864	12.6
57.03423	6.2
60.04539	1.2
61.02926	5.7
68.99768	5.3
69.03421	28.8
71.00047	0.9
71.00386	2.1
71.04990	6.4
73.02901	10.3
79.05467	2.2
81.03409	35.0
82.03748	0.9
85.02895	88.5
86.03252	1.1
87.00818	32.0
91.03938	3.0
91.05447	4.6
93.07037	7.1
95.04957	1.2
97.02877	40.5
97.06517	2.6
99.03849	0.6
99.04436	15.3
103.03941	1.7
103.05449	9.6
105.01857	30.9
105.03383	1.6
105.07027	1.9
107.04958	4.2
108.04482	6.9
109.02868	32.1
110.03212	1.3
117.01833	5.2
119.04916	1.3
121.06491	31.0
123.00773	6.9
125.02319	1.6
126.05486	4.5
127.03900	81.6
128.04271	1.5
129.01817	3.7
131.04944	2.6
137.02312	6.6
138.03093	27.4
140.83281	0.9
141.01793	1.9
144.06572	1.0
145.04942	47.2
147.02881	4.8
149.05960	26.1
151.03883	14.9
159.02875	30.6
159.04187	1.6
161.05984	4.1
163.03870	1.2
165.01770	1.1
167.07097	0.9
169.01291	6.8
177.03928	1.6
179.07010	100.0
180.07341	1.3
182.24835	0.9
183.02750	1.0
185.10962	0.8
186.59529	1.0
189.03928	2.7
203.06993	1.4
207.02887	1.4
213.03908	3.0
215.06998	2.4
221.07982	1.4
230.06633	2.7
231.04959	13.5
235.07234	0.9
243.90669	0.9
245.08165	1.2
248.07635	3.5
249.06068	1.5
259.07068	1.0
259.09604	5.6
269.08054	1.2
313.06955	5.0
314.07477	0.9
343.07837	1.6
381.09589	1.4
409.09293	2.9
427.10089	1.9
453.46597	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
55.05497	0.7
60.05639	6.8
60.34266	0.6
61.02922	0.9
61.06790	0.6
61.47012	0.8
62.94146	0.5
67.05486	0.9
69.03414	2.3
69.07061	10.2
70.06582	24.1
71.04987	1.2
71.74432	1.1
72.04538	0.7
72.08149	3.4
73.02850	0.6
77.99023	0.7
79.05478	1.1
81.03400	1.1
84.04490	2.0
84.08128	1.5
85.02882	4.5
86.09694	100.0
87.10009	0.7
88.03973	0.8
91.05485	1.2
93.07021	1.2
95.04961	2.0
97.02869	1.9
102.05534	1.9
103.05493	0.7
105.07018	3.6
107.08591	1.9
108.08920	1.2
109.10133	0.7
112.08734	3.5
114.05513	0.6
114.10300	0.7
115.05450	0.8
115.08670	3.5
116.07075	8.8
116.46203	0.7
121.10096	0.7
122.02687	1.7
128.10706	16.2
128.11703	1.2
129.06993	0.9
130.04987	1.0
130.09770	2.4
130.79051	0.6
131.08554	1.6
133.06499	2.6
133.09798	0.7
136.07547	0.7
137.05988	0.8
137.09605	0.7
147.04453	0.8
149.09599	6.4
150.09923	4.1
155.08556	1.4
156.10193	1.3
156.11299	7.9
158.09245	7.4
161.05962	5.2
171.11668	0.8
174.73381	0.6
175.11899	18.6
183.07924	0.7
183.11697	1.5
193.08601	1.7
199.18187	0.7
200.11484	0.8
211.07675	0.7
228.11040	0.8
229.08627	1.1
229.12134	1.1
229.15512	1.0
245.11685	1.0
246.12137	1.5
251.06953	2.1
264.13129	0.8
265.14581	0.6
269.18518	1.1
271.17630	8.5
291.97995	0.7
326.13406	1.6
443.18726	3.0
443.29727	90.7
444.29953	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	14.6
55.01876	38.2
55.05509	50.1
56.96568	8.5
57.03421	29.4
57.07075	6.9
59.75732	6.3
61.02913	18.3
66.92724	8.3
66.93556	7.6
67.05500	63.0
68.99783	8.3
69.03417	54.0
69.07060	65.8
71.04969	9.8
71.74803	11.0
73.02898	8.6
79.05492	75.6
81.03410	63.9
81.07044	74.0
83.04971	20.2
83.08614	18.5
83.19775	7.3
85.02892	54.8
85.06520	16.0
87.00825	13.5
89.03908	9.0
91.05464	69.5
93.07036	100.0
95.04948	53.8
95.08598	68.7
97.02879	41.8
97.06527	44.2
97.10151	15.6
98.97584	17.4
99.04436	19.0
99.08091	33.7
103.03918	20.3
105.01878	10.7
105.07005	56.7
107.04931	18.3
107.08587	54.0
109.02866	24.8
109.06492	12.9
109.10155	26.0
111.08073	43.0
111.11700	28.4
116.98602	9.8
117.06996	21.8
118.10463	6.2
119.08592	60.4
121.06557	8.4
121.10151	35.3
123.00748	15.6
123.04396	14.3
123.08045	13.9
123.11674	13.3
125.09590	6.5
127.03893	25.4
129.06996	18.5
131.08539	31.5
132.95833	9.9
133.10107	39.3
134.99648	8.7
135.04393	19.7
135.07996	15.4
135.11674	21.3
137.09592	11.1
143.08556	19.9
145.02838	10.7
145.10117	29.5
147.08008	15.1
147.11667	49.0
149.06158	7.5
149.09641	6.9
149.13269	9.2
153.58739	7.3
157.10124	9.5
159.11705	17.8
161.13249	22.9
163.03911	72.2
163.07588	9.1
163.14790	27.6
165.09062	17.4
169.10060	7.8
171.11676	22.4
173.13258	11.8
174.96820	13.2
175.14790	16.4
177.00690	9.4
177.16362	21.0
179.14346	7.5
187.14900	9.6
189.03969	7.2
189.12767	8.7
193.15793	7.0
201.16406	11.8
207.13794	32.3
219.01694	9.7
237.02837	22.4
255.00079	9.5
257.08099	9.8
259.09561	47.9
261.18497	9.9
267.17160	9.4
279.19852	10.7
281.17450	31.1
285.18262	14.5
303.19513	8.5
369.12210	17.3
407.05615	7.6
411.13110	17.7
425.21631	20.1
443.23087	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49599	0.4
67.05486	0.5
69.03405	0.5
79.05482	0.6
81.03391	0.9
81.07047	0.5
83.08615	0.5
85.02879	1.5
86.09667	0.4
91.05469	0.6
95.08569	0.5
97.06514	0.7
98.20681	1.0
109.02828	0.9
127.03886	0.5
133.10130	0.8
133.12198	0.4
139.20580	0.4
162.08475	0.4
165.09068	1.1
185.04233	0.7
195.13565	1.8
205.12762	0.4
223.12938	0.9
226.08101	0.5
227.05244	0.8
237.14569	0.7
281.17453	0.6
325.07028	0.4
340.02679	0.5
357.18771	10.8
358.19101	0.7
375.18762	0.6
381.18878	0.8
399.19839	42.7
400.20297	3.8
425.08530	0.5
443.18829	100.0
444.19131	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.7
55.05497	0.4
56.39237	0.3
57.03400	1.2
61.02909	0.7
67.05477	0.8
68.99792	0.6
69.03096	0.3
69.03419	5.0
69.70015	3.2
71.04965	0.4
73.02908	3.4
74.03214	0.4
79.05454	1.6
80.36626	0.4
81.03387	1.7
81.07019	1.1
83.04961	0.5
85.02446	0.6
85.02894	5.8
85.06538	0.4
86.03207	0.8
86.09673	0.4
87.04446	0.8
91.05449	1.6
93.07005	1.4
95.04930	0.7
97.02425	0.3
97.02888	3.3
97.06533	0.7
99.04433	0.5
103.03883	0.5
103.05444	0.6
105.06998	1.2
107.04919	0.8
107.08553	0.5
108.99753	0.4
109.02840	0.9
113.77516	0.4
115.03876	1.0
116.04176	0.4
119.08559	0.7
121.02783	0.5
125.02287	0.5
127.03918	2.1
127.04699	0.4
129.06956	0.6
131.08537	0.5
133.04935	0.9
134.03606	0.6
135.04417	0.4
137.08243	0.4
141.01788	1.7
145.04951	2.0
146.05199	0.6
147.11650	1.0
149.05922	2.9
151.03882	5.2
151.05008	0.7
163.05995	0.7
165.01804	14.0
167.03345	0.5
169.01381	0.6
171.11568	0.6
175.03903	1.2
177.01724	0.4
178.99719	1.4
179.03358	0.9
183.02875	8.3
189.01779	0.6
189.12685	0.6
193.04988	0.8
197.00789	2.8
201.78085	0.4
203.03348	1.1
207.02808	0.6
221.04417	1.8
229.04945	0.9
243.06480	1.0
244.22253	0.4
257.04199	0.6
258.05194	2.7
259.02484	0.6
259.05841	0.9
259.98724	0.4
270.05176	6.6
271.05847	0.9
272.06631	0.6
277.03412	1.0
280.07303	0.4
281.17435	1.3
282.05157	3.2
284.03186	1.5
284.06702	1.4
285.07510	0.7
286.04675	7.7
294.05078	1.0
296.06812	0.4
297.07477	1.2
298.04688	30.8
298.08032	1.4
299.05078	1.5
300.06207	3.4
301.07022	15.2
308.06778	2.2
309.07581	0.7
310.04703	4.6
310.08051	0.6
311.05368	0.6
312.02582	4.2
312.06241	4.8
313.07016	100.0
314.04031	1.0
314.07465	6.1
322.04752	0.6
324.06256	0.6
325.07034	8.7
326.04114	3.0
326.07819	2.7
327.04898	14.1
327.08627	6.9
328.05685	4.0
329.06534	3.3
336.06119	4.0
337.07001	3.4
338.04111	1.7
339.04858	1.2
339.08701	0.9
340.05682	1.8
341.06482	17.4
341.10254	4.3
342.07089	0.5
343.08075	10.0
345.05966	1.2
346.04785	0.4
351.05301	0.4
351.08597	8.7
353.06503	4.4
354.07211	0.7
355.08109	3.6
357.05954	1.4
364.05750	1.3
365.06525	1.0
369.05890	4.4
369.09711	4.3
371.07333	0.8
379.08005	3.8
382.06735	0.7
383.07578	5.5
387.07068	1.1
392.05063	1.0
397.09219	2.9
401.08633	3.8
407.07516	5.0
410.06284	4.7
415.10458	0.5
425.08624	93.3
426.08896	5.5
443.09659	18.1
443.15848	0.9
443.25629	0.8
444.10126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69449	2.9
50.83669	2.2
51.15480	2.6
53.03938	16.4
55.01857	8.3
55.05490	4.5
57.03431	6.2
61.02876	3.0
64.60998	2.5
65.03918	4.9
67.05488	14.1
68.99777	14.1
69.03421	47.4
69.94376	13.8
70.06568	10.4
71.01321	4.5
71.04974	9.8
72.08150	13.6
73.02901	4.0
79.05482	9.3
80.06589	2.6
81.03407	100.0
81.07036	9.9
82.39833	3.1
83.04954	5.4
85.02898	32.4
86.09711	17.3
87.00832	13.0
87.04475	3.3
91.05460	8.5
93.07034	6.8
95.04956	13.7
95.08607	5.3
97.02305	4.5
97.02882	49.5
97.06505	3.3
99.04458	17.9
103.03910	2.9
103.05426	2.9
105.01874	3.2
105.07015	5.6
107.04928	6.5
107.08564	4.2
109.02157	5.0
109.02868	80.6
109.10120	10.1
110.03666	3.0
111.04420	10.6
113.02367	3.4
115.05441	3.0
117.07012	3.6
119.04897	2.8
119.08553	4.1
121.02802	3.2
123.04399	14.1
125.02338	9.6
127.03904	79.6
135.04434	5.4
137.05974	4.5
137.09608	33.2
138.41205	2.8
139.03886	8.3
141.05428	3.1
143.08470	2.9
145.04922	4.4
145.10016	3.2
147.04398	3.9
147.08025	4.1
151.03925	13.7
161.05948	4.9
163.03914	12.2
165.05466	4.4
165.09096	16.8
169.04958	3.6
171.02872	8.5
175.03865	3.3
185.16432	3.7
189.05423	6.6
193.04964	2.7
195.02950	4.8
195.06548	4.0
207.06500	4.6
213.03893	15.8
217.04938	6.6
224.70680	2.9
225.07579	3.1
231.04945	4.7
231.17223	3.0
235.05885	5.9
251.07025	3.1
253.06960	4.1
313.07004	3.1
321.05978	3.1
339.07114	5.9
351.12750	2.7
357.07678	3.3
425.07736	12.3
432.76495	3.0
443.08194	12.2
461.67740	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42258	0.5
55.05498	1.2
56.96553	0.6
57.07073	0.5
67.05482	1.5
69.07040	1.2
71.08615	5.8
71.74482	0.6
72.08134	1.0
79.05469	1.0
81.07052	3.3
83.08608	1.0
84.08125	0.9
86.06063	3.1
91.05455	1.6
93.07024	1.2
95.04929	0.6
95.08564	1.4
96.08096	3.0
98.06004	0.8
98.09666	2.2
99.08064	2.2
105.06995	0.9
107.08548	1.0
108.08105	1.5
109.10084	0.7
116.10713	13.6
119.08575	0.9
122.09641	1.3
123.11626	0.6
124.07558	1.0
129.06970	0.8
138.73820	0.5
140.10609	0.7
141.04262	0.5
143.10649	1.5
147.11624	1.9
150.12793	0.7
154.15883	2.8
166.15938	2.3
168.17505	0.7
175.11234	0.8
178.15886	1.8
196.16954	7.5
214.17992	100.0
215.18361	1.9
258.14450	0.5
258.17020	1.5
297.60901	0.5
299.48196	0.5
344.24216	2.4
424.30792	1.0
442.31656	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.0
55.01864	6.8
55.05495	1.7
57.03429	12.9
57.07069	1.0
59.58631	0.9
61.02917	11.2
65.03909	1.2
65.68807	1.2
67.05482	4.5
68.99754	1.0
69.03421	30.6
69.07046	1.0
69.63651	8.9
71.01353	2.5
71.04969	2.3
71.08609	1.4
73.02907	51.6
76.81792	1.0
79.05475	5.8
81.03418	8.6
81.07037	4.1
84.08092	1.3
85.02894	80.1
85.06529	1.0
87.04453	4.6
91.03932	4.0
91.05445	5.0
93.07041	5.7
95.04965	2.0
97.02879	44.1
97.06531	1.2
99.04409	4.1
103.03938	1.7
105.06997	3.6
109.02849	7.6
111.04328	1.1
115.03922	18.5
117.06954	1.1
119.08558	1.0
121.10124	1.2
127.03900	27.6
129.06999	1.6
133.04950	21.4
140.21123	1.1
141.01735	1.3
145.04936	41.5
147.11685	2.3
149.05923	3.4
150.07579	1.6
151.03864	5.5
161.13234	1.2
163.06003	13.0
165.01817	13.4
167.03223	1.0
169.01318	1.1
171.11690	2.6
178.99706	1.2
183.02870	6.7
193.04890	1.7
197.00804	3.3
203.03384	1.5
207.02869	1.3
207.13841	1.5
211.62141	0.9
221.04436	1.5
223.05937	3.9
241.07030	4.8
258.05136	3.6
259.08136	4.5
270.05124	5.3
271.05807	1.9
281.17532	3.4
282.05203	3.7
284.03302	2.2
284.06732	3.5
286.04568	7.0
293.19519	1.7
298.04712	30.5
298.08084	1.1
300.06134	5.0
301.07013	16.2
308.06836	1.9
310.04733	5.2
311.05255	1.6
312.02563	5.0
312.06302	5.6
313.07025	98.7
314.03992	1.4
314.07755	1.9
325.06961	8.7
326.04108	3.7
326.07745	2.6
327.04910	12.8
327.08572	6.4
328.05768	2.9
329.06534	3.1
336.06177	4.6
337.06927	3.7
339.04962	1.4
340.05646	2.1
341.06464	17.8
341.10193	5.4
343.07983	10.5
351.08533	8.2
353.06485	3.6
355.08090	4.0
364.05759	1.1
369.05789	5.0
369.09967	5.1
379.07977	3.6
381.05859	1.2
383.07568	4.7
395.32773	1.2
397.08954	2.5
401.08597	3.4
407.07495	4.5
408.18411	1.2
410.06265	3.1
425.08624	100.0
442.24991	7.1
443.09650	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.0
55.01864	6.8
55.05495	1.7
57.03429	12.9
57.07069	1.0
59.58631	0.9
61.02917	11.2
65.03909	1.2
65.68807	1.2
67.05482	4.5
68.99754	1.0
69.03421	30.6
69.07046	1.0
69.63651	8.9
71.01353	2.5
71.04969	2.3
71.08609	1.4
73.02907	51.6
76.81792	1.0
79.05475	5.8
81.03418	8.6
81.07037	4.1
84.08092	1.3
85.02894	80.1
85.06529	1.0
87.04453	4.6
91.03932	4.0
91.05445	5.0
93.07041	5.7
95.04965	2.0
97.02879	44.1
97.06531	1.2
99.04409	4.1
103.03938	1.7
105.06997	3.6
109.02849	7.6
111.04328	1.1
115.03922	18.5
117.06954	1.1
119.08558	1.0
121.10124	1.2
127.03900	27.6
129.06999	1.6
133.04950	21.4
140.21123	1.1
141.01735	1.3
145.04936	41.5
147.11685	2.3
149.05923	3.4
150.07579	1.6
151.03864	5.5
161.13234	1.2
163.06003	13.0
165.01817	13.4
167.03223	1.0
169.01318	1.1
171.11690	2.6
178.99706	1.2
183.02870	6.7
193.04890	1.7
197.00804	3.3
203.03384	1.5
207.02869	1.3
207.13841	1.5
211.62141	0.9
221.04436	1.5
223.05937	3.9
241.07030	4.8
258.05136	3.6
259.08136	4.5
270.05124	5.3
271.05807	1.9
281.17532	3.4
282.05203	3.7
284.03302	2.2
284.06732	3.5
286.04568	7.0
293.19519	1.7
298.04712	30.5
298.08084	1.1
300.06134	5.0
301.07013	16.2
308.06836	1.9
310.04733	5.2
311.05255	1.6
312.02563	5.0
312.06302	5.6
313.07025	98.7
314.03992	1.4
314.07755	1.9
325.06961	8.7
326.04108	3.7
326.07745	2.6
327.04910	12.8
327.08572	6.4
328.05768	2.9
329.06534	3.1
336.06177	4.6
337.06927	3.7
339.04962	1.4
340.05646	2.1
341.06464	17.8
341.10193	5.4
343.07983	10.5
351.08533	8.2
353.06485	3.6
355.08090	4.0
364.05759	1.1
369.05789	5.0
369.09967	5.1
379.07977	3.6
381.05859	1.2
383.07568	4.7
395.32773	1.2
397.08954	2.5
401.08597	3.4
407.07495	4.5
408.18411	1.2
410.06265	3.1
425.08624	100.0
442.24991	7.1
443.09650	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
55.05509	0.9
57.03426	1.7
61.02906	1.2
62.62772	0.9
69.03432	6.3
70.90127	2.4
72.08111	1.1
79.05491	2.0
81.03413	2.2
81.07044	1.9
85.02894	12.9
85.16404	0.9
86.09707	1.0
86.67101	0.9
91.05478	6.7
93.07025	10.8
95.04929	1.6
97.02895	3.4
99.04433	1.3
103.05435	1.0
105.07028	6.8
107.08577	42.6
109.02896	1.6
109.06473	1.2
115.05478	2.1
116.06214	1.3
117.06992	2.4
119.08542	2.5
121.06496	4.0
121.10130	10.4
127.03911	2.6
128.06198	2.0
129.06992	5.8
131.08549	10.5
133.06470	1.3
141.06950	2.1
142.07767	6.8
143.08543	9.7
145.04967	3.7
145.06461	2.2
145.10100	4.8
146.07166	1.0
147.08032	1.5
149.09596	100.0
150.09946	3.4
153.06976	1.3
155.08548	4.7
156.09299	5.3
157.06487	2.6
157.10109	17.2
158.07260	1.3
159.08017	2.9
159.11710	3.3
160.08855	1.0
161.05969	1.6
165.07037	1.3
166.07800	3.3
171.08018	2.7
171.11658	16.9
173.09586	6.4
175.07549	3.5
175.11188	1.5
180.08600	1.4
181.10103	7.8
183.11731	0.9
184.08844	3.0
185.09613	4.7
189.05473	1.0
189.12645	0.9
197.09641	1.1
199.11151	25.5
200.36241	0.9
201.12755	1.8
203.10625	8.4
209.09613	2.5
217.12178	7.9
227.10649	13.2
245.11693	28.7
246.12062	1.3
249.68602	1.0
263.12759	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	4.1
56.16457	3.4
56.96557	18.9
59.15345	3.8
67.05495	9.5
69.66303	21.5
69.66706	7.8
79.05484	4.2
81.03374	4.6
81.07038	20.9
84.96040	12.0
93.07058	7.8
95.08619	8.1
97.06569	4.0
98.97578	100.0
105.07014	4.5
107.08542	5.4
110.97594	8.8
112.99146	13.3
116.98607	59.5
118.19098	3.4
118.62100	3.9
128.98607	14.5
131.00169	24.7
131.11783	3.9
133.10123	5.0
134.99625	27.4
146.99625	8.2
149.01231	16.4
158.99629	35.9
161.01190	5.3
162.99190	6.4
170.99687	7.8
173.01161	23.9
174.99339	4.7
175.11220	8.8
177.00690	47.2
189.00697	8.3
191.02219	24.8
201.00708	7.8
219.01701	28.0
237.02831	27.8
253.02283	6.0
287.03699	10.5
289.05450	4.6
303.01074	7.6
355.14331	65.1
373.15308	56.5
396.17096	6.2
397.15103	37.5
415.16284	7.7
434.35669	4.2
441.15366	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	17.5
69.03417	4.8
70.06580	4.8
71.74156	4.8
72.08176	4.4
84.96021	12.2
85.02872	5.3
96.21931	3.8
97.02860	6.0
98.97560	83.9
110.07143	7.7
110.97549	19.1
116.98595	52.1
128.98575	28.3
134.99638	29.0
136.06168	10.5
136.07584	3.7
140.98547	7.0
143.00127	10.4
145.58282	3.3
146.99609	31.6
158.99629	35.2
161.01184	19.7
170.99634	22.6
177.00677	43.8
182.99681	13.2
189.00714	33.8
195.01662	6.2
195.41255	3.8
201.00711	55.6
207.01668	6.2
213.00693	4.8
219.01736	63.5
219.03786	4.5
224.02368	5.0
231.01706	7.2
237.02716	24.4
243.01666	17.7
253.09352	5.7
261.02771	100.0
261.73022	4.5
273.02893	7.8
279.03857	69.3
291.03885	16.5
302.05444	12.3
308.91968	4.0
321.04913	46.0
333.05167	4.6
351.05905	6.7
366.26166	4.0
399.07443	4.1
441.09036	20.6
469.41284	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43542	1.5
56.96539	4.2
61.31998	1.5
70.06573	6.2
70.26472	6.3
76.02206	1.5
84.04496	1.5
84.08129	2.2
85.02903	1.7
86.09679	5.2
91.05471	2.7
98.97570	6.3
106.09580	1.3
110.97585	2.5
114.03672	1.4
116.98598	5.1
119.04887	2.5
128.98566	2.3
134.99677	2.6
136.07573	1.5
146.02661	1.6
146.99657	2.8
163.03763	1.4
170.93356	1.4
170.99525	2.7
175.03976	1.9
177.00713	2.5
207.03201	2.0
207.06400	2.5
213.10158	1.9
219.01668	2.3
224.31624	1.7
235.98582	1.9
237.02832	6.2
241.09656	2.8
242.10052	5.1
243.11179	1.9
244.11656	3.7
259.10587	1.9
260.11029	5.2
284.11023	1.8
286.12769	2.4
302.12109	7.0
304.14072	1.6
309.06927	2.0
318.13989	5.7
321.56067	1.9
327.07419	11.5
363.11658	1.9
364.09683	1.6
405.12921	5.4
406.11285	1.8
423.13968	17.7
424.12469	3.3
441.11426	100.0
442.11740	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33679	1.4
55.05486	3.1
55.08273	1.2
57.03434	3.1
57.06838	1.5
57.07069	17.9
62.06086	23.4
62.73595	1.2
67.05499	6.3
69.07059	3.7
71.08625	14.1
71.74966	1.4
71.75340	1.6
72.08104	1.4
79.05488	1.9
81.07054	6.6
83.08601	3.1
85.10178	7.4
85.13675	1.3
91.05481	1.4
93.06979	2.0
95.08585	9.0
97.10167	1.4
98.98431	6.3
105.06992	1.8
109.10124	5.2
119.08538	1.5
121.67085	1.4
123.11651	2.3
136.43036	1.2
144.82045	1.5
145.10088	1.3
155.01019	6.1
212.62891	1.1
225.22171	2.7
268.26224	10.4
269.26849	1.6
277.13800	1.5
299.25793	100.0
300.26086	5.2
379.22388	4.0
440.28864	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42281	0.9
55.05500	3.0
57.06788	2.0
57.07065	30.3
69.07069	2.0
71.08619	25.8
71.75392	1.7
73.06546	6.8
81.07014	1.6
83.08601	3.0
85.10168	25.5
87.04446	3.0
89.06017	100.0
91.07607	1.1
95.04880	1.0
95.08598	0.9
97.63834	0.9
99.11739	2.8
107.07042	4.0
117.09109	3.0
119.08603	1.3
130.08638	3.1
133.07573	2.4
133.08586	45.2
141.16360	3.5
162.13765	1.0
177.11211	14.0
185.19032	3.4
195.12248	1.7
205.30731	1.2
221.13747	1.6
229.21536	7.3
239.14908	2.0
256.26318	1.0
273.24249	2.9
283.17474	13.2
379.30722	1.4
423.33044	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.8
55.01864	5.8
55.05506	10.5
56.72624	1.1
57.03428	16.6
59.04992	2.5
61.02917	16.6
62.48617	1.0
67.05476	4.4
69.03419	35.6
69.07061	53.7
69.73997	6.3
71.01334	3.1
71.04993	1.8
73.02909	86.0
79.05486	1.3
81.03392	7.2
81.07039	3.1
83.04956	2.6
83.08624	1.8
85.02896	100.0
87.00787	2.2
87.04449	3.7
91.03938	3.4
93.07039	2.0
95.04943	2.2
95.08591	3.2
96.04433	1.3
97.02882	56.1
99.04446	3.9
103.03915	3.4
105.01859	1.9
107.08585	1.4
109.02864	7.6
111.04365	1.1
111.11710	27.3
115.03918	29.4
119.08593	2.2
123.11693	2.0
127.03902	35.5
133.04961	29.7
133.10109	1.8
135.11732	1.1
145.04948	40.5
150.07591	2.4
157.04916	2.3
162.07590	1.5
163.06018	18.1
165.12686	1.2
181.04990	1.4
199.05960	1.8
207.13744	2.6
211.05817	1.2
217.07050	1.7
223.05974	6.1
225.14832	2.8
237.14885	1.9
241.07002	9.5
243.15933	1.3
248.80949	1.2
259.08084	8.8
277.09152	1.9
295.10147	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.0
55.01871	7.1
55.05507	10.2
57.03433	22.8
57.07066	2.0
58.50170	1.0
59.04974	1.8
61.02648	1.4
61.02921	16.8
67.05491	2.6
69.03043	1.7
69.03423	38.6
69.07062	69.7
70.07421	0.9
71.01340	4.3
71.04976	2.7
71.24634	3.1
73.02910	85.5
79.05472	2.0
81.03416	9.2
81.07040	3.4
85.02896	100.0
86.09680	2.0
87.04443	4.1
91.03921	3.5
91.05444	2.0
93.07022	1.8
97.02884	64.9
97.06602	1.5
99.04446	5.1
103.03927	2.9
105.01896	1.4
109.02872	9.6
109.06528	1.2
109.10118	1.5
111.04491	1.0
111.10957	1.9
111.11709	29.7
115.03922	33.4
122.23968	1.1
123.11676	2.3
127.03898	35.0
133.04961	31.9
133.05943	0.8
135.11690	1.6
145.04944	43.2
150.07571	4.0
153.71709	1.1
163.05978	17.2
175.11116	1.6
180.14415	1.1
193.04982	2.1
196.85123	1.1
199.06024	2.4
212.16338	1.2
212.75580	1.1
223.06033	7.1
225.14862	2.7
241.07042	6.7
243.15938	2.1
259.08069	8.7
295.10172	2.2
315.13467	1.6
380.61456	1.0
411.10254	1.2
440.23447	1.6
440.29874	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86629	1.3
58.99574	7.3
60.25362	1.2
60.51882	1.0
61.03586	1.4
63.18258	1.2
65.73862	1.5
70.06556	1.4
70.48241	4.3
70.48620	2.3
76.02225	11.6
82.33186	1.2
83.08575	1.3
84.04465	2.4
84.08144	1.2
86.09719	1.6
86.99033	2.7
91.05467	1.8
100.02192	9.3
102.03757	1.6
104.59040	1.3
105.00095	3.3
120.41372	1.3
122.06017	2.8
136.07556	1.8
137.07109	1.5
138.05481	2.4
142.03194	1.6
146.02681	11.3
150.05463	2.0
158.09634	2.6
164.07019	1.7
168.08083	1.6
170.09601	1.6
172.07500	2.9
174.09166	1.7
175.03871	1.4
175.08699	6.4
186.09113	5.4
187.12320	2.6
188.03708	3.1
189.10175	4.5
194.01149	1.2
196.04295	1.9
196.07576	4.4
198.09230	10.0
199.08598	2.1
200.07054	3.6
206.78383	1.2
207.06454	3.1
212.09190	2.4
212.10892	2.9
213.10216	15.7
214.08617	7.3
214.10736	2.2
215.08020	1.6
215.11723	6.1
217.09776	6.3
224.07066	1.7
226.06924	2.1
226.08928	1.8
227.08055	2.8
227.11757	3.7
228.04836	1.6
229.09673	2.4
231.11275	3.1
235.10725	10.0
239.08229	1.9
240.08745	6.6
241.09694	49.6
242.04752	2.4
242.08105	5.9
242.10306	1.8
243.11316	25.8
244.11632	2.1
254.10468	3.5
255.11261	8.1
256.10162	1.7
257.12772	3.1
258.12314	16.1
259.07999	2.4
259.10736	39.0
259.13351	2.4
260.09122	4.0
271.08908	2.1
271.13135	3.2
273.06912	1.6
273.12338	2.3
277.11734	1.9
282.09991	2.2
283.10660	11.1
284.08899	3.2
284.13916	2.5
285.12305	17.8
286.09454	3.1
299.08380	4.5
300.10986	1.8
301.11792	40.8
302.12482	2.1
303.13336	6.3
317.13635	29.0
318.12402	6.5
319.12860	7.4
360.13953	2.3
362.11572	11.0
363.09918	7.2
404.12653	25.9
405.11209	11.0
422.13763	100.0
423.12231	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92845	3.1
54.98105	3.7
55.05500	13.4
57.07063	8.6
67.05486	10.2
69.07053	18.4
71.37108	3.9
72.06519	3.2
79.05492	11.8
81.07046	32.3
83.08617	13.9
89.05996	6.0
91.05475	7.5
93.07044	22.0
95.04971	4.1
95.08599	58.1
97.10165	5.4
105.07003	29.2
107.08578	39.9
109.10141	40.0
119.08582	55.3
121.10132	31.5
123.11707	15.4
128.90105	3.7
131.08498	4.0
133.08658	4.8
133.10112	33.6
135.11676	25.2
137.13222	7.8
145.10086	8.1
147.11678	27.6
149.13257	19.9
161.13284	19.5
163.14828	10.9
163.32654	3.5
175.14847	12.3
177.16446	5.9
187.14760	5.1
189.16365	49.7
191.16254	6.1
191.17946	56.0
201.16367	17.5
203.17938	100.0
204.18243	5.4
205.19519	16.5
215.18097	5.0
217.19511	14.0
221.19008	3.9
231.21132	8.3
235.16872	5.3
247.17137	6.0
249.18541	18.4
249.71507	3.5
393.34738	8.1
439.30206	5.3
439.35675	25.9
463.88138	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.5
57.03419	0.9
57.07060	2.8
65.03911	0.8
67.05176	1.1
67.05498	14.1
69.07059	13.4
71.08627	1.4
71.67081	1.2
75.34837	0.7
77.26522	0.7
79.05482	7.9
81.03402	1.7
81.07048	22.3
83.08612	6.9
85.02888	0.8
87.04408	0.8
91.05459	8.1
93.07035	18.9
95.04960	2.0
95.08596	44.8
95.24395	0.7
96.08878	1.3
97.10134	4.5
105.07016	21.1
107.08583	34.2
109.09406	1.8
109.10148	31.2
111.08079	1.1
111.11673	0.9
117.06960	1.2
119.08569	40.0
121.10133	28.8
121.36915	0.8
123.11684	11.2
125.05939	1.0
125.09618	1.3
129.06862	0.8
131.08595	3.5
133.10112	33.9
135.08017	0.9
135.11678	20.6
137.13264	3.9
139.07544	1.5
145.10133	5.7
147.11670	30.4
149.13239	15.7
153.09090	6.3
157.10162	1.5
159.11644	3.8
161.11887	1.1
161.13242	17.5
161.14525	1.3
162.13603	0.9
163.14833	9.1
167.10661	3.3
171.11639	1.0
173.13242	3.5
174.14053	1.6
175.11217	1.0
175.14819	11.2
177.16324	6.0
179.10652	1.5
181.12271	0.8
187.14790	3.5
189.16364	38.4
190.16693	1.4
191.17926	60.9
192.18315	1.9
193.12206	3.0
201.16325	8.1
203.17935	100.0
204.18262	4.8
205.19508	14.1
206.19910	0.7
207.17357	1.9
213.16437	1.9
215.17973	4.1
217.15987	1.2
217.19482	9.7
221.15271	1.1
221.18919	4.4
229.19466	1.6
229.74922	0.8
231.17427	2.3
231.21086	2.6
232.56190	0.7
235.16881	5.3
241.19525	0.8
243.21233	1.2
245.22557	2.3
247.16901	2.8
249.18478	15.0
257.22733	0.9
261.18329	1.4
269.22772	1.0
353.74194	0.8
393.34970	6.2
439.26883	1.7
439.35641	15.9
440.36118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
53.26742	0.7
55.05506	9.8
56.96563	1.1
57.03446	1.0
57.07064	2.7
59.17804	0.8
64.15096	0.8
65.68751	0.7
66.06721	0.7
67.05496	15.9
69.03404	1.0
69.07062	14.2
70.12433	2.4
70.12829	1.7
71.04966	1.0
73.95522	0.9
79.05486	9.9
79.86111	0.9
79.94170	0.9
81.03411	2.5
81.07042	26.0
83.08606	7.7
85.02871	2.6
89.35008	1.0
91.05463	10.0
93.07033	19.1
94.07431	0.8
95.04955	2.5
95.08595	45.7
97.06540	2.3
97.10151	4.4
98.20731	1.3
105.07014	20.4
106.07339	0.9
107.08576	34.9
108.08900	1.0
109.06528	1.6
109.10136	31.9
111.08058	1.8
111.11679	1.2
117.07034	1.4
119.08569	40.4
120.06009	0.8
120.08900	1.7
121.06519	1.2
121.10124	29.6
123.08125	1.4
123.11675	10.2
125.09554	1.3
127.03923	1.2
129.07077	1.0
131.08551	3.9
133.10109	32.4
134.10406	1.2
135.08072	1.1
135.11671	19.5
137.13268	4.9
143.08501	1.3
145.10143	4.6
147.11662	32.7
149.09619	2.0
149.13243	13.8
151.11166	1.3
151.14980	1.2
153.09100	5.3
157.10112	2.0
159.11700	4.6
160.12355	1.2
161.13237	16.9
163.14793	7.5
165.09059	0.9
165.12819	1.0
167.10713	3.1
171.11618	1.6
173.13280	2.9
175.11107	1.3
175.14807	10.5
177.16364	4.9
179.10690	1.6
187.14752	2.3
189.16362	40.8
190.16690	1.3
191.17921	63.2
192.13774	1.4
192.18285	1.8
193.12285	3.4
201.16386	9.6
203.17923	100.0
204.18317	2.9
205.19484	15.7
207.17412	1.8
211.13281	1.3
213.16371	1.6
215.17946	3.3
217.19482	10.7
219.21138	1.4
221.15491	1.0
221.18912	4.6
229.19522	1.8
231.21088	2.4
233.15462	0.9
235.16936	5.2
243.21133	1.4
245.22626	3.1
245.75523	0.9
247.16881	3.1
249.18446	17.3
257.22696	2.0
261.18542	2.7
269.22418	1.2
289.21786	1.4
301.21512	1.2
322.76028	0.9
365.16693	0.9
371.05270	0.9
374.29471	0.9
393.35117	7.2
432.82626	0.8
434.15036	1.0
439.26544	2.3
439.35706	21.4
440.35568	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.05507	12.3
57.07065	6.4
64.33696	2.0
67.05502	26.3
68.24453	2.0
68.86847	2.1
69.07056	15.9
70.46651	8.8
79.05482	17.3
81.03436	4.1
81.07052	48.5
82.76524	2.4
83.08619	10.5
84.17635	2.3
85.02941	2.3
89.18710	2.3
91.05468	13.7
93.07047	30.0
95.04958	6.3
95.08597	71.1
97.06526	4.5
97.10168	8.5
105.06401	4.2
105.07035	33.6
107.08578	39.8
109.06470	2.8
109.10149	47.8
110.10519	2.8
111.08069	3.6
117.06995	3.0
119.08572	52.0
119.09390	3.0
120.51129	2.6
121.10133	35.8
123.11701	27.7
125.05988	3.3
131.08569	6.1
133.10124	36.4
135.08072	2.4
135.11679	29.2
137.09595	2.8
137.13243	19.4
145.10152	12.5
147.11685	34.0
149.02408	2.5
149.13264	21.0
153.09126	5.6
157.10141	2.2
159.11714	7.3
159.70818	2.4
161.13264	20.4
163.14803	6.8
165.09167	2.8
167.10716	4.5
171.11624	3.7
175.11279	2.5
175.14792	12.1
177.16364	8.7
179.10753	2.3
179.17941	3.8
181.12170	2.8
187.14824	6.2
189.14670	4.0
189.16370	57.4
190.16638	3.4
191.17926	65.0
193.05032	3.5
193.12350	3.3
201.16426	16.6
203.17941	100.0
204.18399	4.7
205.19536	17.9
207.17549	2.8
213.16284	2.7
215.17935	15.2
217.19476	12.8
219.21080	2.4
221.19005	3.2
229.23468	3.1
231.17577	2.7
235.16843	7.5
237.07401	3.9
243.21248	2.9
245.22607	2.8
247.16904	4.8
249.18544	16.9
261.18518	10.0
301.64386	2.5
393.35046	8.5
439.28296	10.3
439.35724	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68963	1.0
53.03939	2.7
54.17731	0.9
55.01844	1.1
55.05504	12.7
57.03434	1.1
57.07065	4.2
59.05005	1.1
65.03914	1.5
67.05503	24.7
69.03396	2.0
69.07064	17.6
71.04981	1.9
74.82503	0.9
79.05477	12.2
81.03404	5.7
81.07050	28.9
83.04991	2.2
83.08615	11.8
85.02894	4.2
91.05461	13.8
93.07042	24.3
95.04962	3.8
95.08601	50.5
96.08917	1.7
97.02940	1.2
97.06528	3.0
97.10156	5.2
103.05445	1.1
105.07024	26.2
106.07365	1.7
107.08590	34.9
108.08906	1.2
109.06511	3.1
109.10152	36.9
110.10475	1.8
110.84904	1.0
111.08091	1.6
111.11691	1.3
117.07018	2.6
119.07719	2.4
119.08574	43.6
120.08906	1.1
121.10142	30.3
123.08070	1.7
123.11691	12.0
125.09588	1.3
126.10122	1.2
129.06990	2.8
131.08548	5.7
133.10114	30.8
135.08017	2.1
135.11684	22.8
137.13274	7.5
139.07500	1.2
143.08549	1.8
145.10133	6.2
147.08028	1.2
147.11682	31.0
149.09653	1.3
149.13264	17.5
153.09071	4.8
153.73100	1.1
157.10121	3.0
159.11703	5.3
161.13251	17.6
163.14816	9.1
165.09111	2.0
167.10689	3.4
171.11710	2.5
173.11790	1.8
173.13278	4.4
174.13968	1.4
175.11191	1.4
175.14777	10.3
177.16452	6.4
179.10637	2.7
185.13249	2.4
187.14842	4.5
189.16373	40.0
191.17934	61.9
192.18292	2.6
193.12210	5.7
199.14775	1.5
201.16370	8.8
203.17946	100.0
204.18294	3.3
205.19518	16.6
207.17302	2.3
211.13297	3.2
213.16472	1.2
215.17924	3.9
217.19482	10.0
221.19026	4.7
231.17450	2.5
231.21078	3.1
235.16867	5.6
238.69675	1.0
243.21019	2.2
245.22691	4.2
247.16956	2.5
249.18449	17.6
255.21129	1.4
257.22595	2.0
393.35141	5.5
415.74176	1.1
439.26883	6.8
439.35751	21.2
440.27203	1.3
440.35938	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.05507	11.2
56.96537	0.9
57.07062	3.7
65.02753	0.9
65.03918	0.9
67.05501	14.9
69.07057	15.9
69.40028	0.9
70.29898	4.3
79.05489	10.8
81.03408	2.2
81.06596	1.6
81.07046	29.2
83.08611	8.7
85.06532	0.9
91.05466	10.2
93.07037	23.1
95.04946	1.6
95.08601	49.8
96.08909	1.4
97.06468	1.0
97.10153	4.6
98.21327	1.1
105.07024	24.5
107.08582	36.9
108.64149	0.8
109.06490	1.6
109.10146	30.3
111.08057	2.0
111.11707	1.8
117.06992	2.0
119.08569	41.9
120.08862	0.9
121.10130	32.0
123.11687	11.1
124.51926	0.8
125.05931	1.4
125.09613	1.2
131.08548	4.6
133.06396	1.0
133.10118	34.6
134.10490	1.3
135.11687	20.9
136.11983	0.9
136.28052	0.9
137.09584	1.3
137.13220	4.7
139.07523	2.1
141.09184	0.8
143.08556	1.4
145.10104	6.4
147.11670	31.7
149.02208	0.9
149.09589	1.0
149.13237	14.8
151.11200	1.2
153.09076	6.9
157.10104	2.6
159.11711	5.7
161.09549	1.1
161.13252	17.5
163.14781	6.3
165.09102	1.6
167.10658	5.4
171.11667	1.5
173.13252	5.1
174.14024	1.4
175.11209	1.3
175.14807	10.8
177.16357	5.3
179.10667	1.6
179.17760	1.0
181.12355	1.2
185.13229	1.1
187.14806	4.0
189.16365	39.4
191.17932	61.7
193.12236	1.9
194.05278	1.2
199.14720	2.0
201.16356	10.6
203.17935	100.0
204.18275	3.4
205.19498	14.2
207.17522	1.8
213.16316	1.7
215.17929	4.7
217.19406	7.7
221.19020	4.1
229.19437	1.5
231.17551	1.3
231.21071	3.3
233.15291	1.1
235.16835	4.8
241.19406	1.7
242.65112	1.0
243.21101	2.3
245.22632	2.7
247.16884	3.0
249.18469	15.7
261.18457	2.3
287.20273	1.1
393.35104	6.9
439.35776	19.3
440.35849	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68232	0.8
55.05499	12.1
57.07062	3.6
61.13897	0.9
67.05493	10.3
69.07057	14.5
70.96727	2.2
70.97073	1.5
71.08615	0.9
71.24608	0.9
79.05476	6.8
81.07040	27.0
83.08611	7.4
86.23789	0.9
91.04948	1.3
91.05460	9.3
91.99194	0.9
93.07028	23.8
95.08592	53.2
96.08929	1.4
97.10163	5.2
99.35970	0.9
103.98682	0.8
105.07005	23.9
105.38439	0.8
107.08578	38.8
109.06525	1.2
109.10137	33.6
111.11685	1.7
117.06987	2.2
119.08563	45.0
120.08866	0.8
121.10128	30.0
123.11695	15.8
131.08513	3.8
133.10103	36.2
135.08058	0.9
135.11668	22.4
137.13239	6.0
143.08498	1.1
145.10126	9.0
147.11662	33.4
148.11993	1.4
149.09776	1.0
149.13234	20.8
150.13571	1.2
151.14821	1.1
153.09082	6.8
157.10069	1.8
159.11685	4.4
161.13235	19.4
163.14789	10.2
165.09033	1.3
167.10594	2.5
171.11609	1.0
173.13258	3.5
175.14784	12.3
177.16339	6.5
179.10692	1.5
179.17982	1.1
181.12384	1.1
185.13266	1.6
187.14799	4.3
189.16357	52.5
190.16737	1.4
191.17912	64.7
192.18167	1.5
193.12132	1.6
199.14668	1.0
201.16365	14.0
203.17924	100.0
204.18309	3.7
205.19493	19.5
207.17427	2.2
215.17990	4.9
217.19460	11.6
221.15407	2.2
221.19006	4.0
223.16887	1.1
229.19423	1.5
231.17430	3.3
231.21057	3.2
233.15416	1.3
235.16908	6.8
241.19426	2.0
243.20992	2.0
245.22729	5.3
247.16893	4.5
249.18419	15.8
257.22635	1.7
261.18585	1.6
269.22647	1.7
289.21689	1.1
315.23047	1.2
393.35275	7.1
439.35648	22.0
440.36124	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	10.0
55.91955	1.2
57.07062	4.3
67.05486	9.3
69.07063	13.9
70.14123	5.4
79.05483	7.1
81.07049	21.6
83.08598	7.4
91.05456	7.7
93.07034	16.3
95.08598	44.4
97.10159	3.9
98.20771	2.0
98.76337	1.4
105.07024	23.5
107.07894	2.5
107.08582	34.3
109.10155	30.1
111.08057	1.3
119.08560	34.5
120.08897	1.6
121.10131	31.7
123.11695	11.1
126.24978	1.4
129.72360	1.4
131.08543	3.3
133.10109	32.4
135.11668	17.9
137.13303	7.5
139.07497	2.3
145.10143	7.0
147.11667	31.6
149.13234	14.7
153.09073	5.0
159.11676	4.2
161.13242	17.0
163.14787	9.1
167.10680	3.6
173.13249	3.5
175.14772	10.7
177.16368	6.5
187.14716	1.6
189.16365	44.2
190.16649	2.4
191.17931	61.2
192.18246	1.7
201.16400	11.7
203.17931	100.0
204.18268	3.8
205.19489	15.5
207.17482	1.8
215.18002	2.2
217.19534	8.1
221.19017	5.0
229.19492	1.4
231.17389	4.0
231.21030	3.8
235.16928	4.4
243.21039	2.0
245.22702	2.5
247.16982	4.0
249.18530	15.1
250.18907	2.0
261.18555	2.3
269.22531	1.4
353.85083	1.4
393.35028	6.3
426.44339	1.5
439.35681	24.0
440.35886	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.7
57.07068	77.7
67.05481	4.0
69.07043	9.0
69.78242	2.5
70.81149	9.9
71.08241	4.1
71.08622	70.7
83.08595	2.7
85.10170	42.6
89.06018	100.0
97.10159	3.0
99.11718	6.3
104.20016	2.7
107.07055	3.2
107.08568	3.4
109.10142	2.6
110.10543	2.8
113.13258	5.8
113.28264	3.1
133.08588	58.2
144.99483	2.6
151.09525	4.4
164.78268	2.9
177.11177	15.6
178.13121	3.1
183.80034	2.5
195.12173	3.6
220.52222	2.9
239.14854	51.4
379.84589	2.6
421.35147	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29157	2.5
53.03913	3.1
55.05503	12.1
57.07068	5.8
62.36773	2.1
64.52829	1.9
67.05497	19.6
69.03412	2.9
69.06802	1.9
69.07063	21.1
69.98560	10.2
69.98972	4.8
72.08134	9.1
79.05484	27.8
80.46101	1.9
81.03416	3.1
81.06593	4.1
81.07044	52.9
81.95419	2.3
83.04919	2.2
83.08601	9.6
84.67973	2.2
85.02892	3.1
85.78639	2.0
86.09695	18.9
91.05461	29.3
93.07031	50.8
95.04942	6.8
95.08587	60.2
97.02857	2.6
97.06498	6.5
97.10152	7.1
102.30123	2.1
105.07017	61.2
107.07896	3.9
107.08576	57.3
109.02865	2.2
109.06438	3.2
109.10150	32.9
111.83603	2.0
115.05394	3.4
117.06995	11.4
119.08571	52.0
121.06477	3.3
121.10132	42.1
123.08036	2.4
123.11684	16.7
125.05972	5.2
128.06177	6.4
129.06990	9.5
131.08557	63.6
133.10120	32.8
135.11674	50.3
137.13243	10.8
141.06949	4.4
141.84875	2.4
142.07695	4.9
143.08560	37.7
144.09334	4.0
145.06438	3.0
145.10101	46.1
147.08003	3.3
147.11665	32.0
149.05934	5.8
149.13226	21.6
155.08536	6.3
156.09283	13.7
157.10104	31.1
158.07117	2.3
158.10925	10.3
159.11678	41.4
161.09514	2.3
161.13222	25.5
163.07550	3.4
163.14799	8.6
165.12639	2.3
168.09425	2.8
169.10088	11.2
170.10841	4.6
171.08022	3.5
171.11667	37.0
172.12431	2.0
173.13234	60.1
175.07510	8.0
175.11099	4.2
175.14832	12.2
177.16354	6.5
183.11639	4.7
185.13234	49.2
187.14796	59.6
189.09169	3.3
189.12776	3.5
189.16374	47.3
191.17921	100.0
192.18291	3.9
195.11739	2.8
197.13298	7.7
199.11125	13.0
199.14752	10.7
201.16357	27.1
203.14409	5.1
203.17935	43.5
204.28261	2.4
205.19568	6.8
209.13179	3.4
211.14772	3.2
212.16589	2.4
213.12766	5.7
213.16313	3.6
215.10652	5.5
215.14397	2.6
215.17943	5.9
217.12241	9.2
217.19466	8.0
225.16354	3.5
227.13928	9.0
229.12289	2.7
231.13782	30.1
233.15366	3.3
239.17863	4.0
240.50552	2.9
241.19411	3.7
272.18536	3.4
295.24091	2.5
375.30566	7.2
377.31985	10.1
393.31467	2.8
421.30939	52.4
422.31335	4.2
439.23312	3.0
439.31992	29.2
440.30246	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.6
57.07077	5.3
58.06590	2.2
65.03936	3.0
67.05499	5.6
69.07071	2.4
70.06584	18.5
70.12624	5.5
71.04971	1.0
71.08633	1.6
74.06074	1.1
75.60612	1.1
76.01177	1.0
78.30038	1.0
79.05489	3.3
81.03417	2.1
81.07050	3.2
81.72231	1.1
83.04981	1.1
83.07583	0.9
85.10188	1.4
87.58626	0.9
88.07618	18.5
91.05495	2.4
93.07052	2.3
95.04964	1.4
95.08591	3.0
97.06533	2.2
102.09158	15.3
105.07052	1.6
109.06523	1.3
109.10157	2.5
110.10532	1.2
117.06983	1.2
119.08514	1.9
121.02869	1.2
121.10131	1.0
126.35810	1.0
133.10109	1.0
137.09540	1.1
139.03917	2.2
139.27791	1.0
149.02324	59.3
157.10124	1.0
168.08139	1.6
172.11185	1.0
193.04947	62.5
212.10789	2.1
222.12964	1.4
225.57350	1.1
228.23201	57.6
237.07552	76.3
238.07828	1.2
272.25873	1.9
286.20453	1.1
291.71664	1.2
297.13611	2.5
416.30780	1.1
438.28534	100.0
439.28818	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01849	1.9
57.03415	0.7
59.04991	0.7
61.02915	1.4
69.03419	6.6
69.07048	3.6
70.80684	2.4
71.04968	1.1
71.08624	44.3
73.02898	1.5
81.03395	5.9
81.07050	0.9
85.02895	16.0
87.00823	9.2
89.65314	0.7
89.78941	0.6
97.02886	8.0
97.06504	0.9
98.21330	0.9
99.04429	2.5
99.08080	100.0
100.08427	1.9
105.01857	7.1
109.02853	4.7
117.01855	1.2
122.30370	0.7
127.03905	9.9
129.12743	12.2
145.04944	3.6
155.14299	3.0
159.02899	2.5
173.15358	60.8
174.15700	1.5
189.58084	0.7
200.93608	0.8
209.92282	0.7
231.04947	1.7
308.38153	0.8
339.37659	0.7
357.28302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99230	1.9
53.03940	3.7
55.01849	6.3
55.05497	7.4
56.66080	2.3
57.03427	15.9
61.02915	13.6
61.88210	2.3
67.05494	87.8
69.03419	31.6
69.07069	4.1
70.06578	3.6
70.63257	8.9
71.01347	4.1
73.02906	76.8
79.05481	6.1
79.16560	2.4
81.03394	9.9
81.07025	17.5
83.04994	2.4
84.04501	3.6
84.08122	3.2
85.02892	77.7
86.09697	4.3
87.04446	4.9
87.95708	2.3
91.05440	5.0
93.07019	7.2
95.04977	2.7
95.08585	6.5
97.02879	62.1
97.06490	4.0
99.04419	3.7
103.03935	2.9
107.04950	2.5
107.08570	4.1
109.02866	7.4
109.10137	100.0
115.03912	29.5
120.08082	2.5
121.10123	5.4
127.03889	31.0
129.07051	2.0
131.08591	2.6
133.04958	28.2
133.10037	2.1
135.11765	2.5
139.11182	2.5
145.04930	31.8
149.09583	4.0
150.07559	3.7
163.03928	2.9
163.05986	9.3
167.10612	2.7
169.10524	2.2
193.05020	3.6
223.05989	4.5
241.07028	9.0
241.14330	8.3
259.08102	5.9
269.12869	2.9
289.05283	3.4
395.27341	4.1
438.13773	2.7
439.15097	6.3
440.89438	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01856	1.9
55.05504	1.4
57.03421	1.8
59.04980	0.9
59.25234	0.6
61.02910	0.7
67.05515	0.7
69.03423	8.2
69.07068	4.1
70.71479	2.2
71.08622	50.2
72.08951	1.3
73.02915	1.6
79.44141	0.6
81.03411	5.8
81.07090	0.7
85.02897	17.6
85.03392	1.3
87.00816	9.2
93.07068	0.6
97.02877	9.5
98.21402	0.7
99.04477	3.2
99.08080	100.0
100.08398	2.0
105.01853	7.5
109.02869	6.4
109.10141	0.6
127.03905	9.7
129.12730	11.8
145.04932	5.4
151.21230	0.7
155.14311	2.6
159.02907	2.8
173.15355	58.8
174.15666	1.4
231.05000	1.6
248.24196	0.7
396.59363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.6
54.20392	2.6
55.05504	12.6
55.85953	2.2
57.03421	5.3
57.07075	5.6
64.09248	2.1
65.14644	2.5
67.05502	31.7
69.07067	23.7
71.75129	3.9
71.75514	3.4
79.05482	28.1
81.03388	2.8
81.07046	49.7
83.04951	4.4
83.08594	11.5
85.02876	2.4
88.51381	2.1
91.05461	25.3
93.07031	37.8
95.04974	7.5
95.08596	68.9
97.06530	4.6
97.10151	4.9
105.07013	45.4
107.08576	46.6
109.06501	5.7
109.10146	49.9
111.29627	2.5
112.34580	2.5
116.52586	2.6
117.07011	10.7
119.08568	65.2
121.10133	37.4
123.11705	12.3
129.06967	5.2
131.08548	23.6
133.10112	52.1
135.08002	3.6
135.11668	19.7
137.13251	2.8
143.08543	6.6
145.10103	38.5
147.11671	35.3
149.09673	3.1
149.13239	15.4
157.10110	9.9
158.10942	2.9
159.11694	29.1
161.13235	22.1
163.11263	2.6
163.14787	12.7
165.09068	2.4
169.10097	4.6
171.08043	2.7
171.11728	7.4
173.13255	26.8
175.14798	26.5
177.16365	15.2
181.12268	2.3
183.11734	6.2
185.13280	5.9
187.14743	12.8
189.16351	60.0
190.16716	3.7
191.17993	7.9
193.15825	2.5
199.14838	6.6
201.16362	50.8
203.17920	51.3
211.14891	2.7
213.16371	6.8
215.17935	36.9
217.19508	4.9
219.17599	3.1
221.15544	3.2
225.16432	6.8
227.17917	5.5
229.19530	10.3
233.15384	3.1
239.17882	6.4
241.19528	7.0
243.21092	5.9
247.16989	5.2
253.19501	6.0
255.21182	5.1
267.21115	4.1
271.16925	3.0
273.18463	3.0
275.20139	2.6
279.21182	3.9
281.22577	5.5
285.18671	2.7
299.19968	4.6
327.23096	4.1
381.75586	2.9
391.33536	29.5
437.25296	7.6
437.34143	100.0
438.26035	5.3
438.34473	5.8
459.45016	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.6
55.01855	5.9
55.05505	19.2
56.96536	1.6
57.03430	18.1
59.04967	1.5
61.87282	1.5
65.03916	4.7
67.05498	87.0
69.03423	3.3
69.07059	16.1
71.01326	4.6
71.04987	7.9
71.74915	2.9
79.05488	57.9
81.03410	31.3
81.07049	40.0
83.04969	13.9
83.08604	5.9
85.02898	10.5
85.06539	1.9
91.05470	100.0
92.05832	2.1
93.07033	71.1
95.04953	29.9
95.08600	28.6
97.02860	4.0
97.06521	15.3
97.10149	8.6
99.08078	1.9
103.05461	1.8
105.07007	17.2
106.11166	1.9
107.04922	7.2
107.08591	34.9
109.06496	5.8
109.10154	31.7
110.17770	1.5
111.04407	3.1
111.08089	3.3
115.05440	2.3
117.07014	13.3
119.08569	82.5
121.06491	7.0
121.10128	13.1
123.04379	1.5
123.08020	3.9
125.05919	1.7
125.09611	3.9
129.06972	6.1
130.09554	1.4
131.08574	4.8
133.06456	2.6
133.10089	5.4
135.08052	7.4
135.11682	49.0
137.09605	40.5
141.07095	1.8
145.10097	13.3
147.08028	8.3
147.11662	4.1
149.09622	3.2
153.12692	3.3
157.10101	2.8
159.08005	1.8
159.11682	1.8
161.09650	1.8
163.11157	12.3
164.49884	1.7
165.09111	33.7
171.11757	2.4
173.09476	2.1
173.11731	3.9
177.09102	2.1
181.12224	10.4
183.10156	13.6
189.09134	1.6
191.10686	2.3
193.12270	1.7
203.10643	2.5
205.12352	1.8
218.32143	1.5
223.13211	2.6
227.12701	4.7
239.12643	4.8
254.76524	1.8
255.15933	14.5
301.18008	6.9
317.21103	1.7
319.19064	2.5
327.19470	2.6
345.20657	4.5
419.24103	7.2
437.25345	47.1
438.25650	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12529	1.8
53.03930	3.0
55.01873	9.6
55.05506	26.8
56.96557	3.2
57.03433	86.8
57.52422	1.8
59.04996	3.2
60.27790	1.7
61.02901	4.3
63.40674	2.0
65.03918	4.2
67.05499	52.6
69.03414	6.8
69.07065	14.4
71.04987	6.2
71.35522	3.0
71.35834	2.2
79.05486	100.0
80.05824	2.1
81.03407	61.9
81.07046	64.4
83.04990	16.0
83.08607	31.4
84.04485	8.5
85.02899	35.0
85.06546	2.9
87.04456	2.3
87.36302	2.0
88.38757	1.9
91.05470	46.2
92.05814	2.6
93.07038	33.5
95.04389	3.2
95.04963	44.0
95.08593	20.1
97.02862	6.7
97.06526	11.1
97.10162	8.7
99.08068	2.0
105.07021	36.3
107.04948	10.2
107.08587	41.0
109.06481	10.7
109.10126	15.9
111.04412	5.8
111.08067	12.9
113.06004	3.6
115.05416	4.2
117.07011	7.6
119.08570	27.4
120.08943	2.3
121.06455	4.5
121.10143	13.2
123.08062	5.3
123.11694	2.1
125.09618	26.1
129.06989	15.6
130.04974	6.2
131.08560	16.5
133.06479	5.2
133.10118	14.6
135.08028	12.3
135.11691	7.6
137.09608	5.9
142.07773	4.3
143.08604	4.3
145.10124	7.6
147.08031	6.1
147.11662	17.1
149.09610	9.3
151.11159	2.9
153.09081	5.9
157.10127	13.7
161.09630	2.6
163.11166	6.5
165.09109	3.1
165.12727	5.8
171.11766	2.3
173.11707	2.6
175.07617	4.6
175.11192	16.4
181.12285	2.2
181.89127	2.1
183.12573	4.3
193.12216	69.0
209.11807	2.9
211.13275	73.5
227.12772	12.4
243.08795	3.2
267.08984	9.4
267.15881	6.2
285.10077	16.1
285.16864	15.9
301.17868	14.2
319.19144	3.1
323.10794	2.6
324.11374	6.9
324.61505	3.3
325.69376	2.6
329.33630	2.1
345.20602	4.6
419.24258	6.6
433.04764	2.2
437.12265	3.4
437.25314	76.7
438.25775	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87378	2.6
53.03932	6.2
55.01861	6.2
55.05505	6.7
57.03419	3.3
58.92266	2.6
64.41747	2.7
65.03933	5.1
67.05486	9.7
69.03422	19.6
69.07067	6.0
70.06573	6.3
70.89505	4.1
70.89860	5.5
71.04971	6.7
73.02921	2.4
79.05486	12.9
81.03421	16.9
81.07047	10.0
85.02898	67.4
86.09697	4.6
87.00817	25.0
91.05470	22.5
93.07031	82.1
95.04941	4.7
95.08596	26.5
96.83974	2.8
97.02885	23.0
97.06522	7.2
99.04441	8.8
100.80091	2.9
105.01854	33.9
105.07027	9.3
107.08580	100.0
109.02849	18.0
109.06491	8.7
109.10144	7.8
119.08550	5.8
120.08010	3.0
124.67649	2.7
127.03897	43.0
129.01836	3.0
131.08569	3.1
135.11685	51.5
145.04948	20.4
145.10120	4.3
147.04460	3.6
153.12680	4.9
159.02861	8.1
205.12457	2.8
207.51628	2.6
231.05032	10.4
436.23215	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.8
53.68505	1.0
55.01854	1.3
55.05487	2.8
59.04976	1.3
61.02911	1.0
67.05489	2.5
69.03407	3.4
69.07043	2.3
69.47771	9.9
71.04976	12.8
73.06543	3.8
79.05463	4.6
81.03402	2.8
81.07042	18.2
85.02895	8.2
86.09686	1.0
87.00802	3.6
91.05447	3.2
91.52198	1.0
93.07029	11.6
95.04954	3.2
95.08586	3.7
97.02867	3.5
97.06521	4.9
102.20707	1.0
105.01834	4.3
105.06992	2.4
107.08572	11.2
109.02896	1.1
109.10125	3.2
111.08065	1.3
119.08589	1.2
127.03906	5.3
135.11678	22.7
143.08580	1.3
145.04900	1.9
151.11171	1.5
153.12721	100.0
171.13744	1.6
177.96504	1.0
195.13687	1.2
197.27771	1.0
197.50702	1.1
236.41283	1.2
310.41177	1.1
357.96512	1.2
438.60544	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.7
55.05501	2.7
56.96561	4.1
57.03435	6.7
58.25475	2.5
60.04477	3.1
61.02911	6.3
67.05248	2.1
67.05506	24.3
69.03411	7.0
69.07058	15.6
70.06572	9.1
70.07378	2.9
71.04970	5.1
71.73662	4.8
71.74039	3.0
72.08153	15.0
73.02895	8.2
74.77291	2.4
79.05487	5.8
81.03410	83.2
81.07059	6.0
83.04963	4.6
84.08117	5.6
85.02889	19.9
86.09666	6.4
91.05473	71.8
93.07030	25.8
95.04930	5.3
95.08604	22.8
97.02872	7.0
100.20577	2.9
105.07014	6.7
109.10140	20.2
113.09594	2.4
117.07040	4.8
119.08567	88.1
120.08083	8.9
120.08866	3.2
121.06547	5.7
121.10115	4.7
123.08063	3.2
127.03927	2.6
129.06958	3.2
136.07516	3.1
137.09613	47.1
138.06282	3.0
139.38406	3.1
144.10143	4.2
145.06003	2.8
147.08025	10.3
149.01329	3.1
151.07382	3.3
162.53357	2.3
164.07140	2.6
165.09097	100.0
173.04883	2.8
183.10149	26.7
187.02817	3.0
187.95457	3.4
211.33907	2.7
224.10768	3.9
226.12173	4.0
238.07909	3.9
239.12753	19.3
247.06490	4.2
255.03075	3.0
257.03387	3.2
257.13815	83.6
258.14157	3.9
268.64886	2.9
305.14969	3.0
437.15402	4.0
461.55072	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50097	2.7
51.98254	2.7
53.03938	6.8
55.01853	10.0
55.05517	5.3
57.03417	3.3
61.02914	4.4
64.67442	2.7
67.05482	4.7
69.03428	25.7
69.07063	6.4
70.06569	5.1
71.05001	3.7
71.74490	3.3
71.74850	2.7
72.08144	4.0
73.02889	8.6
78.83435	2.6
79.05490	18.4
80.83317	2.5
81.03413	17.7
81.07050	9.7
83.04964	6.1
84.08125	4.9
85.02896	55.4
86.09695	9.6
87.00822	22.3
91.05473	22.3
93.07034	76.1
95.04963	6.4
95.08591	12.9
97.02882	27.5
97.06514	11.4
99.04427	9.2
103.63618	3.0
105.01855	26.3
105.07017	8.4
107.08586	100.0
109.02871	22.5
109.06507	4.7
109.10155	4.2
119.08566	4.2
120.08088	7.3
121.10112	3.1
127.03901	41.4
129.01755	3.1
135.11678	66.4
144.13789	6.8
145.04951	22.7
147.02782	3.4
147.04417	16.4
151.03819	2.7
153.12695	6.6
159.02875	14.6
231.05006	8.1
243.13956	2.7
248.26163	3.1
303.04773	4.2
304.05408	13.2
309.98868	2.8
329.55997	3.2
342.31113	2.9
356.07556	4.7
376.00897	4.9
391.03198	10.9
409.04071	3.8
436.23245	8.1
437.14014	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2501
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05498	24.2
57.03430	11.2
57.07063	10.8
67.05499	61.8
69.07055	31.5
69.52834	36.2
79.05493	25.0
80.39867	3.3
81.07046	56.2
81.96871	3.9
83.04987	4.6
83.08608	24.6
85.06538	5.4
91.05466	20.2
93.07037	23.7
95.04929	4.8
95.08595	55.6
97.06516	7.1
97.10164	9.4
98.98450	66.7
99.04432	4.0
105.07018	15.2
107.08591	15.0
109.06516	25.1
109.10136	30.8
117.06980	3.6
119.08562	12.9
121.10123	14.2
123.08128	5.6
123.11681	10.5
131.08542	6.4
133.10103	10.4
135.11661	10.0
143.08534	4.1
145.10130	7.1
147.11617	4.5
147.57147	3.2
155.00996	13.5
157.10094	8.9
161.13277	4.3
163.11095	4.3
165.60655	3.9
166.08060	4.0
169.10104	4.7
173.02101	13.2
177.35446	3.5
189.12895	4.4
211.14824	4.4
229.07506	8.0
245.22643	10.5
247.08432	6.7
249.23457	4.4
263.23734	18.2
296.10233	7.6
305.10822	3.7
337.27338	100.0
338.27875	7.9
355.63156	3.9
435.28592	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.6
55.01864	10.1
55.05508	33.0
57.03415	14.2
62.35328	3.7
64.34433	3.8
65.03921	8.9
67.05496	100.0
68.64046	3.6
69.07065	25.5
70.28749	8.3
70.29123	16.1
71.04967	9.5
71.97655	3.7
72.86035	3.8
79.05479	90.8
81.03379	13.2
81.07045	93.9
81.33273	4.6
83.04951	13.7
83.08599	22.7
85.06522	9.8
91.05465	96.3
92.05769	5.7
93.07033	86.0
95.04965	24.1
95.08594	46.3
97.06508	27.3
97.10157	10.7
103.05450	6.5
105.07010	80.7
107.04900	19.7
107.08576	37.6
109.06514	27.2
109.10123	17.1
111.08070	5.2
115.05432	6.4
117.07001	46.8
119.08562	41.0
121.06473	12.0
121.10132	25.1
122.07505	3.9
123.08074	5.8
125.09557	10.7
128.06168	11.3
128.17209	4.0
129.07004	37.2
131.08553	57.5
133.06474	10.2
133.10124	39.4
134.22137	4.0
135.08066	11.3
135.11655	21.8
137.09557	6.2
140.83034	3.9
141.06943	17.1
143.08539	34.3
144.09297	5.2
145.06459	5.6
145.10118	35.5
147.08025	7.9
147.11667	10.1
149.09637	10.0
149.13129	4.0
155.08553	21.1
157.10086	16.3
159.11639	21.8
161.09583	6.7
163.11194	7.5
167.08553	10.5
169.10132	20.2
171.08034	4.3
171.11688	18.1
173.09537	6.5
173.13237	10.4
181.10127	9.1
183.11688	16.1
185.13251	12.9
187.11182	10.4
189.11134	5.8
189.12697	7.9
191.10648	14.6
195.11604	10.9
197.13203	13.4
199.11052	7.7
199.14577	6.4
201.12823	5.0
207.13712	5.5
209.13245	10.1
213.12637	9.9
215.14264	5.2
218.16585	4.1
223.14758	6.3
227.14526	5.2
233.15331	4.4
247.17052	7.2
297.22116	8.8
307.20511	9.4
315.23224	19.7
325.21622	38.9
333.18140	4.6
343.22565	45.1
361.23758	27.6
399.24945	5.0
417.26370	47.1
435.22751	8.0
435.27420	41.8
450.69342	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1836
Annotation	Lonchocarpic acid
Peak:m/z	Relative Intensity
53.03928	0.5
55.05498	1.3
57.03410	1.0
67.05492	0.9
69.03419	1.4
69.07024	0.6
70.06586	5.4
70.42576	0.5
70.52023	1.9
71.04977	2.3
72.08146	7.9
73.02892	0.9
73.08462	0.6
79.05480	1.2
81.03397	2.2
81.07042	1.3
84.04482	0.6
84.08116	2.4
85.02895	4.3
86.09680	2.6
91.05469	1.5
93.07048	0.9
95.04914	0.5
97.02865	2.0
99.04478	0.5
102.05524	0.6
107.04964	0.6
107.08562	0.6
108.18985	0.5
109.02911	0.6
110.67763	0.5
112.08722	0.5
114.06482	0.5
116.07007	0.6
117.07024	0.8
120.08078	3.7
123.11849	0.6
127.03926	1.2
127.08637	0.6
129.05452	1.5
129.10196	0.9
135.08058	1.1
135.11656	0.6
137.09599	1.0
141.10179	0.9
144.95775	0.6
154.04994	0.6
186.12360	1.2
190.82024	0.6
193.33438	0.5
202.14973	0.5
216.07611	1.4
231.10902	0.6
232.99643	0.6
234.98923	0.6
303.14157	8.1
321.14056	0.7
338.24976	0.5
435.18320	100.0
436.13120	0.5
436.18616	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48660	0.6
53.03936	1.2
55.05488	1.3
62.77902	0.6
67.05496	4.5
69.03419	1.1
69.07052	1.6
71.48054	0.8
71.48396	0.7
79.05488	3.9
81.03414	4.1
81.07056	3.2
83.04964	1.0
83.08585	0.9
83.70051	0.6
84.08119	0.8
85.02900	1.3
91.05482	4.5
92.60931	0.6
93.07027	2.8
95.04939	2.1
95.08571	2.1
97.06514	7.1
105.07023	2.5
107.04906	1.2
107.08579	1.3
109.02884	4.0
109.06518	1.6
109.10148	2.6
117.07000	1.2
119.08559	1.9
121.10151	0.7
123.04452	1.0
123.08047	1.2
127.03898	1.7
131.08554	1.8
133.10114	2.0
135.08017	0.9
137.09572	3.3
143.08566	0.8
145.10043	1.2
147.08023	1.0
151.07549	0.6
159.07991	0.7
161.09572	0.9
163.03883	1.1
165.09088	1.5
169.87010	0.7
186.06554	1.0
187.07310	1.3
191.10541	0.6
208.05862	1.0
224.31535	0.7
226.06740	0.9
227.05220	3.1
259.09692	0.9
261.11282	1.1
265.09128	1.0
271.04242	4.3
293.07932	0.6
299.09000	0.9
334.08951	1.2
343.19095	0.6
349.12564	5.2
373.12677	1.5
391.13559	52.0
392.14038	2.3
417.22479	1.2
435.12579	100.0
436.12863	6.0
453.03967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	11.8
56.96563	6.1
57.03435	12.1
61.02905	14.3
69.03416	38.1
70.99815	6.4
72.08122	6.8
73.02890	14.1
79.72296	5.6
81.03418	8.6
82.99854	6.8
85.02887	74.2
86.08537	5.5
86.09657	9.7
91.03967	7.3
93.29256	5.8
97.02891	39.5
98.97561	13.1
99.04441	9.4
101.00861	38.3
109.02880	8.1
113.00861	8.4
113.03484	20.4
115.02400	25.3
115.03919	5.7
116.98611	10.3
119.01921	100.0
127.02423	6.8
127.03900	42.6
128.98569	6.2
129.03911	5.9
130.93312	8.2
131.01880	42.9
133.03455	52.5
137.02933	11.6
139.02365	4.9
140.07068	4.6
143.01909	49.5
144.99869	12.8
145.03448	22.1
145.04916	19.4
147.01352	9.1
147.05022	6.4
149.03040	10.6
151.04561	9.2
155.01857	40.0
157.03484	25.2
159.01414	13.7
159.05014	9.8
161.02921	80.1
163.04503	9.0
168.99846	14.2
169.03519	15.4
171.01329	25.9
171.05014	17.3
173.02963	63.6
174.04477	8.1
175.00803	5.1
175.04491	12.4
177.00955	5.1
177.02426	16.2
183.05009	16.9
184.04555	6.8
185.02925	29.7
187.00810	27.8
187.04497	17.1
189.00931	6.6
189.02422	33.8
189.06038	6.4
191.03961	16.2
195.01399	6.9
196.99353	6.6
197.02972	13.5
199.00847	15.9
199.04453	10.0
201.02385	14.5
201.05995	9.3
203.00290	6.7
203.04016	16.4
211.04559	7.9
213.02370	11.8
215.00354	28.0
215.03911	8.6
217.01906	32.8
219.01712	7.9
219.03600	10.9
221.05002	19.0
227.04083	7.7
229.01616	9.3
229.03633	7.6
229.05704	5.5
231.03546	23.6
232.96371	9.8
233.01505	20.3
241.01900	7.6
243.03349	10.1
245.01318	7.5
245.05055	44.0
247.02986	20.1
251.02466	44.4
253.02034	7.7
259.03027	13.6
259.06641	37.2
261.08328	14.5
264.07574	21.8
264.57956	8.7
265.04062	13.0
271.02762	8.1
273.07895	9.5
273.57794	7.7
275.02457	30.1
275.05634	5.9
279.09189	17.0
287.02496	7.0
289.03979	33.2
289.07544	13.0
299.02487	6.7
301.00378	13.8
303.01923	6.4
305.03763	10.3
305.07205	20.2
307.05054	35.7
307.08752	19.4
315.01871	16.4
318.96536	7.9
319.01398	9.0
322.26819	6.2
329.03372	9.5
333.02872	14.2
343.01425	16.9
345.03186	8.4
347.04721	9.3
359.04382	8.7
361.02591	41.6
363.04004	6.3
365.09265	9.4
375.04120	18.0
377.05338	7.0
387.04291	7.9
403.03467	12.2
421.04587	9.5
435.06799	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01859	2.5
57.03434	4.9
61.02922	5.0
65.03944	0.5
67.05462	0.4
69.03422	11.0
69.07079	0.6
70.06577	1.9
70.34367	1.9
71.01324	1.2
71.04976	0.7
72.08165	0.6
73.02906	27.2
73.10217	0.5
77.03913	0.5
79.05491	3.6
81.03402	2.2
81.07054	0.5
84.04494	0.6
85.02894	31.0
86.09695	1.1
87.04440	1.6
87.73041	0.5
91.03955	1.3
91.05457	1.1
95.04951	1.8
97.02881	18.7
99.04431	1.5
102.52060	0.4
103.03933	1.5
103.05415	2.7
105.07016	100.0
106.07359	2.0
109.02872	2.3
111.04396	0.5
115.03921	10.2
117.06999	1.3
117.16122	0.4
119.08564	1.6
127.03891	11.1
128.06212	0.5
129.07008	1.1
131.04875	0.6
131.08580	0.8
133.04939	12.5
141.06969	1.7
143.08575	0.7
145.04938	18.2
145.06441	1.7
147.08022	1.3
150.07591	1.5
163.06003	6.5
175.07539	0.6
183.08017	1.4
187.07578	0.6
189.09203	0.4
191.41634	0.6
193.05040	0.7
193.08578	1.0
199.06036	0.5
201.09065	0.8
217.07080	1.2
219.10165	1.6
223.05949	2.4
227.16539	0.5
231.10265	0.5
241.07018	2.7
249.11270	0.8
259.08090	4.2
277.09167	0.8
285.13235	0.6
295.10306	1.9
347.93539	0.4
456.82809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01859	2.9
55.05503	0.7
57.03428	7.5
59.04995	0.9
60.16632	0.7
61.02916	4.8
67.05482	0.6
69.03419	12.0
70.06579	1.9
70.21093	1.3
70.21499	2.0
71.01337	1.8
71.04974	1.3
72.08125	1.0
73.02908	32.3
79.05477	2.3
81.03403	1.6
81.07033	0.9
83.04965	0.9
84.04499	1.0
84.08110	1.1
85.02895	26.0
86.09687	1.4
87.04465	1.2
91.03938	0.9
91.05479	1.3
93.07053	1.1
95.04948	1.8
96.04469	1.1
97.02876	22.2
97.06522	0.9
98.21360	1.0
98.97544	1.2
99.04386	1.4
103.03953	1.1
103.05444	2.2
105.07016	100.0
106.07347	1.5
107.08588	3.4
109.02877	3.0
110.36324	0.7
115.03917	12.1
116.98632	1.4
117.06993	1.0
119.04958	1.3
119.08553	7.7
121.02863	1.6
121.06497	3.7
122.03194	0.9
127.03896	8.4
128.06213	0.7
131.08575	2.2
133.04951	8.9
133.10150	1.0
137.88167	0.6
143.08542	4.2
145.04947	10.9
145.10101	2.9
147.08035	5.5
150.07605	2.3
159.08046	2.8
161.04489	1.1
163.03876	1.9
163.05975	3.3
165.01793	3.4
166.02184	2.1
171.08014	3.2
173.09604	0.9
183.02873	1.8
184.03241	1.6
189.09155	1.6
191.03394	0.9
193.05106	0.6
195.02873	1.9
201.09074	2.1
213.09322	0.9
219.10046	4.3
223.06003	2.0
223.09613	1.0
231.10117	1.3
241.07030	3.3
249.11203	1.4
259.08008	3.7
265.40851	0.8
268.06796	1.9
271.05637	1.0
272.06366	1.9
282.08447	2.7
283.05957	9.5
284.06345	28.2
285.06989	3.2
295.10413	1.2
296.06345	3.1
296.09747	1.1
298.07849	0.9
306.08444	1.3
308.06464	1.1
309.07538	1.7
310.07837	6.4
313.07040	5.0
314.07358	19.7
315.07687	1.0
322.08038	0.8
324.09424	5.8
337.06989	2.3
338.07355	10.9
350.07346	3.6
351.08148	1.2
362.07245	3.4
368.08423	8.2
380.08444	7.1
398.09448	7.1
416.10657	3.5
434.11563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	29.1
56.42611	4.2
59.04990	54.4
67.05491	13.8
69.03446	4.7
69.07053	15.3
69.45922	49.0
79.05471	15.3
81.07040	15.6
85.06531	100.0
90.67064	4.7
91.05459	38.6
92.93824	4.5
93.07034	31.4
95.04963	4.9
95.08612	28.6
98.20756	12.1
98.21445	10.1
105.07013	36.9
107.08564	28.7
109.06509	7.3
109.10165	22.5
111.08065	14.3
115.05469	8.7
117.06998	15.5
119.08573	63.7
121.10130	26.2
122.07256	5.2
123.08004	5.8
125.09623	20.6
128.06175	6.4
129.07008	6.5
130.07722	4.7
131.08556	19.6
133.10121	17.7
135.08025	5.9
135.11664	9.4
137.09628	24.3
142.07780	15.1
143.08548	20.3
145.10114	33.1
147.08070	7.6
147.11711	7.1
149.09625	10.8
151.11176	27.9
155.08554	8.0
156.09355	6.9
157.10095	21.4
159.11668	13.4
161.09583	6.6
161.13249	9.6
163.11160	10.1
165.12700	4.9
167.44466	4.1
169.10126	12.6
171.11647	19.3
173.13264	5.3
175.11211	8.4
179.08560	12.1
180.09404	5.6
181.10164	7.2
183.11682	14.6
185.13342	7.8
189.12735	9.1
195.11662	10.2
197.13206	6.6
203.14381	7.8
207.11742	8.0
209.13223	9.8
211.14905	5.9
223.14853	9.7
235.14749	6.7
265.19269	5.7
291.53683	5.3
397.42303	4.5
415.71631	5.0
433.31204	5.5
455.69666	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2292
Annotation	Asp-Leu-Val-Ser
Peak:m/z	Relative Intensity
53.03930	0.6
55.05507	11.4
56.05022	1.3
57.05811	1.2
60.04519	24.5
70.02950	2.6
70.06586	0.6
71.25417	0.5
72.08147	100.0
73.08468	1.1
74.06062	0.9
84.04536	0.7
84.08134	0.6
85.02917	0.8
86.09696	31.9
87.05597	1.6
88.03987	5.4
98.02422	1.0
98.09700	1.2
102.05540	0.8
110.09667	1.4
111.05597	1.0
115.05060	2.6
116.03452	0.9
124.07591	1.3
124.26950	0.5
127.12334	1.1
128.10738	1.1
129.06621	0.8
130.04994	6.5
132.10181	19.6
139.05081	1.1
139.98755	0.6
140.03464	0.8
142.08620	1.1
143.11844	1.7
155.11816	2.4
156.07687	1.5
157.06047	2.7
167.04579	1.3
169.09723	8.5
172.09688	0.6
173.12834	12.2
175.07088	7.0
183.11325	3.8
183.89964	0.5
184.07158	0.7
185.05814	0.9
187.10765	12.4
187.12448	0.9
194.52232	0.7
197.09120	0.6
201.12312	16.4
201.14061	1.0
203.06621	7.3
215.10255	21.9
215.12259	1.2
219.13379	44.1
220.13802	0.7
229.11885	1.6
256.13010	1.2
270.14548	2.5
284.12381	2.9
298.14105	1.6
302.13464	9.1
307.11658	0.7
316.15030	8.6
334.15933	3.5
344.14676	0.6
351.20343	0.9
369.21310	4.3
397.20828	2.1
415.21945	4.3
416.56415	0.7
433.11487	0.9
433.16830	3.2
433.22363	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.5
55.01865	17.9
55.05500	32.7
57.03423	12.0
57.07070	6.6
61.02920	9.6
65.03926	5.7
67.05487	44.8
68.99767	16.5
69.03419	51.6
69.07060	38.1
71.01359	5.0
71.04983	10.4
71.74483	6.1
73.02905	5.6
77.03918	3.4
79.05479	51.2
81.03413	38.4
81.07047	87.4
83.04976	56.6
83.08612	12.1
85.02898	33.2
85.06551	7.5
87.00816	26.4
91.05460	63.2
93.07034	81.1
95.04951	36.2
95.08595	64.9
97.02872	30.2
97.06517	22.6
97.10147	7.4
99.04457	7.7
101.02348	4.0
105.01870	4.4
105.07020	98.3
105.07716	6.4
107.04936	15.4
107.08578	72.6
107.09305	4.2
109.02856	8.6
109.06504	23.0
109.10143	40.9
111.04440	15.2
111.08064	9.4
115.03912	11.0
115.05448	6.7
117.01910	3.4
117.07011	27.2
119.04957	4.1
119.08568	100.0
120.08904	3.4
121.06520	19.8
121.10130	49.9
123.04350	4.4
123.08061	17.5
123.11634	8.3
125.09624	10.5
127.03916	10.8
128.06232	13.9
129.01831	8.4
129.07004	25.7
130.07788	4.1
131.04956	6.7
131.08554	62.9
133.06464	13.9
133.10115	48.9
135.04410	7.8
135.07988	15.8
135.11668	26.5
136.08342	3.1
137.05972	6.0
137.09581	9.9
139.03885	4.3
141.06985	12.2
142.07762	17.8
143.08553	46.6
145.02736	5.1
145.06512	11.3
145.10117	71.7
147.02962	5.0
147.08035	18.8
147.11667	63.4
149.05992	4.0
149.09610	13.3
149.13264	8.9
150.97543	3.7
151.07547	6.8
151.11177	6.5
153.06972	4.3
154.07776	3.4
155.08537	22.7
156.09349	14.7
157.10130	52.0
158.07260	4.9
158.10863	3.2
159.02881	9.8
159.08041	19.9
159.11690	59.8
161.08334	3.8
161.09554	15.8
161.13257	15.1
163.03864	26.4
163.07497	5.5
163.11151	10.7
165.06950	7.8
165.09111	3.9
165.12775	8.6
167.08562	6.3
168.09357	8.4
169.10086	29.8
170.10878	6.9
171.02882	3.5
171.07994	8.7
171.11661	44.1
173.09622	21.5
173.13264	28.5
175.07503	6.4
175.11169	12.8
175.14819	6.3
177.09084	7.7
177.12758	6.7
179.08594	8.0
180.09251	5.1
181.10127	18.5
182.10895	4.1
183.11659	33.2
184.12331	4.0
185.09579	11.4
185.13225	17.8
187.11194	14.9
187.14827	14.3
188.13873	3.1
189.05527	3.6
189.09096	4.5
189.12766	10.5
189.16418	6.9
191.10692	8.1
193.10110	6.1
195.10191	3.7
195.11662	18.6
196.12407	5.7
197.09599	11.0
197.13255	19.3
199.11198	13.7
199.14870	14.6
201.09013	4.1
201.12746	18.2
201.16338	27.4
203.10533	4.4
203.17944	14.6
205.12233	5.9
207.11649	7.7
209.13202	18.9
211.11174	6.1
211.14801	16.7
213.12723	12.4
213.16306	27.3
215.14323	6.8
215.17957	15.2
217.12151	5.2
217.15904	8.9
219.17418	6.9
221.13324	5.4
223.14758	7.1
225.12820	6.6
225.16350	19.8
227.14359	7.0
227.17801	19.6
228.18088	3.3
229.12216	4.7
229.15880	4.5
231.17429	7.7
233.13301	4.3
237.12816	7.0
237.16385	6.6
239.17953	6.6
241.12175	5.0
241.15865	4.2
241.19443	6.4
243.13881	6.6
243.17401	21.0
251.14291	6.3
251.18005	8.5
253.16058	4.3
254.10251	3.7
255.17464	14.3
257.19025	20.9
259.09659	14.6
261.18463	5.7
265.19540	6.9
267.17453	6.1
269.15216	5.5
269.19016	12.2
273.18463	5.1
275.17975	6.8
283.20621	9.8
287.20123	7.8
293.18951	24.5
311.19965	66.2
312.20483	4.0
323.20068	4.1
329.21060	61.6
341.20999	13.9
347.22101	12.2
359.21796	3.9
371.22165	3.5
389.23093	3.7
397.19962	7.5
415.20898	37.0
433.14877	17.8
433.22147	88.5
433.27551	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60274	1.6
55.01863	4.3
55.05501	4.7
57.03400	2.5
59.06119	8.7
67.05499	3.3
69.03404	4.8
69.07075	2.4
70.06572	6.3
70.55429	5.6
70.55804	3.5
71.04998	2.0
72.08147	9.7
73.02917	2.0
74.06086	2.7
77.96421	1.6
79.05470	2.9
81.03385	4.9
81.07043	6.0
83.04977	2.8
84.04452	2.2
84.08134	2.5
85.02887	7.9
85.07652	6.5
86.09703	8.9
91.03960	2.5
91.05472	6.3
93.07033	2.3
95.04978	2.7
95.08620	2.5
97.02880	3.9
97.06513	6.6
98.20825	2.8
98.98425	2.1
101.17910	1.7
105.07024	1.8
106.02914	4.1
109.02854	3.9
109.10153	4.0
111.08043	3.0
119.30927	1.7
120.05261	1.7
121.02920	2.2
123.04374	2.0
124.03925	7.0
125.04318	2.7
127.03905	3.3
130.06493	1.9
133.10127	2.0
135.04391	2.1
141.01833	3.8
145.04965	1.9
146.11732	4.5
147.04405	11.8
148.04686	8.7
149.05981	4.3
151.03903	6.9
151.11186	3.0
159.09174	2.5
159.11320	3.6
161.02298	2.6
165.01851	9.7
167.14252	2.3
183.02905	3.1
215.06987	8.8
217.12453	1.8
225.07916	2.0
227.10728	2.3
241.08459	3.6
247.16612	3.2
259.09705	6.8
268.07794	2.6
269.08508	2.7
270.05276	2.3
271.05936	5.8
282.05133	2.7
284.06619	3.4
286.04623	2.6
296.06763	7.9
298.04715	15.4
299.05389	4.1
300.06186	7.5
301.07025	3.4
308.06735	8.9
309.07452	2.6
310.04623	4.5
311.09097	5.5
312.06247	7.1
313.03397	3.5
313.07034	73.0
314.07626	6.1
317.06485	7.5
324.06192	8.4
325.07071	5.9
326.07858	2.4
327.08694	9.5
328.05795	10.3
329.06622	3.3
336.06171	20.2
337.06964	4.1
339.08633	15.8
341.10291	2.6
343.08081	46.2
344.02957	1.8
344.08237	2.3
351.08649	19.1
355.08020	5.8
364.05850	6.2
367.08087	42.2
379.08105	30.1
380.08646	2.5
397.09161	100.0
415.10031	13.6
433.15463	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
55.01752	0.8
55.01981	1.0
55.05383	0.5
55.05607	0.9
57.03514	0.5
67.05299	0.6
67.05608	0.9
68.99605	0.7
68.99905	0.5
69.03220	0.7
69.03538	1.1
70.06735	1.3
71.74432	0.7
72.07927	0.6
72.08275	1.1
73.03049	0.7
74.02486	0.5
74.06194	0.6
74.14831	0.5
79.01994	0.5
79.05609	0.6
81.03582	1.8
81.07186	0.5
83.05096	0.7
84.04644	0.5
84.08270	0.9
85.02518	0.9
85.03069	2.4
85.07796	0.5
86.09875	2.0
91.05630	1.3
93.07185	0.8
95.05093	0.9
95.08756	0.4
97.03011	1.1
97.06709	1.4
98.97718	1.2
106.78835	0.5
107.05071	0.6
109.03060	2.2
111.04539	0.8
115.05601	0.7
116.98747	1.1
119.05125	3.7
120.08268	1.1
121.02101	1.3
121.03053	11.1
121.10287	0.7
122.82246	0.5
126.80453	0.5
127.04109	1.0
129.10405	0.8
134.99983	0.6
135.04512	0.5
137.02499	0.7
141.02017	1.8
141.07149	1.0
143.63728	0.5
145.02840	3.0
149.02527	1.4
153.01999	0.7
158.99776	0.6
159.04584	0.6
159.08333	0.6
161.69595	0.5
163.03850	3.3
165.01833	9.3
165.07198	0.5
167.03386	3.0
169.06662	1.4
175.04034	0.7
177.02023	1.3
177.05664	0.9
179.03523	0.9
181.05107	1.0
183.02916	7.0
183.08327	0.6
185.06161	0.6
187.03891	2.7
187.07657	1.2
189.01892	0.7
191.03513	1.0
195.03064	2.1
195.08061	0.7
197.06104	1.0
198.06807	0.9
200.04805	1.8
205.05058	0.8
207.02931	0.6
211.07692	1.1
213.05586	1.9
213.09190	0.9
215.03670	0.9
215.07013	5.0
215.86726	0.5
217.05147	1.5
227.07217	0.7
229.05017	0.7
231.03107	0.6
233.04478	0.7
237.02838	0.6
239.07170	1.2
241.08617	3.5
242.05830	0.7
243.06537	1.0
253.04869	0.6
255.06529	3.2
256.07227	4.1
259.06076	1.3
259.09656	4.1
261.04019	1.8
267.06519	7.8
270.05072	2.6
271.06012	6.7
279.06473	2.1
281.08032	5.9
283.05988	100.0
284.06723	20.4
285.07471	1.8
293.08209	0.6
295.06039	12.8
295.09647	1.9
296.06506	0.6
297.04129	1.2
297.07489	9.5
301.09488	1.0
305.08014	2.2
307.06030	2.6
308.06729	2.1
309.03979	1.5
309.07498	17.7
310.07678	0.7
311.05328	1.7
311.08749	0.6
313.07034	76.0
314.07346	2.0
319.10602	1.2
321.07605	2.6
323.05701	1.2
323.09106	17.0
325.07004	2.1
325.39999	0.7
327.08392	0.7
333.07495	2.5
335.05539	0.7
337.07053	34.9
338.07361	1.1
343.07986	2.1
349.07013	9.7
351.08557	4.5
361.07043	7.3
367.08130	21.6
368.08313	1.2
379.08102	17.8
380.08224	0.8
397.09167	26.8
398.09250	1.0
415.10223	21.7
416.10114	0.7
433.10818	25.4
434.11304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00856	1.0
55.01859	1.1
55.05494	4.3
56.96562	1.1
57.03431	2.1
60.04229	1.4
60.04519	27.0
60.09774	0.9
69.03418	1.8
70.02956	5.5
70.06575	3.3
70.60871	3.6
72.04510	1.2
72.07759	2.0
72.08144	29.3
73.02945	1.0
78.17291	0.8
81.03381	2.0
82.06541	2.0
82.65675	1.1
83.26491	1.0
84.04475	1.2
84.08118	2.6
85.02885	2.3
85.04010	2.4
86.09695	91.9
87.05579	70.0
87.09995	2.2
88.03950	1.1
91.05450	1.2
95.04902	1.1
97.02901	2.0
98.02391	4.4
99.09205	6.4
110.02396	8.5
115.05056	1.7
118.08675	5.6
120.08054	1.2
126.09102	1.3
127.03907	1.5
127.08667	19.7
128.10710	11.6
133.06139	1.8
138.09068	1.4
141.10188	4.3
143.11758	1.2
149.01202	2.0
149.09621	1.2
152.07054	35.5
155.08142	2.6
156.26118	1.1
169.09644	2.4
173.09259	13.3
173.12839	100.0
174.13171	2.1
183.11284	2.5
186.12373	9.8
187.10771	4.8
197.09109	1.3
198.07593	27.3
201.10423	1.5
201.12323	29.5
202.12410	1.1
214.11861	6.3
215.10262	42.6
219.13477	1.1
228.13400	2.3
232.12898	66.0
233.13321	1.5
238.07800	7.0
238.57909	2.9
257.06888	1.8
315.16675	9.8
316.15021	21.9
345.21143	1.4
387.22119	1.6
414.23392	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.05502	2.3
57.03422	3.3
58.22050	1.9
61.02921	2.7
63.91918	1.5
67.05500	2.1
69.03422	12.7
69.07053	1.9
71.04986	6.3
71.74467	3.1
73.02902	3.1
75.20841	1.4
81.03397	14.8
81.07012	2.0
83.04919	1.6
85.02893	67.6
86.09695	6.0
91.05470	57.8
95.04967	2.1
97.02888	30.5
97.06498	3.2
99.04442	42.3
103.03931	82.8
109.02869	19.0
115.03917	2.4
127.03900	100.0
129.07051	2.0
145.04947	63.4
163.06007	57.3
187.06035	5.7
198.18484	3.5
199.07541	3.4
205.07088	2.4
213.09129	3.0
215.06949	2.4
217.08583	7.2
241.08580	6.1
271.08102	5.7
275.40808	2.0
287.05630	2.9
289.09143	5.4
307.10184	9.2
432.19009	2.5
433.15115	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.01868	5.7
55.05504	12.9
57.03415	3.1
65.03914	1.3
67.05184	1.5
67.05501	18.2
69.03419	2.9
69.07053	9.2
69.48531	5.8
69.48956	4.3
71.04969	1.8
77.05909	1.0
79.05486	23.7
81.03410	100.0
81.07046	15.9
83.04972	7.8
83.08621	11.2
91.05470	33.0
91.06033	2.0
93.07032	14.6
95.04953	17.7
95.08586	8.7
97.02843	1.4
97.06532	4.9
97.10145	5.8
103.05476	1.9
105.07018	15.5
107.04943	11.1
107.08554	6.6
109.06491	3.1
109.10140	4.0
109.85309	1.0
111.04425	1.3
111.08067	4.3
115.05437	2.0
116.03735	1.0
117.06998	10.3
119.08573	25.0
120.59339	1.0
121.06490	10.7
121.10127	3.9
123.04407	2.1
123.08067	3.5
125.06009	2.4
125.09602	4.8
128.06203	2.8
129.06976	11.5
131.04878	4.1
131.08542	8.9
133.06461	6.2
133.10118	4.0
135.08022	3.5
135.11723	1.2
137.06041	1.6
137.09590	15.5
141.06972	4.6
142.07683	1.3
143.07013	3.0
143.08536	3.7
144.05693	2.8
145.06462	12.3
145.10097	4.2
147.04413	2.5
147.08051	9.0
147.11664	4.8
147.12744	1.1
149.09613	4.5
154.77014	1.4
155.08505	3.0
157.06468	3.0
157.10150	7.7
159.08047	4.6
159.11700	1.7
161.05937	1.8
161.09592	4.3
163.11153	1.9
165.09114	19.8
167.08513	1.8
169.10072	5.0
171.08049	4.4
171.11696	2.7
173.09607	1.6
175.07541	1.3
175.11179	6.7
177.09018	1.5
181.08730	1.2
181.10141	3.4
183.08061	2.2
183.11604	1.2
185.09567	3.4
185.13228	1.6
187.11185	3.9
189.09067	1.8
189.11220	1.8
193.12236	23.3
195.08200	1.6
195.11751	2.5
197.09630	1.5
199.11172	4.2
203.10651	1.9
205.12112	1.8
209.09567	2.3
211.11124	2.0
213.12808	2.1
215.10616	1.5
221.11662	1.3
225.12665	2.5
227.10663	16.0
231.13779	1.7
237.12845	1.4
241.12265	1.9
245.11765	2.9
249.14850	1.2
253.12440	1.2
255.13782	3.0
259.13251	1.6
261.14804	1.9
267.15857	1.7
271.13223	1.2
273.14896	9.4
293.18918	2.1
303.17508	2.3
311.20020	7.5
321.18439	10.9
329.21133	8.7
332.06204	1.1
333.16821	1.5
339.19534	36.6
340.19775	1.4
357.20529	26.9
357.24893	1.7
375.21588	2.8
413.23169	5.4
431.24265	60.5
432.24606	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
52.93125	0.7
53.03938	4.7
55.01864	7.9
55.05503	21.8
57.03425	5.3
59.05006	0.7
62.28371	0.6
65.03936	2.7
67.05495	33.4
69.03419	5.0
69.07056	12.3
69.41465	7.0
71.04987	3.4
71.22627	0.6
73.06560	1.0
77.03965	0.8
79.04793	0.8
79.05483	37.1
81.03407	100.0
81.07041	23.9
81.07529	0.9
82.03719	0.7
83.04964	7.7
83.08611	10.9
85.02888	1.6
85.06535	2.1
90.19904	0.7
91.05463	52.8
92.05769	0.9
93.07031	21.7
93.53833	0.6
95.04953	21.4
95.08591	13.0
97.02896	1.6
97.06518	8.5
97.10150	10.2
97.10716	1.0
99.04426	0.7
99.08083	1.1
103.05467	2.9
105.03379	1.8
105.07013	22.5
107.04934	15.4
107.08576	13.3
109.02854	1.6
109.06506	6.7
109.10142	6.7
111.04429	1.4
111.08077	3.9
113.05994	1.4
115.05452	3.2
116.06248	0.7
117.07006	11.9
119.04943	2.1
119.08566	32.8
121.05676	1.3
121.06486	12.1
121.10125	5.4
123.04439	3.9
123.08043	4.7
123.11684	1.4
125.02426	0.9
125.05985	3.1
125.09612	7.5
125.20420	0.7
128.06183	3.8
129.06992	13.2
131.04898	4.7
131.08553	11.4
133.06471	6.9
133.10115	8.9
135.04385	1.5
135.08049	6.7
135.11678	1.3
137.05896	1.2
137.09586	13.5
139.20738	0.7
141.07001	5.2
142.07803	2.7
143.07004	2.1
143.08531	6.7
144.05734	1.7
144.09271	0.8
145.06483	12.9
145.10109	5.3
146.17116	0.8
147.04369	4.9
147.08020	12.2
147.11659	6.7
149.05928	1.7
149.09584	3.6
151.07593	1.3
151.11142	1.2
153.06969	1.8
153.09125	1.6
154.07845	0.9
155.08513	4.2
157.06433	4.8
157.10130	9.0
159.08037	5.4
159.11685	3.3
161.06030	3.5
161.09592	8.0
163.07535	2.2
163.11179	3.0
165.06976	0.9
165.09093	19.3
165.12775	1.3
166.07758	1.2
167.08571	3.4
169.06479	2.3
169.10086	6.2
171.08003	5.2
171.10310	0.7
171.11664	3.1
173.09613	2.6
175.07457	1.5
175.11142	7.8
177.09053	2.1
177.12698	0.9
179.03459	0.8
179.08589	1.6
181.06448	1.6
181.10063	3.4
183.08073	3.0
183.11681	3.0
185.09576	5.4
185.13197	1.6
187.11139	5.9
189.09106	3.1
189.11171	3.3
193.10429	0.6
193.12222	17.7
194.10892	0.7
195.08054	1.5
195.11781	1.2
197.09613	2.9
197.13234	1.6
199.11188	5.7
201.12752	2.0
203.10655	2.8
205.10287	0.9
205.12222	2.2
209.09599	3.3
211.11128	2.4
211.13120	1.7
213.09055	1.3
213.12762	2.9
215.10774	1.4
219.13847	0.9
221.11595	1.8
223.11255	1.7
225.12761	1.7
227.10634	12.5
227.14201	1.6
231.10191	2.2
231.13736	2.0
237.12784	1.5
241.12294	2.3
243.13864	1.6
245.11691	3.2
245.15410	1.1
249.14883	1.8
253.12103	0.8
255.13686	3.4
259.13297	2.2
267.15860	3.6
273.14835	6.5
281.14386	0.7
293.18961	2.2
299.05527	1.8
303.17432	2.5
311.16595	1.3
311.20004	6.7
313.03415	2.0
313.07114	3.1
321.18491	8.5
327.08652	1.6
329.21106	8.1
333.16806	1.9
336.06360	1.2
339.19504	35.5
340.20081	1.2
341.10153	0.8
347.18420	1.0
355.07993	2.3
357.09549	0.8
357.20535	29.6
358.20871	1.8
369.09665	1.4
375.21741	3.7
385.23428	1.1
395.22089	1.4
399.10672	1.7
403.24786	1.8
413.12329	1.8
413.23074	4.9
431.24231	78.1
432.24597	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1333
Annotation	7,4'-Di-O-Methylisomollupentin
Peak:m/z	Relative Intensity
55.01845	1.9
55.05494	1.2
59.04964	0.7
65.03922	1.0
65.26892	0.6
67.05499	2.9
68.99800	0.8
69.03412	6.0
69.07028	1.2
70.80617	1.9
79.05452	2.2
81.03375	2.0
81.07016	2.8
83.04925	1.0
87.74481	0.6
91.05455	2.6
93.03423	0.6
93.07018	1.6
95.04935	2.2
95.08560	1.8
97.06518	1.0
105.06975	1.4
109.02901	0.6
109.06499	0.8
109.10100	1.2
117.07042	0.9
119.08537	1.2
121.06433	1.0
122.54685	0.6
123.08040	1.5
125.09564	1.1
129.06879	0.6
131.08531	0.9
133.10062	1.2
134.03658	0.7
137.02275	1.3
141.01776	1.4
143.08485	1.1
147.04347	0.9
149.05933	2.8
151.03896	5.4
151.07481	1.4
154.41098	0.7
155.08604	0.7
157.10077	1.0
161.09531	0.8
163.11137	0.9
165.01813	13.4
165.09047	1.0
174.49117	0.7
175.03870	3.0
179.03325	4.3
183.02878	7.2
187.11108	0.9
189.01828	1.0
191.03273	1.0
193.04982	0.7
203.03378	2.1
207.02823	1.6
209.04395	1.5
216.83098	0.7
221.04353	1.0
229.04881	0.9
247.06073	1.1
259.05954	2.3
262.61935	0.6
263.36526	0.7
270.05182	6.7
280.07333	2.2
282.05188	1.1
282.08859	0.6
284.06760	11.1
285.07288	1.0
286.04684	3.1
290.05804	0.6
296.06741	6.7
297.07269	0.9
298.04739	29.7
298.08252	4.5
299.05267	1.7
300.06461	1.0
301.07028	21.8
302.07492	0.6
308.06763	17.4
309.07285	2.3
310.04834	1.2
310.08316	4.9
311.09045	1.6
312.03229	0.6
312.06210	20.8
313.07016	100.0
314.07462	4.1
320.06717	1.1
323.09058	3.8
324.06256	9.2
324.09784	1.0
325.06967	4.6
325.10489	1.4
326.07803	9.0
327.05142	2.1
327.08563	49.6
328.08929	1.9
334.08206	2.9
336.06244	34.2
337.06857	6.9
338.07819	9.1
339.08578	20.9
339.12558	1.5
339.19583	2.6
341.10120	15.5
351.08578	49.0
352.09198	3.6
353.10175	17.7
353.14301	1.4
354.10214	0.7
357.09604	23.2
357.20526	2.3
358.10065	1.3
362.07739	3.0
367.11761	6.6
369.09656	48.8
370.09967	2.5
377.10147	5.0
380.08966	0.9
395.11194	53.1
396.11694	2.4
413.12262	82.0
414.12659	4.2
431.13339	13.8
431.24115	5.8
432.13815	0.8
450.67062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74310	0.7
52.18702	0.7
53.03933	2.4
55.01868	16.7
55.05506	4.1
57.03415	2.2
58.99561	1.7
61.02906	0.8
64.42950	0.5
65.03928	1.2
67.05496	7.2
69.03412	2.2
69.07052	3.5
71.04964	0.7
71.54550	1.4
73.02913	0.9
75.04436	0.7
79.05072	0.9
79.05486	10.7
81.03410	24.6
81.07050	5.4
83.04960	2.0
83.08589	3.3
84.02560	0.6
85.01112	1.5
85.02893	1.4
91.05465	11.1
93.07036	7.0
95.01334	0.9
95.04955	6.2
95.08584	3.1
97.02821	1.2
97.06496	2.9
97.10159	2.9
103.02133	0.9
105.00052	1.1
105.03391	0.7
105.07015	6.2
107.04961	4.2
107.07906	1.0
107.08587	11.3
109.02851	2.8
109.06485	2.0
109.10159	1.7
110.03661	1.3
111.04427	2.0
111.08025	0.8
115.05415	1.0
116.58923	0.7
117.06993	2.8
119.04940	0.9
119.08557	7.5
121.06474	3.1
121.10114	2.9
122.05177	0.7
123.04395	2.6
123.08045	1.1
124.05127	0.8
125.00586	0.7
125.05995	4.7
125.09591	2.1
128.06207	1.1
129.07007	3.5
131.04898	1.7
131.08534	3.0
133.06458	2.1
133.10123	2.7
134.03600	1.0
135.08014	3.5
135.11688	9.3
137.05925	1.8
137.09579	4.7
138.06764	0.9
139.02100	0.8
139.03864	0.8
139.07529	1.2
141.00023	2.6
141.01779	1.4
141.06989	1.0
143.07016	1.1
143.08498	1.9
145.06462	2.8
145.10112	1.5
147.04382	1.5
147.08017	2.9
147.11697	1.4
149.02536	0.9
149.09579	1.1
151.07574	0.8
152.04652	2.7
153.01814	2.7
153.05450	6.0
154.06229	19.2
155.08488	1.1
156.02391	1.5
157.06453	1.5
157.10091	2.2
159.07950	1.1
159.11679	1.3
161.05986	1.2
161.08231	0.7
161.09550	2.2
163.07559	1.2
163.11162	5.5
165.01828	0.8
165.05368	1.3
165.09117	3.9
166.00824	1.2
167.07047	15.4
167.08423	1.2
168.07657	0.9
169.08617	10.0
169.10023	1.3
171.04814	1.3
171.08076	1.1
171.11665	1.2
173.09679	0.8
175.11195	2.0
177.09019	0.7
181.10042	1.4
181.12273	2.9
183.01135	6.6
184.01836	4.5
185.09612	1.2
187.11076	1.5
189.09006	1.3
189.11107	0.7
189.12711	0.9
191.07045	1.0
193.12212	5.8
195.06438	1.5
195.08028	1.1
198.03438	40.5
199.04219	53.0
199.11176	1.5
205.12148	0.7
209.09720	0.8
211.11066	0.9
211.66133	0.8
213.05779	42.1
222.08885	1.4
223.09613	1.7
227.10689	4.6
227.14197	0.9
229.12228	0.8
234.11995	1.5
240.04338	1.4
241.12373	0.8
245.11713	1.6
255.06831	100.0
256.07172	3.4
257.11984	0.9
259.13303	1.2
269.08026	1.5
273.14828	2.1
287.05676	1.8
293.19128	0.9
298.04742	1.8
299.05472	2.5
311.05414	1.9
311.20032	3.0
313.03363	3.0
313.06921	1.5
321.18439	4.7
326.04007	1.1
327.04932	0.9
329.06604	1.3
329.20999	3.2
339.08676	1.0
339.19531	10.7
341.10654	0.9
355.08023	5.1
357.20618	9.3
381.09558	0.9
395.07614	2.6
399.10699	1.4
413.23309	1.7
431.24258	19.8
456.93799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.01859	1.7
55.05480	0.9
57.03395	0.9
65.03904	0.4
67.01826	0.3
67.05491	1.8
68.99764	1.3
69.03395	1.4
69.07018	0.8
71.04957	0.9
71.74735	0.3
72.08141	1.3
79.05452	1.3
81.03405	2.9
81.07013	1.3
82.16706	0.2
82.80773	0.3
83.04944	0.4
83.08532	0.4
85.02871	1.1
86.06041	0.3
86.09689	1.5
87.04420	0.6
88.69420	0.3
89.03886	0.6
91.05444	2.2
92.99726	0.4
93.03364	0.7
93.06997	1.0
95.04948	2.0
95.08580	0.7
97.02852	0.8
97.06503	0.8
99.04413	0.6
105.03362	0.4
105.07005	0.9
107.04916	1.0
107.08562	0.8
108.76836	0.3
109.02847	0.9
109.06524	0.4
109.10132	0.5
111.04387	0.5
116.10703	0.4
117.03329	0.4
117.07014	0.4
119.04868	0.3
119.08535	0.9
121.02808	0.9
121.06436	0.5
121.10082	0.3
123.04402	0.4
123.08039	0.4
125.09512	0.3
127.03870	1.4
131.04860	0.5
131.08499	0.5
133.02823	0.6
133.10085	0.7
134.03473	0.3
135.04396	4.8
135.08018	0.4
137.02319	7.3
137.03354	0.7
137.09619	0.6
141.01790	4.4
145.06467	0.5
145.10088	0.3
146.11723	0.5
147.04378	0.7
147.08006	0.5
149.02274	1.3
151.03831	1.0
153.01822	2.8
154.01930	0.3
155.03355	0.4
155.08470	0.4
157.10155	0.3
159.04430	0.3
159.07991	0.3
159.11310	0.5
161.02328	3.7
161.05939	0.4
161.09459	0.3
163.03859	3.8
163.07512	0.3
165.01810	19.5
165.07004	0.4
165.09006	0.4
166.02235	0.3
167.03384	2.9
169.05054	0.3
169.06441	0.3
171.07941	0.4
173.09430	0.3
177.01816	1.9
177.05377	0.6
179.03372	5.5
181.04906	1.1
183.02870	12.9
187.03882	2.2
187.10921	0.5
189.01796	2.0
191.03334	1.5
193.01270	0.4
195.02815	1.5
195.06573	0.3
197.00740	0.4
197.04369	0.4
203.03342	0.8
205.01262	0.5
205.04912	1.0
207.02855	1.2
215.03426	0.8
215.06952	0.4
227.07076	0.5
230.17403	0.4
233.04448	0.7
245.04436	1.4
245.18678	0.4
255.06465	0.8
261.03867	0.6
263.05521	0.4
269.04440	0.5
269.07721	0.3
271.05957	1.1
272.06775	0.8
281.04276	0.4
283.05984	4.9
285.03925	0.7
285.07367	0.5
286.04782	1.3
287.05444	16.6
288.05759	0.7
295.05972	7.1
296.06424	0.8
297.04269	0.6
297.07510	13.9
298.04596	1.1
298.07721	0.5
299.05447	100.0
300.06097	10.4
301.06754	0.8
310.04651	2.7
311.05484	21.8
311.09030	2.0
312.05994	1.3
313.03391	3.5
313.07013	16.1
314.07349	0.7
321.07468	2.3
323.05441	16.5
324.06177	4.0
325.03510	1.7
325.06989	24.9
326.04071	0.7
326.07425	1.3
327.04996	7.1
327.08643	1.5
328.05731	1.5
329.06491	22.0
330.06821	0.8
337.06744	0.4
339.04855	7.5
339.08612	20.0
339.19516	0.9
340.08862	1.2
341.06494	3.7
349.07031	5.8
351.04916	4.8
351.08667	1.1
352.05573	0.9
353.06479	12.2
353.09708	0.5
354.06616	0.4
355.08054	3.0
357.05984	0.8
357.20651	1.2
367.08072	27.4
368.08353	1.7
369.05957	6.7
369.09369	0.3
377.06488	3.7
381.09454	1.0
385.09103	6.1
386.09338	0.5
387.07172	0.5
395.07550	49.9
396.08078	2.3
399.10699	1.1
413.08585	43.1
414.08936	2.9
431.09558	5.2
431.18640	0.6
431.24048	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0968
Annotation	Derhamnosylmaysin
Peak:m/z	Relative Intensity
50.82400	0.2
53.03917	0.7
55.01868	1.1
55.05468	0.3
57.03397	1.1
60.33000	0.3
65.03905	0.5
67.01841	0.4
67.05453	0.8
68.99761	1.1
69.03429	1.3
69.07032	0.5
70.09966	0.6
70.10364	0.5
71.04955	0.6
75.20707	0.2
79.01817	0.4
79.05460	0.9
81.03403	2.4
81.07008	0.8
83.04953	0.4
84.08096	0.3
85.02858	0.6
86.09698	1.1
89.03879	0.3
91.05444	1.3
92.99778	0.2
93.03363	0.7
93.06992	0.5
95.04968	1.3
95.08543	0.4
97.02873	0.5
97.10155	0.3
99.04442	0.5
103.05417	0.3
105.03354	0.5
105.06962	0.4
107.04932	0.6
109.02842	0.7
111.04427	0.7
111.07980	0.3
113.99062	0.2
117.03279	0.4
117.06992	0.4
119.04890	0.5
119.08540	0.9
121.02824	1.0
121.06456	0.3
123.00784	0.5
123.04335	0.3
127.03847	0.9
129.06956	0.4
131.04883	0.7
131.08487	0.4
133.02795	0.4
135.04396	3.9
137.01273	0.6
137.02318	9.1
137.03366	0.3
141.01790	3.9
145.02711	0.3
147.04401	0.5
149.02324	1.2
149.05994	0.2
151.03860	0.8
153.01842	1.1
161.02333	4.0
163.03870	2.9
165.01813	18.7
166.02209	0.4
167.03360	3.9
177.01830	1.8
177.05382	0.4
179.03369	5.5
181.01279	0.8
181.04924	0.9
181.06367	0.3
183.02867	11.8
184.03294	0.3
187.03873	1.2
189.01779	2.1
189.05370	0.5
191.03311	0.9
193.12140	0.4
195.02849	1.4
197.00850	1.2
197.04404	0.3
203.03371	0.7
205.01324	0.4
205.04947	0.9
207.02820	1.3
215.03381	0.7
223.02354	0.4
233.04428	0.6
235.02328	0.4
239.07056	0.4
241.08406	0.3
245.04413	1.9
251.05513	0.4
252.18857	0.3
254.05852	0.4
255.06546	0.9
257.04697	0.3
257.07736	0.2
258.05164	0.5
261.03833	0.5
263.05411	0.3
269.04001	0.2
270.05185	0.3
271.06000	1.1
272.06750	0.7
273.14673	0.3
283.05951	5.5
285.04074	0.3
285.07422	0.5
286.04660	2.2
287.05450	14.3
288.05692	0.5
289.03403	0.4
293.08069	0.4
295.05972	6.6
296.06635	0.6
297.04272	0.5
297.07523	10.5
298.04715	0.6
298.07889	0.4
299.05450	100.0
300.06070	10.6
301.06815	0.5
307.05832	0.5
310.04742	1.6
311.05478	17.7
311.09030	1.9
312.05817	1.2
313.03409	3.4
313.06918	18.3
314.07526	1.2
315.04935	4.8
316.05264	0.4
321.07538	2.6
323.05441	14.7
324.06134	3.6
325.03433	2.1
325.06973	18.3
326.03937	0.4
326.07361	0.7
327.04926	8.1
327.08655	1.9
328.05539	0.9
329.06497	31.2
330.06766	1.7
337.06860	0.3
338.07904	0.3
339.04855	7.1
339.08612	23.7
340.05374	0.6
340.08987	1.4
341.06488	6.2
342.06958	0.4
349.07010	5.3
350.07401	0.3
351.04907	4.5
351.08633	0.6
352.05563	0.7
353.06485	8.3
354.06805	0.6
355.04398	0.5
355.08261	0.6
357.05872	1.1
357.20618	0.3
359.07422	0.6
367.08069	21.9
368.08374	1.0
369.05988	22.1
370.06320	1.1
377.06488	3.5
378.06668	0.4
385.09122	4.0
386.09628	0.3
387.06976	1.7
395.07559	44.1
396.03024	0.4
396.07825	2.4
413.08597	42.4
414.08841	2.9
431.09653	4.2
431.19052	1.2
431.23499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
53.32539	0.4
55.01848	1.6
57.03418	1.1
66.69743	0.4
67.05476	1.2
68.05882	0.5
68.99776	1.1
69.03405	1.7
71.04979	1.2
72.08119	1.1
79.05474	1.6
81.03397	1.8
81.07049	1.3
81.97173	0.4
85.02888	1.2
86.09686	1.0
91.05466	1.4
91.62022	0.4
93.07033	1.0
95.04938	0.9
97.02893	0.6
98.98466	0.5
99.04446	0.5
105.06973	0.6
106.80901	0.5
107.04919	0.9
109.02867	0.9
109.10120	0.6
111.04425	0.5
117.03321	0.7
119.04955	0.4
119.08516	0.6
121.02855	0.8
123.04418	0.6
127.03898	1.5
131.04945	0.8
133.10136	0.6
135.04379	4.9
137.02328	7.0
137.06073	0.5
137.09671	0.7
141.01822	2.8
143.04883	0.5
147.04372	0.5
149.02284	0.8
149.09630	0.5
151.03870	1.1
153.01791	1.8
161.02325	3.7
163.03885	4.2
165.01819	19.7
166.58418	0.5
167.03392	2.8
177.01814	1.3
177.05415	0.6
179.03375	5.5
181.04922	1.9
183.02867	12.0
184.64265	0.4
187.03862	0.8
189.01826	1.3
189.05426	0.5
191.03386	0.9
192.09349	0.4
193.12032	0.6
195.02882	1.4
199.11270	0.5
203.03369	0.9
205.04982	1.0
207.02901	0.7
209.04474	0.6
223.02368	0.7
233.04482	0.8
239.06935	0.6
243.02940	0.6
245.04372	1.3
255.06697	0.8
271.05942	1.2
272.06839	0.8
283.05991	5.6
286.04712	1.9
287.05472	14.0
288.05685	0.8
295.05939	7.2
297.04187	0.8
297.07532	12.1
299.05457	100.0
300.06107	9.3
301.06857	0.8
310.04703	3.0
311.05469	22.2
311.09012	1.4
312.05865	1.1
313.03406	1.8
313.06979	18.2
314.07315	0.9
315.04752	0.5
321.07523	2.7
323.05447	17.8
324.06186	3.8
325.03531	1.9
325.07004	27.6
326.07379	1.7
327.04910	6.7
327.08664	2.3
328.05649	1.4
329.06506	22.8
330.06754	0.7
337.06888	0.5
339.04852	6.9
339.08618	21.4
339.19443	1.0
340.08887	1.2
341.06485	4.5
349.06970	6.1
351.04913	6.1
351.08646	1.4
353.06537	12.5
354.06583	1.0
355.08057	0.6
367.08081	29.1
368.08395	1.1
369.05984	9.3
369.09705	0.5
377.06818	3.0
385.09113	5.9
395.07562	48.1
396.08066	2.6
413.08612	46.5
414.08939	2.3
431.09616	5.2
431.24026	1.4
454.74475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01863	11.3
55.05496	1.6
57.03432	23.4
57.06830	1.2
57.07068	17.1
59.04977	4.2
61.02918	17.1
63.04163	1.6
63.04480	22.0
67.05487	1.1
69.03419	38.9
70.06592	5.1
70.69682	3.4
71.01334	5.8
71.04963	1.3
72.08130	1.9
72.27169	1.0
73.02908	100.0
73.04736	1.2
74.03234	1.0
81.03409	7.0
83.04972	1.2
83.47647	0.9
84.04467	1.5
84.08128	1.6
85.02894	91.2
86.03175	1.0
86.09703	7.3
87.04455	6.0
88.63334	0.9
91.03955	5.2
97.02882	68.9
98.20860	1.2
99.04425	4.3
101.02350	1.1
101.09660	1.5
103.03924	3.8
109.02856	7.3
114.60399	1.0
115.03919	39.1
119.10683	94.0
120.11045	1.3
121.10077	1.2
123.04411	1.5
127.03899	25.2
129.10204	1.1
133.04947	38.0
143.11761	1.1
145.04944	37.3
150.07593	1.5
151.03816	1.1
156.03484	1.1
163.06000	12.5
193.04944	2.4
199.05923	1.4
207.13757	1.5
215.12738	2.3
217.07036	1.6
223.05905	6.1
241.06990	8.0
245.98579	0.9
250.18016	3.3
251.14893	2.9
259.08069	9.8
277.09171	2.5
281.15820	1.4
295.10236	3.4
430.15021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.3
55.01867	9.9
57.03436	5.9
60.04521	1.7
61.02925	5.8
68.99781	5.2
69.03419	31.0
69.68609	6.8
71.01347	1.1
71.04990	6.8
73.02902	12.0
81.03407	35.2
85.02895	100.0
87.00817	34.7
91.03939	3.5
97.02878	37.8
98.06060	1.2
98.20779	2.0
99.04441	19.8
103.03911	1.5
105.01852	35.8
108.04444	10.2
109.02863	35.5
115.03936	1.3
117.01828	4.9
124.05135	1.0
126.05505	4.7
127.03898	77.9
128.04237	1.3
129.01851	5.3
137.05937	3.5
143.96083	0.9
145.04948	43.8
147.02846	5.5
151.11946	0.9
157.06444	1.3
159.02866	28.4
159.11646	3.8
165.09084	2.5
177.03995	1.7
187.07611	1.0
189.08984	4.5
213.03931	3.3
230.06575	3.3
231.04971	16.6
231.10065	2.9
233.15472	1.2
248.07571	4.8
251.16441	1.7
273.11230	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.6
55.05500	0.9
57.03430	32.5
57.07064	14.4
59.04997	0.8
61.02638	1.1
61.02921	10.8
63.04483	17.6
67.05486	1.9
68.04974	0.8
68.63651	0.7
69.03421	29.8
69.07072	1.6
69.67300	6.0
70.06589	8.9
71.01344	4.4
71.04987	1.2
72.08142	3.7
73.02906	67.7
74.03197	0.8
79.05473	1.1
81.03410	4.3
81.07013	1.0
82.31263	0.9
84.04472	1.8
84.08121	3.2
85.02894	42.0
86.09692	9.0
87.04451	2.8
91.03948	1.8
91.05769	2.4
91.80254	0.7
93.07020	1.4
97.02879	54.1
98.03207	0.8
98.21464	0.8
99.04425	2.3
102.77299	0.8
106.06541	2.0
109.02871	3.9
115.03914	39.6
119.04913	1.0
119.10680	100.0
120.08134	0.8
120.11001	1.8
123.04251	0.8
127.03896	15.4
129.10201	1.8
132.06595	1.1
133.04967	10.2
135.11726	0.8
136.06149	2.8
145.04955	14.2
147.04375	2.8
148.04611	1.0
150.07594	1.8
152.46907	0.8
158.63388	0.7
163.05984	2.7
193.04948	1.1
223.05956	4.8
229.15546	1.6
236.13583	0.8
241.07069	4.3
251.14771	1.5
259.08145	2.7
261.09717	0.9
281.15918	1.4
292.20688	0.8
295.10208	2.5
299.05472	1.4
353.06488	1.0
360.02365	1.5
431.18958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	20.6
57.03436	5.3
60.04508	4.4
65.03939	2.7
65.10134	2.5
69.03426	4.4
69.07059	4.3
70.06571	12.9
70.64105	3.0
70.64452	10.8
72.08138	6.8
73.04729	3.1
77.03931	9.1
79.05472	10.6
81.03382	4.6
84.04499	10.9
84.08122	16.0
85.02894	64.7
86.09695	82.6
86.10196	5.2
87.05602	2.7
91.05378	18.4
93.33102	2.7
95.04958	7.1
97.02869	4.9
97.06508	5.2
99.04449	4.1
103.05463	7.7
105.03381	5.4
107.04942	5.2
115.05444	34.7
116.06256	5.7
117.07034	17.2
119.04943	6.3
119.07092	2.6
126.09112	3.0
126.40891	2.7
128.06247	6.5
129.10196	5.2
130.18719	2.5
131.04936	8.8
131.08565	3.7
133.06047	13.4
141.06998	20.2
142.07431	3.2
143.04944	5.6
144.05734	4.5
145.06453	8.3
157.13342	3.2
159.08095	3.2
161.05998	8.6
167.05563	3.7
169.06488	11.2
173.05927	13.3
187.07254	11.8
199.18034	15.0
204.09758	18.7
215.07004	100.0
227.17511	14.8
233.08064	33.7
297.78516	3.4
298.21286	4.4
360.02802	3.8
420.85052	3.2
430.11511	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73587	1.2
51.02370	1.5
55.01857	2.7
55.05482	1.3
57.03434	1.6
59.97771	1.1
61.02911	3.3
63.02390	1.5
65.03932	70.8
68.59334	1.1
69.03424	10.4
69.07030	1.6
70.06586	8.2
71.05009	3.3
71.05447	2.3
72.08150	11.0
73.02901	3.4
73.04748	1.1
79.01827	2.7
81.03413	3.4
82.14561	1.2
83.04972	1.4
84.04507	2.5
84.08130	3.6
85.02896	20.7
86.09695	11.1
91.05457	84.8
92.05777	2.1
93.03371	2.0
95.04965	2.2
97.02883	17.3
97.06476	1.4
101.07095	1.9
102.11514	1.1
105.07074	1.5
107.04928	1.6
113.43212	1.1
115.03903	2.2
115.05438	21.1
116.06205	1.7
117.07007	2.9
119.04926	100.0
120.05273	2.3
121.06562	1.4
127.03919	3.9
127.88388	1.1
128.06210	9.2
129.06897	2.0
129.10228	3.8
131.08539	5.3
134.13905	1.4
135.04298	1.2
141.06970	28.3
142.07689	1.4
144.05681	2.4
145.04962	7.9
145.06375	5.7
155.04855	1.6
156.05655	3.9
159.08055	4.6
163.05988	2.6
167.05560	1.6
169.06461	9.1
170.67795	1.3
173.05923	3.0
187.07480	7.7
215.07074	3.9
228.13417	2.3
233.08063	1.9
360.02667	1.8
361.02530	1.8
418.65228	1.3
430.16733	1.4
453.46005	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3724
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
54.29345	0.7
55.05503	1.7
56.69529	0.7
57.07069	18.1
67.05482	4.7
69.07052	4.2
69.56075	6.5
71.08619	11.2
79.05490	0.9
80.63686	0.8
81.07047	7.6
83.08595	3.3
85.10178	5.7
91.05455	2.0
93.07024	1.8
94.31416	0.7
95.08590	5.5
97.10152	2.0
99.11724	1.0
105.07005	1.9
107.08599	5.4
109.10135	5.1
111.04374	0.8
111.11719	1.7
119.08558	2.8
121.06454	1.2
121.10130	2.8
122.07278	1.3
123.08045	1.4
123.11688	1.0
130.07735	1.0
131.08524	2.4
133.10051	1.0
135.08031	5.7
135.11719	2.1
137.09615	8.8
139.07495	2.3
145.10114	1.3
147.11691	0.8
149.09596	12.5
151.07530	1.5
154.27228	0.8
159.11688	2.6
161.09544	1.2
162.06758	0.9
163.07518	0.8
163.11171	20.4
165.09096	100.0
166.09422	1.5
172.08940	0.8
173.09596	2.5
173.13266	1.5
174.50858	0.6
175.11176	6.0
176.08296	1.5
177.09096	11.9
177.12733	2.6
179.10707	1.9
187.11194	2.8
189.09122	1.1
189.12706	1.6
190.09651	1.3
191.10648	10.6
193.12228	0.8
200.12065	0.9
201.12714	2.3
203.10646	1.8
203.14258	1.5
204.11427	1.2
205.12221	12.0
207.13858	1.0
215.14272	2.1
219.13794	5.5
229.15820	0.8
233.15334	2.4
241.08766	0.8
247.16867	1.8
261.18521	1.7
275.20151	1.3
289.21573	2.0
303.23132	1.8
317.24863	1.2
331.26434	0.8
345.28110	1.0
373.31003	1.7
401.34149	3.1
411.36188	3.1
414.35681	0.8
415.28571	0.8
429.37244	46.2
430.37735	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.2
55.01855	12.3
55.05504	20.8
55.96346	2.8
57.03429	25.9
57.07056	7.6
58.07396	2.4
61.02913	31.3
67.05492	29.5
69.03417	34.5
69.07050	8.6
69.83916	16.3
70.03769	3.4
70.06586	16.6
71.01324	8.5
71.04978	10.9
72.08134	2.4
73.02908	18.3
79.05479	26.1
81.03400	100.0
81.07041	33.9
82.03735	3.5
83.01324	3.5
83.04964	13.1
83.08608	20.0
84.08103	4.2
85.02888	64.6
86.03233	7.1
86.09690	43.4
87.00797	12.1
87.04481	3.6
89.06012	18.0
90.06370	6.2
91.03924	12.1
91.05409	28.3
93.07027	25.7
95.04946	77.1
95.08579	14.3
97.02878	46.5
97.06509	7.7
97.10134	7.6
98.03242	3.6
99.04453	12.9
101.02364	7.4
101.09642	7.6
103.03934	9.6
105.01857	7.2
105.07016	24.8
107.04961	19.5
107.07055	22.4
107.08562	19.4
108.07421	5.6
109.02838	27.9
109.06503	9.4
109.10130	6.3
110.03197	6.3
111.04430	8.4
111.08070	9.8
115.03960	3.2
117.07002	8.5
119.04911	4.0
119.08571	20.9
121.02880	2.8
121.06483	14.4
121.10136	7.7
123.04410	43.9
123.05256	4.0
123.08114	3.4
123.11710	3.0
125.06977	2.6
125.09614	7.7
127.03868	30.0
128.04265	5.7
129.06978	10.9
129.10217	7.7
131.04897	6.2
131.08554	14.0
133.06468	10.3
133.10112	10.5
133.95001	3.0
134.12544	2.5
135.04381	5.7
135.08006	6.8
135.11653	7.0
137.05933	6.8
143.08524	6.1
145.04948	5.9
145.06456	7.1
145.10109	11.9
146.05173	3.8
147.04405	13.9
147.08066	5.7
147.11679	15.8
149.05978	4.8
149.09596	5.6
153.09126	2.9
155.08411	4.7
157.10098	10.8
159.02843	5.2
159.08037	2.5
159.11639	3.9
161.05948	6.2
161.09619	3.3
161.84261	2.7
163.11192	21.4
163.13264	44.2
164.13623	39.9
165.12764	4.2
167.05533	4.9
171.11646	5.3
173.09601	6.9
175.11191	8.0
183.06493	3.2
187.11151	3.5
189.05435	6.5
189.12749	7.1
191.10645	2.8
193.12212	32.6
199.18158	4.5
201.05487	2.6
203.05324	2.8
205.12140	6.9
207.13644	7.0
211.13222	30.2
217.12244	9.7
235.13240	56.8
247.13524	2.9
249.14842	9.8
253.14267	4.4
259.13251	14.0
267.12119	7.5
267.15842	32.8
273.14795	24.1
277.14404	6.6
283.13098	4.1
285.16882	3.6
291.15866	2.8
301.14365	17.4
309.16928	26.1
313.06989	9.4
319.15451	5.6
322.08292	4.8
327.04840	3.1
327.08459	6.9
337.06885	4.5
350.07712	6.9
351.08383	4.0
359.02695	7.2
365.10199	9.4
367.08130	8.1
375.18021	17.1
378.07352	13.1
393.09689	56.9
393.18427	12.3
401.96457	3.5
411.10727	9.1
411.20059	10.7
429.16412	39.7
429.21512	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.3
55.01862	9.6
55.05511	17.2
57.03433	19.1
61.02910	12.3
65.03927	3.4
67.05496	29.6
69.03423	28.7
69.07055	9.5
69.49332	28.3
70.06583	7.3
71.01334	4.3
71.04979	8.3
73.02911	10.8
75.80138	2.5
79.05484	37.3
81.02932	5.1
81.03410	100.0
81.07047	31.2
83.04959	16.8
83.08617	17.0
85.02898	26.7
86.09698	6.4
91.03915	7.0
91.05447	35.0
93.07029	22.9
94.45518	2.6
95.04392	4.5
95.04961	66.6
95.08583	10.9
97.02881	38.4
97.03484	5.0
97.06503	6.0
97.10168	6.2
99.04436	9.0
99.73203	2.7
103.03925	9.3
105.07026	23.9
107.04915	14.4
107.08572	15.3
109.02863	21.4
109.06504	10.6
109.10179	4.8
111.04427	9.6
111.08066	9.9
115.05457	3.8
117.06998	12.0
119.04877	4.1
119.08581	19.8
121.06481	10.7
121.10123	9.1
123.04414	28.5
123.08079	5.0
123.11665	3.8
124.51143	2.8
125.08735	3.1
125.09657	3.9
127.03896	16.9
127.17944	2.9
128.50529	3.0
129.05443	5.0
129.06998	12.6
131.04935	4.2
131.08546	17.1
133.06462	4.5
133.10126	11.4
135.04443	2.8
135.08034	4.8
135.11662	9.0
137.05975	4.4
143.08505	3.2
145.06442	5.2
145.10100	10.7
146.37737	2.7
147.04373	10.2
147.08040	8.7
147.11671	21.6
149.05972	5.0
149.09602	7.7
155.80927	2.7
157.05074	2.5
157.10115	7.4
161.05980	3.7
163.11176	19.0
165.12775	7.5
171.11617	3.8
173.09598	6.0
175.11197	11.8
189.05426	3.9
189.12749	6.0
191.10646	6.6
193.12222	35.5
199.11159	5.7
205.12178	4.0
207.13756	8.7
211.11229	4.6
211.13258	50.6
211.70558	2.9
217.12233	7.9
223.13141	3.1
235.13272	57.6
246.14926	4.0
249.14745	6.9
253.14326	3.8
259.13303	10.6
267.15866	19.2
273.14893	18.5
285.16910	9.6
289.14359	3.8
301.14316	18.1
302.95190	2.8
309.16998	22.1
318.99310	2.8
319.15405	6.4
322.97003	3.4
359.02759	4.2
375.17996	12.5
393.18915	9.1
411.20126	11.5
429.21283	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2115
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
51.02374	1.3
53.03938	7.5
55.01866	6.2
55.05502	15.7
57.03426	18.6
59.04980	1.5
61.02892	1.9
65.03922	1.1
67.05495	18.3
69.03417	34.3
69.07037	6.3
70.06573	3.2
70.80283	3.2
71.01342	1.7
71.04982	9.9
72.08134	1.2
73.02905	2.0
75.96056	1.0
79.05477	19.2
81.03403	100.0
81.07038	27.1
82.03733	1.7
83.04965	20.1
83.08606	21.4
84.08120	1.4
85.02893	27.5
85.06488	1.4
86.09696	3.3
87.00810	1.3
87.04465	1.4
91.05447	25.6
93.07034	15.0
95.04950	25.4
95.08606	8.8
97.02875	52.9
97.06503	4.0
97.10143	5.7
99.04449	8.5
101.02364	2.1
103.03936	3.3
103.05492	1.2
104.25983	1.0
105.01886	1.1
105.07016	18.5
107.04296	1.1
107.04913	5.8
107.08556	8.2
109.02863	16.2
109.06509	5.3
109.10118	4.2
111.04419	10.9
111.08064	10.0
113.06010	1.5
115.05450	1.6
117.06996	3.6
119.04963	2.0
119.08556	15.5
121.06492	3.5
121.10139	9.1
123.04395	2.8
123.07996	1.6
123.11691	3.2
125.09612	3.2
127.03894	19.6
129.05473	5.4
129.06972	9.3
131.08542	10.6
133.06447	3.1
133.10114	7.1
135.11696	2.8
137.05884	2.1
137.09596	2.6
137.13297	1.3
142.07802	2.5
143.08549	1.2
145.04955	2.4
145.06490	1.5
145.10107	4.9
147.04515	1.4
147.08031	2.6
147.11671	18.2
149.05956	1.1
149.09598	5.7
157.10132	13.6
159.02921	2.2
159.11729	1.3
159.25366	1.0
161.05994	1.6
163.11172	10.8
165.12749	5.7
167.88791	1.1
171.11555	1.3
175.11133	13.6
181.12189	3.2
183.06523	2.6
189.11177	1.2
189.12769	1.8
191.10652	2.3
193.12212	61.3
194.12558	1.5
201.90379	1.1
207.13820	1.5
211.13261	93.3
212.13617	2.6
217.12251	1.6
223.13361	1.2
227.12733	3.2
229.14395	3.9
231.13785	1.5
235.13248	3.7
249.14900	7.2
253.68793	1.2
267.15921	7.3
273.14789	2.6
277.14151	1.3
285.16913	16.7
289.14185	1.4
301.14117	1.6
309.17041	3.2
313.16373	2.2
319.15390	2.1
337.16449	3.6
355.17429	3.8
359.02768	1.6
393.18970	2.5
409.06323	1.2
411.20154	5.0
429.21176	60.1
430.21484	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.0
55.01874	4.8
55.05501	2.2
56.96537	0.8
57.03425	6.2
61.02901	3.6
67.05478	4.1
68.99757	2.5
69.03422	24.4
69.07045	2.5
69.91550	5.3
70.06571	3.3
71.04975	4.4
72.08135	1.9
73.02907	5.4
73.58036	0.8
79.05470	7.1
81.03407	30.4
81.07041	9.8
83.04958	3.7
83.08607	1.8
84.08116	3.4
85.02895	44.5
86.09680	3.2
87.00816	14.6
87.04431	1.3
91.05389	6.9
93.07036	10.7
95.04398	1.6
95.04956	17.9
95.08588	2.9
97.02300	1.6
97.02875	17.6
97.06505	3.2
98.20660	1.1
99.04443	7.9
103.03889	2.0
105.01857	13.1
105.07020	10.1
107.04921	2.0
107.08585	10.3
109.02859	23.5
109.06508	2.3
109.10141	1.2
111.08048	1.8
117.01814	2.4
117.06966	3.5
119.08560	7.9
121.06474	4.1
121.10123	14.6
123.04408	1.8
123.08022	1.0
123.11728	1.4
125.05948	1.5
127.03897	42.4
128.06221	1.1
129.01808	3.4
129.06963	1.6
129.10185	1.7
130.07741	2.1
131.08560	2.1
133.06494	1.7
133.10080	2.4
135.07970	1.0
135.11676	4.3
137.05977	1.4
143.08492	1.1
145.04950	13.8
145.10118	12.0
147.02895	2.8
147.04434	0.8
147.08011	1.8
147.11661	2.3
148.08804	0.9
149.05940	1.1
149.09601	1.4
152.02695	0.9
159.01772	1.4
159.02879	13.3
161.09666	1.3
163.11163	100.0
164.11493	1.6
165.05531	1.1
165.09149	1.6
165.12689	1.8
167.05624	1.2
167.07036	2.2
171.47134	1.0
173.09608	1.0
175.11118	3.4
181.12172	5.2
189.03888	2.7
193.12231	6.7
205.12271	5.1
211.13257	9.6
213.03862	2.5
219.50769	1.0
223.13248	7.7
231.04979	8.5
235.13097	1.1
246.11374	0.9
247.13197	1.2
271.13263	1.7
285.16861	1.7
359.02753	2.3
375.14362	1.5
393.15036	1.8
414.57178	1.1
429.11923	1.4
429.16183	2.2
429.21817	9.0
430.20593	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75133	0.6
52.03711	0.6
55.01881	1.8
55.05529	0.6
57.03448	0.8
67.05524	1.3
68.86077	0.5
68.99808	1.4
69.03432	3.6
70.10429	2.8
73.02967	0.6
79.05496	1.7
81.03423	2.7
81.07070	1.4
83.04976	0.9
85.02910	2.4
86.09704	1.2
87.04460	1.2
91.05430	1.2
91.05892	0.7
93.03408	0.7
93.07055	1.3
94.95132	0.6
95.04988	0.9
95.08615	0.7
97.02923	1.2
98.20659	0.8
107.04947	1.1
109.02917	1.2
111.04482	0.6
115.03915	0.8
119.08549	1.0
121.02846	0.8
121.06495	0.7
127.03916	1.2
131.08592	0.7
135.04358	3.9
137.02332	8.6
137.03314	0.7
141.01807	3.7
141.32877	0.6
147.11728	0.9
149.02287	0.8
153.01851	2.0
157.10112	0.9
159.04442	1.1
161.02419	2.0
163.03922	1.9
163.11258	0.8
165.01822	23.2
165.03159	1.3
166.02184	0.8
167.03412	2.1
167.05542	1.1
170.09508	0.6
173.05946	0.8
175.03929	0.7
178.99791	1.9
179.03397	2.6
183.02887	14.0
183.04424	1.1
187.03769	0.9
197.00777	4.8
199.03838	0.7
201.05382	0.8
203.03401	2.3
207.02849	1.5
208.42978	0.8
213.05527	1.7
221.04480	2.8
233.26379	0.6
245.04375	1.1
248.86485	0.6
257.04675	0.6
269.04568	1.4
271.05908	1.0
281.04309	0.9
283.05939	2.8
285.07590	1.1
286.04755	2.7
287.05478	20.7
287.08722	1.1
288.05441	0.9
295.06036	2.0
298.04779	1.7
299.05466	100.0
300.05933	7.3
301.06619	0.9
302.07446	0.7
303.07550	1.7
309.07520	1.6
310.04700	0.8
311.05469	12.7
312.05881	1.6
313.03381	14.3
313.07034	11.5
314.07199	3.3
315.04813	2.0
315.07846	6.7
323.05396	4.4
324.05737	0.7
325.03476	0.9
325.06973	2.4
326.32877	0.8
327.04913	15.6
327.08566	7.3
328.05365	0.8
329.06436	9.7
330.06439	1.1
331.04221	0.8
337.06976	12.3
338.07529	1.5
339.04922	4.9
339.08063	1.1
341.06430	2.0
343.04251	1.0
345.08746	1.2
355.04077	3.8
355.07861	4.0
359.03070	1.4
365.06396	4.5
367.08109	2.4
369.05615	4.8
373.05634	1.0
382.09943	0.7
383.11093	2.9
387.07227	3.3
393.05685	5.1
401.11261	1.0
411.06985	90.7
412.07358	5.5
428.31158	0.7
429.07559	13.9
429.18835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.6
55.05504	6.5
56.05020	3.7
57.07070	2.5
60.04522	75.6
60.56780	1.3
67.05507	14.9
67.73320	1.2
69.07049	9.2
71.08624	1.8
71.37063	2.3
72.04517	2.6
79.05502	8.0
80.05004	2.2
81.07050	11.7
82.06578	17.5
83.04941	2.1
83.08609	5.9
85.02865	1.6
86.37296	1.4
90.31414	1.3
91.05443	7.8
93.07041	17.7
94.06564	17.1
95.04961	15.7
95.08604	7.5
96.08124	2.8
97.06531	1.7
97.10166	2.4
98.09687	4.6
103.05475	3.8
105.07029	2.2
108.08125	4.3
109.06503	2.3
110.06015	2.9
110.09672	12.3
111.08067	4.1
112.07607	1.7
120.08108	5.9
121.06509	7.9
121.10149	2.1
126.09144	10.9
128.10797	1.7
134.53117	1.4
138.09135	49.0
139.07523	8.4
144.10298	1.4
156.10184	31.8
163.03909	2.5
174.11246	9.8
184.07324	2.1
211.47549	1.3
266.24786	1.8
272.25739	1.7
380.31665	1.6
392.31543	2.9
410.32605	29.6
428.33707	100.0
429.19241	6.1
429.33429	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01866	1.7
55.05501	8.0
56.05023	2.4
57.03428	1.0
57.07056	2.3
59.30423	0.7
60.04521	81.3
60.08141	0.9
65.03934	1.5
67.04236	1.1
67.05501	14.5
67.98719	0.7
68.05006	1.1
69.07062	6.7
70.06586	0.9
70.79996	2.4
71.04994	0.9
71.08610	1.2
72.04512	1.6
74.06078	0.8
79.05493	7.6
80.05001	2.0
81.03389	1.5
81.07046	12.6
82.06575	19.0
82.12964	0.7
83.04962	2.3
83.08614	6.4
85.02904	0.9
85.06538	2.2
86.06060	1.0
87.08099	1.6
88.07649	0.8
90.05534	1.5
91.05438	6.2
93.07038	19.3
94.06559	19.3
95.04962	16.2
95.08599	7.2
96.08112	3.5
97.06519	2.8
97.10154	2.0
98.09686	4.9
103.05456	2.5
108.08116	4.6
109.06534	2.9
110.06033	3.4
110.09663	13.0
111.08071	5.2
112.07587	3.1
120.08089	8.0
121.06485	7.4
126.09149	12.6
128.10695	1.5
133.10141	1.0
138.09126	55.6
139.07533	8.7
144.10199	1.0
156.10190	36.4
174.11253	9.7
193.04825	0.9
227.20001	1.0
266.24829	1.7
272.25919	3.4
314.26791	1.8
374.30341	1.4
380.31381	1.0
392.31473	1.9
410.32623	32.5
411.33109	2.2
428.33685	100.0
429.12012	1.2
429.19080	3.6
429.33884	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
53.77744	0.8
55.01868	5.9
57.03426	7.5
59.04996	0.9
61.02907	5.1
67.01853	1.2
67.05507	2.0
68.99786	1.5
69.03421	13.2
69.07049	1.2
69.68896	3.7
69.69321	2.9
70.06586	1.2
71.01332	1.8
71.04971	1.4
71.75427	0.8
73.02509	1.6
73.02905	25.9
79.05462	1.4
81.03410	6.2
81.07022	2.2
85.02894	39.5
86.09703	1.4
87.04442	2.5
91.05829	1.7
93.07044	1.1
95.04942	1.2
95.08556	1.4
97.02236	1.0
97.02879	20.0
99.04444	2.4
103.03920	1.1
105.07008	1.4
109.02872	3.6
109.06461	0.8
109.10101	1.1
111.04430	1.0
113.72998	0.9
115.03918	8.0
115.05378	0.9
119.08586	1.4
121.02844	1.7
121.06544	0.9
121.10151	1.0
122.10431	0.8
127.03896	14.8
131.08597	0.8
133.02881	0.8
133.04956	9.9
135.04401	2.6
135.07901	0.8
137.02335	4.9
141.01848	3.5
142.02150	1.3
145.04938	17.7
149.05930	2.5
151.03896	6.4
152.04250	2.6
153.01834	1.9
159.04448	1.1
161.02310	2.0
163.03899	3.3
163.06001	7.1
165.00455	1.5
165.01817	21.2
166.02170	5.5
167.03394	3.1
175.03844	1.9
179.03386	3.4
181.01427	1.0
183.01387	1.6
183.02882	12.4
184.03201	4.0
187.03886	1.8
189.01849	2.0
190.02245	0.9
195.02748	0.9
197.00906	1.8
199.04074	0.9
207.02885	2.1
208.03212	1.9
209.00711	1.9
213.05347	1.9
215.03442	1.0
221.04292	1.0
223.02481	1.7
223.06020	1.8
235.02379	0.9
241.07143	1.2
243.06413	0.9
254.05545	1.0
255.06300	1.6
258.05170	2.4
259.05560	2.8
259.08133	1.7
266.05722	1.2
267.06091	3.2
268.06992	0.9
269.04422	1.2
269.07477	1.1
270.05215	3.5
271.05594	7.9
272.06293	2.3
282.05219	3.5
283.05655	6.1
283.08841	1.2
284.06561	2.5
285.04111	1.3
285.07077	6.9
286.04663	3.3
286.07581	1.6
287.05252	11.0
293.07510	1.8
294.05331	2.1
295.05515	6.9
296.06613	3.3
297.03897	2.0
297.07233	8.9
298.04688	9.3
298.07837	3.0
299.05307	60.6
300.05914	4.2
301.06918	7.9
302.07346	15.2
309.07535	2.6
310.04617	2.2
310.08035	6.3
311.05252	17.4
311.08701	9.5
312.06042	4.2
312.09430	5.6
313.03357	5.7
313.06839	48.5
314.07364	100.0
315.04788	2.9
315.07834	9.3
321.07214	2.9
322.04648	1.5
323.05173	8.5
324.06107	2.3
325.03311	10.4
325.06827	11.5
326.04037	2.5
326.07391	12.4
326.11020	2.1
327.04886	14.1
327.08502	9.2
328.05460	2.5
328.08942	18.0
329.06107	9.8
336.09335	1.4
337.06918	9.1
337.14371	1.0
338.04041	1.1
338.07410	24.6
339.04681	8.6
339.08289	14.3
340.05231	5.0
340.08936	14.2
341.06104	7.3
342.06778	6.6
342.10571	2.6
343.07983	5.4
344.08417	23.5
345.08691	2.9
349.06525	4.0
351.04559	1.4
353.06247	3.0
353.10175	3.2
354.06708	9.6
354.10565	18.7
355.04123	1.6
355.07922	3.2
356.08356	8.8
357.05716	1.9
359.02673	1.0
364.08926	6.2
365.06342	4.4
366.06818	6.6
366.10608	1.7
367.07739	6.7
368.08441	11.2
369.05951	2.6
377.06091	1.7
381.09702	1.4
382.10016	27.8
383.06781	5.3
384.07922	33.2
385.08286	3.1
387.06891	1.1
392.08447	4.2
393.06091	2.5
395.07080	4.0
400.10947	7.6
401.11264	1.6
409.08670	1.0
410.09488	53.3
411.06802	33.4
428.10532	76.4
429.02841	0.9
429.10425	6.9
429.16534	1.1
429.18634	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.4
55.01860	2.9
55.05505	7.4
56.40626	1.1
57.03419	3.6
57.07067	10.0
60.44376	0.9
61.02910	3.4
67.05486	1.3
68.99780	1.5
69.03424	13.4
69.61751	7.2
71.04983	2.2
73.02903	2.9
79.05486	1.4
80.48586	1.1
81.03408	15.7
81.07048	2.1
83.08617	2.9
84.08112	1.1
85.02896	36.4
86.09687	2.9
87.00814	15.9
89.06017	31.1
91.03960	1.4
91.05450	1.3
93.07009	1.2
95.04954	2.3
97.02879	15.2
98.21346	1.9
99.04436	5.8
101.09645	11.6
105.01851	9.5
107.07052	29.9
109.02876	11.4
117.01841	1.9
127.03901	23.6
129.01802	1.8
145.04965	10.1
148.82196	0.9
148.98654	1.1
159.02850	7.8
163.13280	100.0
164.13609	2.0
176.47311	0.9
193.12202	1.9
213.03911	2.2
231.04938	3.6
235.13268	2.1
324.78000	1.0
325.71716	1.0
337.15833	1.0
393.09625	2.2
411.10245	0.9
429.17065	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19440	0.3
55.05487	0.4
56.96557	0.4
57.03414	0.3
57.04559	0.5
67.05465	0.3
69.07047	0.4
70.06593	1.5
70.27171	1.4
72.08134	1.0
81.03344	0.3
84.08106	0.8
85.02902	0.4
86.09692	0.7
92.11109	0.3
94.04041	1.3
98.21416	0.3
102.98161	0.3
108.04309	0.4
121.51157	0.2
123.06652	0.6
129.10245	0.3
133.05061	0.4
136.07719	0.3
147.04352	0.4
150.07729	100.0
151.08054	0.9
153.56938	0.2
155.80978	0.4
161.01208	0.3
179.03310	0.3
203.12729	0.3
205.83490	0.3
223.06358	0.5
238.07790	1.0
265.07361	1.5
282.11969	0.7
283.08554	1.2
295.11456	19.9
296.11755	0.6
307.08621	0.7
427.13562	2.1
427.19342	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3929
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
52.14516	3.7
53.64497	4.2
54.46666	4.5
55.05494	19.9
57.07058	11.6
61.77329	3.8
67.05501	23.3
69.07057	46.2
71.08602	5.3
71.75247	4.4
79.05469	13.8
81.03388	6.4
81.07046	100.0
83.08611	24.9
91.05457	8.6
93.07038	34.1
95.08593	91.1
97.02862	4.5
97.10123	13.2
99.04411	5.5
105.07027	24.0
107.08588	43.0
109.10147	59.6
111.08063	4.4
111.11684	7.8
119.08562	26.1
121.06403	5.3
121.10123	34.5
123.11693	32.8
131.08495	7.6
133.10100	14.5
135.11674	33.5
137.13234	22.9
145.10136	10.3
147.11681	19.5
149.13216	24.7
151.11198	5.2
157.10175	6.1
159.11685	10.8
161.13234	17.8
163.14793	21.7
167.99113	4.5
173.13301	6.1
175.14757	8.4
177.16389	13.4
189.16351	9.5
191.17841	5.2
203.17931	11.0
205.19437	4.9
217.19495	9.1
217.95546	4.6
259.24054	7.5
265.24930	4.8
409.37955	13.8
427.30508	5.1
427.39407	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1373
Annotation	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
56.05008	0.6
56.96558	6.6
58.16291	0.7
64.53810	0.6
70.06590	3.2
71.33167	1.8
72.08170	0.7
81.03413	1.4
84.08151	1.4
85.02872	1.7
86.09694	1.3
91.05470	1.1
93.07003	0.7
95.04994	0.8
98.97565	5.5
107.08543	0.7
116.98594	4.6
118.06452	0.6
127.03934	0.8
128.98616	1.1
129.10355	0.6
133.10097	0.9
134.99625	1.1
139.00633	0.9
143.00107	1.0
145.12581	0.6
146.99638	1.6
147.04335	0.8
149.09674	0.6
156.67976	0.7
157.01721	1.5
158.99583	1.5
161.01160	1.8
161.09589	0.8
163.11240	0.9
169.01834	1.3
173.07263	0.6
177.00726	0.8
179.03442	1.6
181.01724	0.9
193.05386	2.3
197.04935	1.1
199.02777	1.3
202.64296	0.7
203.12854	1.1
205.05418	1.9
207.03299	0.9
211.02823	1.0
211.06390	3.5
219.01753	1.4
221.04933	1.2
221.08490	0.6
223.06392	16.9
229.03841	1.2
235.06374	2.7
237.02820	2.9
237.08012	0.9
239.09430	1.0
241.07434	6.1
246.07991	1.2
247.06429	5.5
253.07445	5.0
265.07443	17.2
271.03979	0.8
271.08426	4.0
277.07874	1.0
283.08487	21.0
288.09000	1.2
301.09561	2.2
301.21423	0.7
306.10242	1.0
307.08499	2.2
325.09525	0.8
337.09344	0.7
367.10535	13.8
385.11942	0.7
427.12979	100.0
428.13452	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
55.67097	0.2
57.07053	1.0
62.06073	1.3
67.05490	2.0
68.04979	0.2
69.03446	0.3
69.07052	2.0
70.06559	0.5
71.04967	0.3
71.07364	0.4
71.08244	0.4
71.08620	6.2
71.35916	0.3
71.36237	0.3
72.08147	1.1
79.05467	1.0
81.07045	2.9
82.06607	0.3
83.08604	1.7
84.08124	1.3
85.10139	0.4
86.06052	3.1
86.71429	0.2
91.05460	0.6
93.07024	1.5
95.08594	2.0
96.08113	3.0
97.06506	0.5
97.10143	0.3
98.06037	1.0
98.09679	2.9
99.08066	2.6
101.15327	0.2
105.06999	0.3
107.08559	1.3
108.08078	1.4
109.08889	0.4
109.10104	0.7
109.20703	0.2
110.09652	0.5
111.08078	0.3
114.09138	0.3
116.10709	16.0
117.11021	0.4
119.08514	0.4
121.10111	0.5
122.09665	1.5
123.11649	0.3
124.07545	0.5
126.09145	0.3
126.87251	0.2
133.10114	0.5
136.11159	0.7
138.09070	0.2
139.97169	0.2
140.10643	0.8
143.10645	1.5
145.10110	0.3
149.02385	0.2
149.13211	0.6
150.12695	0.2
154.12274	0.3
154.15872	3.3
155.16292	0.3
164.14320	0.6
165.10655	0.2
166.15892	2.8
167.14265	0.3
168.17406	0.8
178.15892	1.4
196.15123	0.4
196.16933	7.8
197.17348	0.3
214.17978	100.0
215.18330	3.9
238.18042	0.6
239.16386	0.3
256.19052	0.6
257.17358	1.7
285.24216	2.4
310.23688	2.3
328.24777	3.8
329.24704	0.4
365.20267	0.3
408.30853	1.5
423.36227	0.3
426.26584	0.2
426.32053	4.6
427.33084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.3
55.01850	2.0
55.05502	2.1
57.03428	1.8
61.02917	1.1
62.56561	0.9
65.55129	0.9
67.05488	3.4
69.03413	3.2
70.40408	0.8
71.19599	1.9
79.05479	6.7
81.03394	2.7
81.07034	7.2
83.04958	1.1
85.02892	14.4
90.00802	1.1
91.05466	12.5
93.07037	7.3
95.04938	3.1
95.08529	1.0
97.02852	3.8
97.06489	3.2
103.05415	2.7
105.07015	18.6
107.04932	1.5
107.08566	2.5
108.08850	0.8
108.58456	0.8
109.02877	2.8
109.06545	2.0
115.05434	2.5
117.07004	8.9
119.04928	1.0
119.08539	5.2
120.08060	1.0
121.06474	4.5
123.07997	1.4
127.03903	2.8
128.06216	6.2
129.06987	11.9
131.04910	1.7
131.08537	13.3
133.06456	6.2
133.10080	1.7
135.04369	1.8
135.08046	3.1
137.05992	1.5
141.06956	13.6
142.07771	9.3
143.08542	18.0
144.09253	1.3
145.04924	3.1
145.06465	3.7
145.10069	5.2
147.08037	2.6
149.05914	3.7
151.07542	9.6
152.06126	1.0
153.06966	5.4
154.07755	2.2
155.08530	25.8
156.09209	1.5
157.10112	27.9
159.08067	4.9
159.11678	5.0
161.05963	1.9
165.01779	1.9
165.06979	1.9
166.07758	1.7
167.07207	1.3
167.08453	4.6
168.09319	20.1
169.06447	2.6
169.10083	4.7
171.08046	2.8
173.05975	4.2
173.09569	4.9
173.13245	5.9
175.11189	7.6
178.07755	5.3
180.08766	1.3
181.06465	1.7
181.10086	11.4
182.10541	1.2
183.08035	2.1
183.11665	50.0
184.12051	2.6
185.09662	2.0
185.13208	2.9
187.07500	6.2
187.11105	2.5
193.10101	16.6
196.08842	2.4
201.09105	6.7
201.12712	16.4
211.11143	28.6
219.13770	3.0
229.12204	100.0
230.12540	3.8
239.04724	1.0
247.13261	49.3
248.13519	1.6
267.80368	1.0
298.04608	2.6
301.06931	2.1
313.06964	8.6
325.06949	1.0
325.88269	0.9
339.08218	1.2
343.08206	3.1
367.08093	1.7
381.09518	1.9
409.08908	5.2
427.10416	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35107	1.0
67.05473	2.5
67.94470	1.0
69.03427	1.1
69.07061	1.8
70.28305	4.6
71.78700	1.2
76.06380	1.0
79.05470	2.8
81.03416	1.9
81.07032	8.0
83.64796	0.9
89.41443	1.1
91.05453	1.4
95.08554	2.0
96.53072	1.0
97.02895	1.2
97.06527	1.1
97.80427	0.9
98.20608	1.0
105.06969	2.4
109.10110	1.0
119.01914	1.7
127.03909	1.5
143.01833	1.6
161.02962	1.0
165.09100	1.3
175.04562	1.0
198.94176	1.1
201.03693	2.2
203.05341	1.5
229.02171	1.2
243.04741	15.7
245.06314	11.8
271.04279	2.3
287.03699	100.0
288.04025	1.5
289.05258	92.9
290.05649	1.9
345.82886	1.1
381.18927	6.3
425.12848	2.9
425.17764	83.6
426.17953	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.5
55.01863	9.5
55.05501	5.3
57.03421	4.4
61.02913	12.0
66.58356	3.3
67.05488	9.2
68.99773	12.4
69.03424	29.4
69.07052	9.0
71.04961	5.0
71.74245	5.8
79.05479	31.2
81.03413	36.1
81.07053	13.3
83.04962	10.4
83.30598	3.8
84.08104	4.2
85.02894	47.6
87.00822	15.9
91.05470	19.8
93.03369	4.1
93.07034	28.6
95.04952	10.2
95.08598	9.2
97.02876	24.1
97.06535	8.3
99.04452	9.3
99.08083	3.6
100.11245	5.2
103.03937	24.0
103.05435	3.8
105.07009	12.1
107.04942	17.7
107.08591	16.6
109.02897	21.5
109.06492	9.6
111.04404	3.7
115.05454	20.2
117.07031	16.3
119.08578	10.3
121.06484	10.9
121.10130	4.9
125.05950	7.9
127.03911	32.4
128.06210	5.0
129.01820	8.5
129.06987	10.2
131.04887	4.9
131.08574	10.4
133.06476	10.7
133.10117	12.6
135.08022	6.4
135.11678	35.7
137.06020	4.5
139.07527	5.8
141.06976	4.2
143.04944	5.4
145.06471	14.8
145.10092	6.4
147.02885	5.0
147.04404	6.1
147.08058	20.8
149.05927	4.3
149.09607	4.4
153.06956	6.9
156.05646	3.8
158.07224	5.2
159.04401	4.2
159.08038	10.0
159.11642	4.9
160.08842	7.1
161.05988	12.1
161.09552	5.0
163.03883	23.1
163.07545	7.7
165.05547	3.8
166.58748	3.6
167.07025	6.5
169.06473	3.5
171.02966	7.5
171.04471	4.4
173.05991	31.6
173.09531	5.1
175.07487	8.2
175.11159	5.5
177.05396	6.9
178.06236	55.5
180.94925	3.4
182.02087	4.0
185.05896	3.7
187.07526	17.9
189.03905	10.9
189.05473	19.8
189.09154	9.3
190.06097	4.8
191.07013	12.8
191.10619	21.9
193.08623	4.9
195.02852	9.6
195.13846	5.7
197.09599	4.7
198.06656	3.8
201.05440	4.8
201.09019	5.9
203.07091	5.7
204.07791	63.0
205.04976	11.0
205.08574	15.6
207.10167	51.1
211.07504	7.1
213.03932	7.0
217.08589	16.3
217.12343	3.4
219.06615	4.4
219.10135	100.0
220.07304	17.2
221.07870	4.8
225.09087	5.1
227.07059	4.4
229.08571	5.2
231.10196	7.7
233.11569	4.1
239.14232	4.3
243.10275	4.5
246.08824	15.6
247.09570	7.4
249.11046	3.4
257.11795	11.4
261.11172	24.1
285.11157	23.6
285.14377	6.1
303.12231	22.9
303.15454	6.1
325.06976	3.8
348.65649	3.4
352.09360	4.0
353.06509	6.4
381.09695	7.6
407.17419	5.7
425.07181	4.3
425.12671	36.9
425.21317	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96535	0.4
57.51642	0.4
61.76723	0.4
69.03410	0.5
70.06571	1.5
71.54669	0.5
72.08141	1.0
79.05436	0.5
84.08125	0.6
85.02898	0.4
86.09686	1.0
91.05470	3.4
117.05057	0.3
119.01909	0.5
120.08100	0.7
126.05503	0.3
131.01871	0.5
134.04391	0.3
136.07564	0.7
145.03394	0.9
151.07050	0.3
153.05371	0.5
155.01898	0.6
173.02882	0.4
185.02951	0.4
203.11395	0.3
207.10214	0.4
221.98375	0.4
281.03183	0.4
293.09845	2.2
295.11325	0.7
299.04224	1.0
311.09738	1.2
345.11459	0.7
407.17029	0.5
425.14099	100.0
426.14432	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1413
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
56.96535	0.4
57.51642	0.4
61.76723	0.4
69.03410	0.5
70.06571	1.5
71.54669	0.5
72.08141	1.0
79.05436	0.5
84.08125	0.6
85.02898	0.4
86.09686	1.0
91.05470	3.4
117.05057	0.3
119.01909	0.5
120.08100	0.7
126.05503	0.3
131.01871	0.5
134.04391	0.3
136.07564	0.7
145.03394	0.9
151.07050	0.3
153.05371	0.5
155.01898	0.6
173.02882	0.4
185.02951	0.4
203.11395	0.3
207.10214	0.4
221.98375	0.4
281.03183	0.4
293.09845	2.2
295.11325	0.7
299.04224	1.0
311.09738	1.2
345.11459	0.7
407.17029	0.5
425.14099	100.0
426.14432	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.8
53.56795	0.7
55.46645	0.8
55.99601	0.7
69.93211	4.1
69.93606	1.1
82.99844	1.8
93.74552	0.9
97.02863	1.3
98.20689	1.5
99.51830	0.9
100.24203	0.8
101.00868	12.8
113.00864	1.5
115.55553	0.8
116.68382	0.8
119.01908	34.2
119.02751	1.8
127.02331	1.8
131.01892	10.0
133.03499	1.0
137.02948	4.0
142.03535	1.2
143.01889	31.8
144.01976	0.8
145.03452	10.9
146.43272	0.8
147.01346	1.3
149.02928	1.3
155.01883	15.3
157.03474	6.9
161.02951	55.8
162.03085	1.4
163.04482	1.5
167.01883	6.7
169.03474	2.7
171.05016	3.0
173.02960	24.3
175.04504	2.6
179.01921	4.9
179.03554	0.8
184.04573	2.0
185.02940	36.0
187.04533	4.5
191.04008	5.1
191.99731	0.9
196.04564	1.2
197.02921	14.3
203.03972	15.6
210.55899	0.8
215.03957	8.2
221.05025	2.7
227.03947	7.7
245.05052	100.0
246.05232	3.7
257.05011	5.2
263.06100	25.2
275.06064	13.5
293.07098	3.6
305.07144	8.5
323.23288	0.7
327.99173	0.8
335.07907	1.6
365.09216	5.3
398.25253	0.9
425.11267	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.0
55.01865	9.8
57.03417	4.0
61.02917	4.1
67.05501	3.5
68.99775	5.4
69.03419	21.5
70.06581	18.5
70.20741	8.2
71.01363	1.8
71.04970	3.9
71.06106	3.0
72.04501	3.4
72.08137	3.2
73.02898	6.0
75.02020	1.7
77.00618	3.4
79.05488	2.9
81.03409	20.3
81.07059	4.3
82.07362	2.4
84.04515	3.9
84.08125	5.9
85.02890	41.9
86.09686	10.5
87.00816	19.0
91.05470	22.5
93.07024	2.8
95.04942	3.5
97.02872	26.3
98.97607	3.1
99.04453	12.1
99.87563	1.9
103.05433	4.1
105.01865	10.4
105.07002	4.4
109.02869	17.8
110.07160	2.5
115.03899	2.6
115.05395	3.3
116.07046	2.1
118.03211	8.4
119.04926	48.7
120.08102	3.2
123.04456	12.0
124.07560	2.5
127.03899	31.9
129.01822	3.6
129.06927	2.4
130.03230	2.5
131.04927	8.3
133.06476	6.6
142.08684	2.3
145.04959	8.3
145.06416	4.4
147.04404	88.1
147.05847	18.0
148.04736	2.5
149.06094	2.3
157.06458	2.7
159.02890	14.1
159.04410	6.6
161.05981	7.1
171.04414	2.9
173.05977	3.0
175.03885	3.3
177.05444	100.0
181.06487	3.0
183.15088	3.6
185.05910	2.3
189.03917	2.9
189.05434	52.4
191.06995	6.4
197.06055	3.2
199.07607	2.6
201.05458	6.0
203.07037	3.1
207.06496	2.4
211.14403	2.3
213.05501	6.1
215.03578	2.1
219.06523	17.0
227.07101	2.2
231.04756	2.7
231.06702	4.6
239.06993	2.8
243.06593	5.2
255.06654	2.9
257.08145	4.7
261.12561	9.9
267.06473	5.3
278.09998	3.9
285.07556	8.5
295.12564	17.6
303.08698	4.1
365.07501	2.3
389.08624	5.0
407.09531	2.5
407.18188	3.3
425.17764	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	3.5
56.96546	6.6
60.99162	2.4
70.06565	10.4
71.03166	5.5
71.03510	2.0
71.13513	2.1
72.08155	3.1
76.56437	2.1
80.03268	2.4
81.03403	3.1
84.04481	9.1
84.08125	2.4
85.02886	6.7
86.09699	11.7
91.05465	8.3
97.02845	3.0
98.97602	5.0
99.04414	2.3
100.02183	4.9
102.01773	4.7
102.05497	3.5
116.98605	6.4
118.30965	2.6
119.01912	2.7
128.98625	3.0
129.10219	2.6
132.10191	8.3
133.79048	2.4
136.07565	17.5
137.07907	10.2
146.02623	2.7
147.04404	5.9
148.02246	5.8
149.01224	2.9
177.46210	2.2
203.97310	4.1
207.10135	2.8
218.08076	3.7
221.98355	8.7
223.02792	5.6
229.07336	3.3
232.58871	2.7
237.02826	2.9
254.09210	4.5
255.05299	3.5
260.09116	3.4
261.12872	2.5
266.12183	4.2
269.03253	7.3
281.03183	12.2
295.11169	4.9
299.04288	23.5
299.06772	2.0
343.25412	2.5
345.11542	4.7
365.10147	4.7
407.16971	3.2
425.08047	30.9
425.14011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98082	39.0
64.27684	36.4
67.05485	56.0
69.03398	45.4
70.06567	100.0
79.05463	45.2
85.02869	78.4
87.00794	45.1
89.23620	38.4
91.05446	47.2
93.06992	53.0
111.04461	43.8
119.08613	61.6
133.10124	91.4
141.12694	57.3
142.26758	37.7
163.13242	42.4
175.14818	72.1
176.15176	63.5
258.15891	42.6
312.62213	39.8
357.70117	40.4
359.60803	43.5
362.16010	45.5
363.33478	42.7
401.34354	45.1
435.93274	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01871	2.8
55.05501	4.1
56.73083	1.5
57.03414	3.4
61.02929	2.8
66.17998	1.6
66.99644	1.8
67.05484	3.2
69.03426	13.6
70.06579	2.7
71.04992	6.0
71.48180	3.8
72.08160	2.5
73.02890	2.2
79.05491	3.0
81.03415	15.0
81.07053	2.7
84.05654	1.6
85.02895	69.9
86.09710	3.9
91.05458	2.1
93.07021	1.9
97.02882	22.8
99.04442	39.2
99.05048	2.8
103.03930	86.6
104.04307	2.2
105.06989	2.2
109.02872	16.8
109.10140	3.0
119.08646	1.9
126.37131	1.5
127.03904	100.0
128.04346	2.1
136.07526	1.8
137.09607	4.5
145.04938	55.8
163.06003	42.4
163.07327	3.3
165.09151	2.1
169.43117	1.9
171.02922	3.6
187.06021	5.3
205.07143	3.3
249.09966	1.7
269.13892	3.2
271.08136	3.9
289.09290	2.9
307.10410	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.05508	12.0
57.03432	1.5
57.07058	6.3
62.69783	1.5
67.05494	28.4
69.07063	21.6
70.06565	3.0
70.54047	5.9
77.03916	2.3
79.05478	15.7
79.82324	1.5
81.07047	50.2
83.08617	9.4
85.06517	1.7
87.04433	3.8
88.07619	1.8
91.05466	18.7
93.07032	36.9
95.04980	4.1
95.07991	3.5
95.08598	60.7
97.06496	2.0
97.10160	5.4
105.07016	100.0
107.08580	39.0
107.09303	1.6
109.10141	37.6
117.06990	8.7
119.08572	63.5
120.70615	1.7
121.10137	32.6
123.11681	22.3
128.06218	2.7
129.07014	4.6
131.08554	46.9
133.10120	33.9
135.11678	28.1
137.13222	9.8
142.07713	2.2
143.08551	10.4
144.09372	2.2
145.06461	3.0
145.10103	34.4
147.11687	22.3
149.02298	6.0
149.05954	10.1
149.13239	21.8
150.02650	2.7
157.10133	9.7
158.10899	4.7
159.07990	2.5
159.11670	27.0
161.13258	18.6
163.07512	2.3
163.14803	6.7
164.35071	1.6
165.12906	1.9
169.10066	1.8
171.11710	7.5
173.11794	2.3
173.13242	46.8
175.14818	26.1
177.16336	4.1
182.09578	9.1
183.09952	9.6
183.11674	4.3
185.13194	16.0
187.14792	59.3
189.16377	20.9
191.17924	47.7
192.18265	2.3
193.04942	4.5
194.05313	5.1
197.13185	4.9
199.14742	13.2
201.12704	7.4
201.16299	8.7
203.14148	2.8
203.17909	22.6
205.15886	1.9
205.19502	12.8
211.14955	2.2
212.15569	2.9
213.16376	6.1
215.14412	1.7
215.17903	6.2
217.12245	4.2
217.19444	6.9
219.13765	34.9
225.16330	2.1
227.17860	3.1
229.19521	4.1
231.13834	10.2
233.15274	16.8
239.18011	2.7
241.19496	2.6
243.21019	4.7
245.15416	4.2
245.22580	4.1
253.19530	2.9
255.21010	6.6
256.26346	2.1
257.26599	2.6
271.16876	3.8
299.19711	2.1
321.25937	1.8
337.23639	4.0
377.31976	9.7
423.27289	35.9
423.32556	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.05500	10.7
57.07069	5.7
67.05495	17.3
69.07059	19.1
71.10746	2.4
72.95647	0.9
77.03932	1.1
79.05483	17.0
81.07047	46.0
83.08604	9.5
86.15194	0.9
91.05472	17.5
93.07034	32.0
95.04953	2.1
95.08600	57.2
97.10150	4.5
103.05437	1.4
105.07020	100.0
106.07367	2.1
107.08582	37.6
109.10150	31.4
109.10847	0.8
113.78072	1.0
117.06994	9.0
119.08572	60.2
121.10130	32.1
121.10861	0.7
123.11698	16.5
124.82818	1.0
125.05975	1.1
127.11136	1.1
129.06982	2.9
130.07745	1.7
131.08556	49.3
133.10117	43.3
133.11131	1.8
135.08058	1.1
135.11676	22.8
137.09613	1.0
137.13231	9.5
142.07722	1.7
143.08557	9.2
144.09294	2.5
145.06436	1.6
145.10114	41.1
147.08052	1.2
147.11665	23.5
147.12828	1.6
149.05989	9.0
149.13235	20.8
155.08495	2.3
156.09331	1.3
157.10097	8.9
158.10901	4.5
159.08028	2.5
159.11679	30.1
160.12416	1.7
161.13248	17.7
163.07523	3.4
163.14828	6.4
165.12701	1.6
169.10052	2.6
171.11667	8.0
173.13243	37.0
175.14806	23.3
177.09023	1.2
177.16400	6.1
180.26118	1.0
183.11694	4.2
185.13248	13.7
187.14801	67.6
188.15176	1.9
189.14664	1.7
189.16364	34.9
189.18016	2.1
191.17929	70.3
192.18250	1.8
197.13213	4.2
199.14810	11.3
201.12715	3.8
201.16370	12.9
203.17947	20.8
205.12305	2.2
205.15897	3.1
205.19507	10.2
209.13307	1.6
211.14745	2.2
213.16278	5.1
215.14279	2.9
215.17920	3.8
216.66405	1.0
217.12181	1.9
217.19524	7.0
219.13800	22.8
225.16338	3.1
227.17993	3.8
229.19481	2.3
231.13838	8.5
233.15347	28.6
239.17955	4.4
241.19472	2.4
243.21056	5.9
245.15332	3.7
245.22589	1.6
253.19633	1.9
255.21082	3.3
257.15344	1.8
257.22693	2.3
259.16879	1.5
267.20929	1.2
271.16837	3.6
273.18402	2.7
285.18491	2.9
293.22626	1.6
299.20151	1.8
311.20325	1.1
313.21548	1.3
325.21533	2.0
339.23248	2.0
377.32047	12.4
414.25214	1.1
423.27469	2.6
423.32532	44.6
424.32938	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	3.4
53.03938	7.4
55.01857	7.0
55.05502	30.7
57.03420	9.6
57.07074	2.9
58.81588	2.2
60.11374	2.4
63.54509	2.4
65.03929	5.8
67.05499	100.0
69.03426	28.2
69.07057	22.5
70.19892	5.5
70.20280	5.4
71.04987	6.5
73.02897	3.1
79.05483	53.2
81.03406	31.7
81.07047	80.6
83.04959	8.9
83.08603	18.1
85.02908	11.4
85.06531	5.5
87.04460	2.3
87.47012	2.5
91.05466	48.3
92.05810	2.6
93.07033	77.6
95.04940	19.5
95.08597	49.4
96.23376	2.5
97.02876	8.8
97.06525	5.5
97.10126	2.7
99.04438	6.6
99.08058	3.4
103.03894	3.1
105.07018	47.3
107.04941	8.2
107.08583	42.2
109.06506	9.4
109.10141	46.4
111.04433	5.4
111.08055	5.0
115.05421	3.1
117.07011	18.7
119.08569	37.4
121.06508	5.2
121.10123	32.9
123.08073	5.2
123.11720	8.1
127.03871	5.2
128.06183	4.4
129.06947	10.9
131.08563	27.4
133.06496	3.1
133.10123	27.9
135.08054	5.6
135.11671	20.0
137.06009	3.7
137.09599	7.1
141.06990	4.0
142.07585	2.2
143.08565	15.0
145.06525	3.7
145.10114	23.0
147.08038	5.5
147.11696	18.2
149.09596	5.5
149.13211	14.9
151.11128	3.2
155.08559	8.5
157.10135	10.1
159.08041	5.9
159.11649	15.3
161.09628	5.1
161.13213	10.9
163.07521	2.2
163.14836	2.5
167.08519	3.8
167.10629	5.6
169.10130	7.4
171.11708	8.3
173.11687	10.2
173.13255	17.1
173.14529	3.0
175.11171	4.2
175.14822	5.2
177.12810	2.9
181.10129	5.1
183.11684	5.7
185.09720	3.1
185.13293	7.3
187.14761	6.6
189.12770	4.9
193.11894	3.0
195.11722	3.2
195.13792	5.4
197.13269	4.8
199.14854	4.8
211.14845	3.9
213.12787	2.9
215.14301	2.9
241.19464	3.5
243.21056	3.1
248.50426	2.3
259.20520	12.8
261.22137	14.6
273.22168	3.9
277.21552	4.7
285.22101	3.0
289.21631	2.7
301.21384	4.2
303.23160	9.3
319.22537	2.8
337.23315	3.3
339.23117	3.2
341.24701	3.5
351.23318	2.3
369.24127	15.6
387.25424	13.9
405.26202	14.3
423.27432	34.8
424.28159	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2735
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
51.57935	5.7
53.03936	7.8
55.05500	30.4
55.59189	5.6
57.03422	5.6
57.07060	9.6
64.20303	5.3
65.03922	6.9
67.05495	96.2
69.03425	42.9
69.07066	35.2
69.82544	32.3
71.04970	9.2
72.01918	6.6
76.45876	5.9
79.05488	60.3
79.44870	5.7
81.03407	46.3
81.07043	100.0
83.04965	16.4
83.08588	25.7
83.43484	6.3
85.02872	16.2
91.05488	49.2
93.07031	81.4
95.04933	23.6
95.08590	74.9
97.02862	18.7
97.06500	13.3
97.10148	8.8
98.20670	6.7
99.04455	9.3
99.08125	6.0
105.07015	60.9
107.04934	7.0
107.08585	57.1
109.06488	11.8
109.10135	30.8
111.04417	19.5
117.06982	20.4
118.06628	6.3
119.08552	54.6
120.26217	6.2
121.10107	34.9
123.04397	6.4
123.11677	20.5
127.03881	8.9
128.06213	6.7
129.05443	10.0
129.06989	15.0
131.08513	39.2
133.10107	38.4
135.08014	10.0
135.11656	27.2
140.57674	6.2
143.08522	14.4
145.06425	8.8
145.10107	31.5
147.07938	7.6
147.11685	31.6
149.13176	21.6
155.08444	6.8
157.10126	16.2
159.11668	25.0
161.09595	7.9
161.13237	23.7
163.14734	7.5
164.73250	5.8
169.10066	9.9
171.11646	10.6
173.13249	21.0
175.11105	7.6
175.14790	8.0
183.11705	8.6
185.13165	15.4
187.14799	9.5
209.15204	6.6
231.17538	7.0
241.19427	9.9
259.20471	21.5
261.22128	20.8
277.21609	15.4
283.20547	6.9
285.21811	7.3
291.23117	8.3
301.21597	10.1
303.23053	23.8
341.24777	10.7
345.24091	11.6
351.23083	10.1
369.24213	35.1
386.75787	6.6
387.25409	51.3
393.25558	6.5
405.26495	41.4
423.27127	32.4
423.32245	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.4
55.01865	11.1
55.05501	24.0
57.03419	8.3
57.07070	5.7
61.02910	2.6
65.03933	4.9
67.05496	100.0
69.03417	30.4
69.07056	28.2
69.99617	6.8
70.00050	7.1
71.01321	2.8
71.04993	11.3
73.02913	7.0
79.05482	68.7
81.03406	32.8
81.07044	90.9
83.04975	12.5
83.08614	15.4
85.02890	17.9
85.06547	4.7
87.17728	2.1
91.05467	68.1
93.07034	82.9
95.04948	18.3
95.08595	61.3
97.02866	10.1
97.06543	6.8
97.10147	6.8
98.21412	3.3
99.04433	11.4
99.08073	5.3
99.32140	2.3
103.03936	5.5
105.07019	55.2
106.07294	2.3
107.04958	7.7
107.08576	46.5
109.02870	5.6
109.06506	8.7
109.10129	41.5
111.04433	9.5
111.08048	5.7
113.05969	3.0
116.00166	2.5
117.05395	2.2
117.07000	26.3
119.08570	42.6
121.06508	4.5
121.10120	33.9
123.04433	3.8
123.08030	7.3
123.11703	10.8
125.09600	3.6
127.03915	4.0
127.07629	2.4
128.06187	5.1
129.05467	7.0
129.06998	14.8
130.07820	2.9
131.08549	38.1
133.06485	5.5
133.10114	32.5
135.08084	5.6
135.11693	25.1
137.09610	5.4
137.13211	4.9
141.06978	4.4
142.07813	3.6
143.08553	18.6
145.06459	4.9
145.10130	31.8
147.08052	6.4
147.11667	27.3
149.09610	6.7
149.13249	19.1
155.08542	7.9
157.10153	14.0
159.08061	7.7
159.11674	31.1
160.12006	2.6
161.09605	6.6
161.13222	18.5
163.11137	4.5
163.14774	6.2
165.06996	2.5
165.09019	2.4
167.08586	3.0
169.10104	7.0
171.08051	3.7
171.11682	14.6
172.08881	2.8
173.09578	3.3
173.11781	5.0
173.13214	22.5
175.11192	4.9
175.14835	7.0
177.12805	3.6
183.11688	5.2
185.09608	4.2
185.13257	7.1
187.14825	10.2
189.12682	4.4
189.16357	3.0
195.11714	3.4
195.13779	3.1
197.13136	5.9
199.14821	7.5
201.12703	3.6
201.16373	3.4
209.13342	2.5
211.14894	4.1
213.16415	4.4
233.15315	2.9
241.19490	5.1
243.21114	6.2
249.14690	5.1
259.20541	12.6
261.22086	23.0
273.22128	3.8
275.23630	2.5
277.21609	7.7
285.22049	4.3
289.21490	6.0
291.23288	4.3
292.44897	2.8
301.21698	4.0
303.23099	14.9
313.21716	3.7
315.23282	6.4
319.22552	4.2
327.23267	4.0
341.24481	6.6
345.23932	3.0
351.23141	6.1
359.25568	3.0
369.24243	25.4
387.25244	18.0
405.26440	25.2
423.27325	20.3
424.27734	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47116	1.5
51.30990	1.6
53.03946	11.7
54.18162	1.8
55.01866	17.3
55.05266	2.2
55.05506	25.3
57.03417	6.2
57.07063	5.1
59.04982	2.6
62.83138	1.9
65.03928	6.7
67.05500	100.0
68.05823	2.4
69.03422	32.0
69.07056	22.4
70.27467	6.8
71.01330	3.2
71.04985	12.0
73.02906	6.9
79.05483	74.0
80.05853	2.2
81.03404	31.8
81.07047	89.6
81.29274	1.7
83.04977	7.0
83.08602	9.8
85.02890	7.8
85.06559	2.5
91.05473	52.6
93.07037	93.7
94.50370	1.9
95.04946	13.2
95.08600	63.3
97.02883	71.4
97.06512	4.5
97.10165	3.6
99.04447	48.0
99.05053	3.8
101.02399	4.5
105.07020	34.8
107.04958	1.8
107.08584	42.0
109.02860	20.2
109.06537	6.3
109.10144	36.9
111.04398	3.8
111.08073	4.5
111.11707	1.9
116.49879	1.7
117.07014	16.2
119.08563	28.4
121.10139	45.7
123.08073	2.8
123.11704	11.5
127.03902	53.8
128.48103	1.9
129.05490	2.2
129.06992	6.5
131.04869	2.9
131.08562	27.4
133.06464	2.5
133.10123	22.4
135.11676	30.3
137.09589	2.6
137.13271	4.3
143.08536	6.3
145.04900	5.3
145.06497	2.9
145.10107	19.3
147.11655	20.6
149.09641	2.2
149.13235	17.5
151.11086	2.0
155.08572	3.9
157.10072	5.7
159.08066	3.0
159.11687	19.3
161.09644	2.8
161.13243	14.3
163.14769	4.5
171.11674	5.7
173.13232	11.2
175.14795	6.1
177.12787	2.0
183.11696	3.3
185.13278	2.9
187.11185	2.8
187.14824	6.6
189.12761	2.7
192.11566	1.9
199.14798	3.9
201.12706	2.5
213.12772	3.0
217.12117	1.8
231.24850	1.7
233.22668	3.1
241.19510	1.8
243.21074	10.0
246.61600	1.9
259.20496	7.5
261.22131	32.8
262.22763	2.5
273.22131	2.0
279.23181	2.0
306.20337	1.9
313.81186	2.1
329.24777	2.7
339.23196	2.1
357.24258	7.1
423.27524	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01867	10.7
55.05504	29.0
57.03434	11.9
57.07051	6.7
59.04987	4.8
65.03951	4.8
67.05500	100.0
69.03426	24.0
69.07064	30.2
71.04980	6.2
71.75079	4.2
74.31371	3.9
77.14561	3.4
79.05480	58.2
81.03413	35.7
81.07045	90.2
83.04980	12.4
83.08605	17.8
85.02898	13.6
85.06521	6.7
85.10179	3.6
91.05470	52.8
93.07034	68.6
94.95862	3.6
95.04976	20.4
95.08598	60.1
97.02898	11.7
97.06533	11.0
97.10162	8.0
99.04430	3.8
99.08100	8.1
105.07030	47.6
107.04939	8.7
107.08584	54.0
109.02876	6.9
109.06542	12.0
109.10149	48.6
111.04425	9.8
111.08089	8.8
117.06988	26.1
119.08563	44.4
121.06497	7.0
121.10142	42.8
123.04354	3.5
123.08063	11.4
123.11726	10.1
125.09663	4.5
127.03859	4.9
128.06218	3.7
129.07011	11.7
131.08560	40.2
133.06413	5.8
133.10115	32.5
135.08058	11.6
135.11700	25.3
137.09615	5.6
137.13286	6.1
141.07019	5.0
142.07855	5.2
143.08572	13.1
145.10103	31.8
147.08038	10.8
147.11719	21.0
147.30986	4.0
149.09639	8.1
149.13219	17.3
155.08563	7.5
157.10158	14.1
159.08038	5.0
159.11736	20.9
161.09554	3.8
161.13281	14.0
163.14870	5.8
167.10657	3.6
169.10149	6.9
171.11679	14.3
173.11818	8.3
173.13271	14.7
175.11212	6.2
175.14761	7.0
177.12865	4.2
181.10136	5.4
183.11687	7.1
185.13222	5.8
187.11194	5.5
187.14798	5.7
195.11720	4.4
197.13281	8.3
199.11128	4.6
199.14830	4.0
211.14822	3.8
213.16310	4.2
221.15381	4.2
227.14261	3.8
241.19464	6.5
259.20602	13.0
261.22137	13.6
271.08682	3.8
277.21579	8.1
289.21750	8.0
291.23337	3.7
301.21597	4.1
303.23145	20.6
341.24622	4.0
345.24228	7.1
351.23199	6.3
369.24152	18.7
387.25204	21.5
388.25464	3.7
405.17737	3.6
405.26480	28.2
423.27426	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	3.4
53.03938	7.4
55.01857	7.0
55.05502	30.7
57.03420	9.6
57.07074	2.9
58.81588	2.2
60.11374	2.4
63.54509	2.4
65.03929	5.8
67.05499	100.0
69.03426	28.2
69.07057	22.5
70.19892	5.5
70.20280	5.4
71.04987	6.5
73.02897	3.1
79.05483	53.2
81.03406	31.7
81.07047	80.6
83.04959	8.9
83.08603	18.1
85.02908	11.4
85.06531	5.5
87.04460	2.3
87.47012	2.5
91.05466	48.3
92.05810	2.6
93.07033	77.6
95.04940	19.5
95.08597	49.4
96.23376	2.5
97.02876	8.8
97.06525	5.5
97.10126	2.7
99.04438	6.6
99.08058	3.4
103.03894	3.1
105.07018	47.3
107.04941	8.2
107.08583	42.2
109.06506	9.4
109.10141	46.4
111.04433	5.4
111.08055	5.0
115.05421	3.1
117.07011	18.7
119.08569	37.4
121.06508	5.2
121.10123	32.9
123.08073	5.2
123.11720	8.1
127.03871	5.2
128.06183	4.4
129.06947	10.9
131.08563	27.4
133.06496	3.1
133.10123	27.9
135.08054	5.6
135.11671	20.0
137.06009	3.7
137.09599	7.1
141.06990	4.0
142.07585	2.2
143.08565	15.0
145.06525	3.7
145.10114	23.0
147.08038	5.5
147.11696	18.2
149.09596	5.5
149.13211	14.9
151.11128	3.2
155.08559	8.5
157.10135	10.1
159.08041	5.9
159.11649	15.3
161.09628	5.1
161.13213	10.9
163.07521	2.2
163.14836	2.5
167.08519	3.8
167.10629	5.6
169.10130	7.4
171.11708	8.3
173.11687	10.2
173.13255	17.1
173.14529	3.0
175.11171	4.2
175.14822	5.2
177.12810	2.9
181.10129	5.1
183.11684	5.7
185.09720	3.1
185.13293	7.3
187.14761	6.6
189.12770	4.9
193.11894	3.0
195.11722	3.2
195.13792	5.4
197.13269	4.8
199.14854	4.8
211.14845	3.9
213.12787	2.9
215.14301	2.9
241.19464	3.5
243.21056	3.1
248.50426	2.3
259.20520	12.8
261.22137	14.6
273.22168	3.9
277.21552	4.7
285.22101	3.0
289.21631	2.7
301.21384	4.2
303.23160	9.3
319.22537	2.8
337.23315	3.3
339.23117	3.2
341.24701	3.5
351.23318	2.3
369.24127	15.6
387.25424	13.9
405.26202	14.3
423.27432	34.8
424.28159	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.7
56.04988	1.5
57.07055	1.6
58.99572	7.0
61.01137	8.8
63.71073	1.1
67.05482	2.6
69.03401	3.5
70.06577	3.1
70.61301	1.8
70.61641	2.4
71.04976	1.4
72.04506	13.7
72.08139	6.7
73.02905	4.5
75.38078	1.3
76.02208	5.1
78.03777	21.5
81.03391	4.1
81.07050	1.5
83.04958	2.7
84.04474	2.7
84.08118	2.0
85.02886	16.0
86.06048	3.7
86.09690	5.1
86.99038	3.2
87.00813	1.4
88.02202	7.0
91.05465	4.0
95.04913	1.8
97.06520	2.5
98.02390	1.3
99.04431	7.2
99.05566	5.1
100.02183	10.5
102.03120	2.0
102.03756	30.9
102.07494	1.4
103.02135	4.6
103.03927	19.0
104.01656	1.6
105.00066	2.2
105.01831	2.4
108.04434	1.7
109.02842	6.0
113.05969	1.3
114.03719	4.1
114.05458	1.7
115.05027	1.6
120.04790	5.1
120.08105	5.9
122.05939	1.4
124.07578	2.4
126.05503	19.7
127.03897	10.2
129.10266	1.6
131.06354	13.4
131.07185	1.6
132.04774	17.4
136.07552	6.8
138.05418	1.3
142.08626	5.8
145.04936	3.3
146.02698	16.8
147.05820	1.7
149.07413	61.3
152.01653	2.2
152.07016	3.7
154.08594	2.7
156.06575	1.5
159.05861	4.1
175.05357	4.2
177.10271	1.6
180.06532	13.5
181.05013	1.6
184.09708	2.1
186.09091	2.6
190.08798	1.5
196.07515	1.5
197.07906	1.7
198.07600	4.2
198.09212	2.0
199.09514	1.5
202.08717	1.4
213.10202	1.9
214.08661	3.1
214.10522	1.9
215.11740	1.4
216.08549	2.1
218.08154	3.2
231.11519	4.8
235.10670	1.4
241.09569	5.6
242.08009	5.3
242.10190	8.5
243.11227	2.9
244.09538	2.4
244.11615	5.2
255.10963	1.4
256.09485	1.9
257.09525	2.1
259.10440	6.2
259.12994	1.9
260.09076	4.7
260.11157	5.8
261.12704	5.7
275.10553	2.2
283.10443	1.6
284.11356	1.8
285.12247	2.0
286.12607	4.9
293.11615	100.0
294.11868	1.7
301.11780	3.7
302.12421	11.5
303.13345	1.7
317.13638	2.3
318.14481	6.5
319.12897	1.9
327.09415	2.0
360.10907	1.9
363.10303	5.4
387.11316	2.0
405.11945	14.5
405.16867	33.8
423.13577	22.5
424.13284	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
55.01859	3.2
55.05481	2.0
56.29300	1.3
57.03410	3.9
58.99578	25.0
68.04346	1.2
69.03424	11.3
69.07050	2.3
70.06559	4.6
71.04964	2.3
71.74458	1.8
72.08144	7.8
73.02885	6.0
76.02232	7.0
81.03408	9.2
84.04477	3.0
84.08140	3.0
85.02455	1.7
85.02898	23.9
86.09673	3.6
86.99047	12.3
87.00826	7.7
88.03945	2.2
91.05472	15.3
92.05773	3.4
95.04919	2.7
96.04457	3.2
97.02880	11.4
97.06491	2.0
98.97542	1.7
99.04428	3.2
100.02188	62.6
102.03722	2.5
105.00067	13.2
105.01852	12.2
109.02852	7.8
116.98624	2.3
119.04912	1.8
120.08067	5.7
121.05195	1.6
121.06453	1.7
122.06033	6.6
123.04408	1.8
124.07574	2.3
126.65841	1.6
127.03893	16.3
129.10246	1.5
131.00142	1.6
131.06288	1.9
136.07544	10.1
137.05984	1.6
137.07027	1.4
138.05453	1.4
138.07823	1.9
145.04915	5.9
146.02693	100.0
149.07291	2.8
152.01633	12.1
158.08049	5.4
159.02859	3.1
161.05919	3.3
162.05486	2.9
162.09062	3.6
164.06975	2.5
165.09023	1.7
174.09009	1.7
176.06935	1.4
180.06398	2.0
181.04854	5.8
186.09091	3.4
188.10690	7.0
190.08604	5.5
198.09068	3.0
200.10698	2.0
209.09315	1.6
213.08859	2.0
214.08499	7.7
216.10118	4.4
217.09624	1.3
217.82411	1.3
218.08105	29.5
226.08443	2.0
228.10120	5.8
229.07274	2.4
230.08040	2.7
231.04961	3.8
232.09557	1.9
241.09460	3.3
242.08080	11.5
243.08731	1.6
244.08072	2.2
244.09799	12.6
254.08096	2.9
256.09656	9.1
259.10706	10.7
260.09180	32.0
272.07269	2.0
274.05243	2.5
274.10620	3.5
278.10193	18.1
282.07568	1.6
284.09000	2.4
286.10577	3.9
293.11548	6.0
300.06842	5.1
301.09229	2.7
302.09921	15.1
303.10675	2.7
304.11768	12.4
318.11932	9.9
319.12668	2.0
320.11139	6.6
334.07336	5.6
336.08972	3.4
343.11838	3.3
350.49139	1.4
360.10236	2.5
363.09979	19.6
377.11600	7.4
405.11200	9.4
405.16049	1.3
423.12082	55.4
427.12418	2.7
442.11328	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54768	2.7
55.01860	5.1
56.05033	2.8
58.99575	9.6
62.06078	3.3
67.05489	2.7
69.07066	5.2
71.22198	5.7
76.02225	64.7
76.03998	3.4
79.05474	7.9
83.06083	3.1
84.04497	27.4
85.02859	4.0
95.04975	3.2
97.06521	100.0
113.75961	3.2
116.01646	14.8
129.03697	5.0
129.06639	3.2
130.05023	17.5
142.03174	8.2
144.01114	9.5
155.05257	2.8
158.73238	2.7
162.02190	30.5
165.64560	2.7
172.07861	4.8
177.03271	16.6
179.04851	75.1
185.03897	3.3
187.05328	3.5
233.05971	15.7
275.10590	6.1
291.06244	3.8
308.09079	35.2
343.95200	2.7
423.12192	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2684
Annotation	(-)-Terpendole B
Peak:m/z	Relative Intensity
50.13451	0.5
51.18350	0.4
52.99162	0.4
54.59350	0.5
55.05501	0.8
57.07064	2.5
60.25306	0.5
65.03928	0.8
67.05477	1.0
69.03387	0.7
69.07009	0.7
69.90658	1.4
69.91071	1.5
70.06585	4.2
71.08573	0.7
72.32943	0.5
79.05460	1.3
81.07038	0.7
85.44905	0.4
87.03956	0.6
87.04456	11.3
88.07194	0.5
88.07613	5.7
91.05468	4.2
93.06992	0.7
95.04938	1.2
95.08584	0.7
102.09163	4.3
103.05403	0.5
105.06984	1.8
107.08537	0.6
115.05390	1.6
117.05744	4.7
117.06952	0.6
118.06525	0.6
119.08532	1.1
129.07010	1.0
130.06499	1.0
132.08000	1.7
139.03850	0.6
142.06435	1.5
143.07234	0.7
146.09607	0.7
147.10321	0.9
148.07550	0.9
149.02327	22.3
149.03426	1.4
150.02466	0.5
150.09157	2.9
154.06444	0.7
155.07240	0.5
156.07999	2.1
158.09575	1.8
160.11139	0.8
166.06487	8.4
167.07309	5.4
168.07953	1.4
170.09538	1.2
171.10333	2.0
172.11201	0.9
176.60896	0.5
180.08032	1.6
182.09633	58.9
183.09914	1.5
184.11191	2.9
185.11879	0.5
192.07986	0.8
193.04941	25.0
193.08751	1.0
194.09625	2.3
195.10289	0.6
196.11066	0.7
197.11819	1.0
198.12691	0.9
204.08018	2.6
205.08768	0.7
206.09607	2.3
207.10358	0.7
208.11179	3.2
210.12755	2.9
217.08786	0.7
218.09602	4.1
219.10291	0.6
220.11197	6.0
221.11855	1.6
222.09186	2.6
222.12718	6.6
223.09875	0.6
223.13396	1.1
223.46986	0.5
224.14304	1.0
232.11119	2.5
234.08981	0.8
234.12750	5.7
236.10564	1.7
236.14333	2.8
237.11368	0.6
238.12199	3.1
238.15820	0.7
246.12660	1.3
247.13463	1.7
248.14130	2.1
250.12067	1.8
256.23672	0.8
256.26324	12.6
260.14420	2.6
261.15143	0.4
262.15851	0.6
264.13739	1.6
265.14426	0.5
268.13272	5.6
274.15799	1.6
302.19070	0.8
308.23566	0.7
318.22040	2.5
320.20142	1.1
333.24182	0.5
336.23160	18.2
337.23132	0.6
377.26251	5.2
395.26889	0.5
422.26764	100.0
423.27203	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	14.0
56.04997	2.5
57.07048	6.9
65.03933	2.3
67.05492	14.6
69.07054	17.2
69.61368	3.2
69.61774	10.6
70.06573	2.5
74.06055	6.7
75.52322	2.0
77.77090	2.1
79.05479	17.1
81.03414	4.9
81.07048	39.3
81.61684	1.9
83.08578	9.0
85.02892	3.2
86.09692	100.0
91.05469	25.7
93.07032	34.4
95.04929	4.7
95.08590	60.0
97.02917	2.1
97.06502	13.6
97.10134	3.1
98.20644	3.5
105.07010	47.5
107.04952	3.1
107.08567	38.3
109.06503	3.0
109.10122	30.9
111.04504	2.4
111.11726	2.8
115.05427	3.7
117.07005	12.4
119.04996	2.1
119.08562	30.2
120.08090	12.2
121.06511	2.7
121.10119	28.9
123.11686	14.1
125.05980	5.7
126.05505	4.4
128.06189	4.2
129.07004	19.8
130.72174	2.4
131.08546	54.1
133.10124	22.1
135.11679	24.9
137.05997	2.4
137.13225	12.4
139.07516	2.7
141.06929	6.6
142.07742	8.8
143.08525	31.9
144.09279	3.7
145.06487	4.0
145.10097	46.0
147.07957	2.3
147.11673	23.5
149.13251	16.7
151.14894	2.7
155.08534	7.9
156.09311	18.2
157.10094	26.0
159.11667	28.6
161.02307	2.8
161.13226	14.0
163.03816	2.9
163.07449	3.5
163.14784	5.7
166.08553	3.7
167.08446	2.5
169.10054	10.5
170.10754	2.8
171.08025	3.1
171.11670	38.4
173.02267	3.5
173.09579	2.4
173.13246	15.7
175.07452	2.7
175.14793	8.1
177.16344	3.5
179.06973	2.5
183.11623	6.6
185.13228	73.1
186.13737	3.6
187.14798	14.5
189.05380	2.9
189.16353	23.7
191.17917	41.5
192.18227	2.8
195.11601	4.0
196.12439	2.8
197.13220	4.8
199.14848	6.0
201.16327	8.9
203.10611	2.8
203.14233	5.1
203.17905	21.2
205.19487	7.6
209.13167	3.7
211.14616	3.8
213.12679	4.8
213.16371	5.1
213.25385	2.6
215.06950	5.7
215.17877	2.6
217.12312	3.1
217.19365	4.6
219.06471	2.3
223.14738	2.7
225.16292	2.9
229.19513	2.8
231.06676	3.9
231.13765	19.5
233.08054	4.8
237.16373	4.3
239.13895	9.9
239.17815	2.9
241.12242	2.8
243.13887	2.1
251.17790	2.3
252.12073	2.1
259.09720	14.3
279.16995	12.1
279.21121	2.6
283.16830	2.7
285.18668	2.4
299.09125	3.5
351.22809	3.0
365.24432	3.6
375.30334	12.8
379.26712	2.3
421.12115	5.0
421.30981	57.7
422.31219	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54081	1.0
53.03936	2.8
55.01858	2.1
55.05511	6.3
57.03431	13.9
57.92400	0.9
67.05503	12.8
69.03415	3.2
69.07063	3.3
70.06587	1.6
71.04971	2.2
71.74396	1.4
72.08150	1.5
79.05475	10.2
81.03410	89.6
81.07047	11.7
82.03728	1.9
83.04971	4.4
83.08607	14.3
85.02865	2.3
91.05465	13.9
93.07056	5.8
95.04956	23.7
95.08600	5.6
97.02889	3.5
97.06528	2.7
98.98457	44.8
104.63047	1.1
105.07011	10.9
107.04954	6.6
107.08603	5.0
109.02835	1.5
109.06497	5.0
109.10161	2.1
111.04408	1.4
111.08064	6.2
116.99480	1.9
117.07014	2.3
119.04898	1.2
119.08569	12.7
121.06492	3.0
121.10150	5.1
123.08026	1.7
127.03942	1.8
128.06226	1.0
129.07010	8.7
131.08562	6.2
133.06476	3.2
133.10132	3.2
135.08105	1.3
136.99986	3.4
137.05957	1.6
137.09567	1.2
140.31174	1.0
142.07785	2.7
145.10141	1.5
145.13904	1.2
147.08032	3.7
147.11656	6.0
149.09596	2.6
155.01019	41.2
157.10107	6.8
163.11234	1.1
165.12683	1.1
175.11145	6.9
186.35097	1.1
193.12224	42.7
194.12567	1.7
201.09142	1.6
211.03583	2.1
211.13313	1.4
213.12659	1.2
215.07050	1.6
229.04865	3.4
231.13823	1.4
249.14851	6.6
259.09521	2.4
267.15884	100.0
268.16257	3.9
347.12491	2.2
375.05835	1.3
398.07275	1.3
403.15222	15.3
421.23340	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.05506	1.2
56.38359	0.5
57.07058	1.1
67.05501	4.2
68.99870	0.5
69.03426	3.7
69.07056	3.2
70.26794	1.9
71.04975	0.9
73.02866	0.7
79.05486	8.7
81.03406	2.3
81.07045	100.0
82.07383	1.7
85.02892	8.3
87.00832	2.9
93.07034	1.4
95.04981	0.6
95.08598	16.0
97.02880	6.2
99.04443	1.4
105.01859	6.2
109.02875	1.8
109.10095	1.2
127.03903	8.1
137.13239	20.6
138.13684	0.6
145.04958	4.6
159.02902	1.3
231.04988	2.6
284.09671	0.9
294.24353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.5
55.01864	13.9
55.05492	6.6
57.03434	9.0
57.07068	9.1
60.04507	2.0
61.02914	5.2
67.05499	10.2
68.99783	4.9
69.03420	38.3
69.07056	24.7
70.81226	5.0
71.01367	1.6
71.04974	8.6
71.08622	1.8
73.02911	9.3
79.05490	14.3
80.05808	1.6
81.03408	44.8
81.07048	74.8
81.07530	3.9
83.04967	2.1
83.08612	17.6
85.02895	100.0
87.00815	41.0
91.03944	2.1
91.05461	9.5
93.07046	18.1
95.04951	5.2
95.08592	31.7
97.02882	48.5
97.06506	4.3
99.04442	17.2
103.03918	2.3
105.01849	40.8
105.07023	16.0
107.04972	3.2
107.08598	15.1
108.04443	6.4
109.02867	33.9
109.06525	2.3
109.10120	6.9
111.08031	2.0
111.11694	2.8
113.02393	1.7
115.03885	10.6
117.01840	3.7
117.06978	4.0
119.08573	14.4
121.06496	2.3
121.10125	9.5
123.04382	2.5
123.08060	3.5
123.11694	8.3
125.05981	2.4
127.03896	64.6
128.16856	1.8
129.01804	4.4
129.06961	3.4
131.08556	8.0
133.06465	2.7
133.10110	5.2
135.08005	5.3
135.11691	8.9
137.09613	2.3
137.13243	30.7
143.08516	3.6
145.04929	31.1
145.10106	4.6
147.02907	3.2
147.07973	2.9
147.11687	7.7
148.68822	1.7
149.05960	1.9
149.09601	3.2
149.13237	11.7
155.08595	3.0
155.14290	2.0
157.10136	5.3
159.02879	27.3
159.08040	1.8
159.11661	7.3
161.13226	6.3
165.12761	4.1
171.02864	1.8
171.11642	3.2
173.13226	3.0
177.12849	2.0
189.03870	3.4
189.09149	1.6
191.14305	2.2
197.13348	3.0
199.14824	2.1
201.03946	2.3
213.03938	2.8
215.14346	2.8
219.05051	1.9
220.67130	1.8
227.14334	4.1
231.04953	16.8
233.15366	3.2
245.15456	7.9
245.17525	1.7
249.06035	3.0
263.16449	3.5
310.18387	1.6
315.42081	1.6
327.19373	1.7
328.19891	4.3
355.71286	1.7
398.27386	1.6
402.23322	2.4
420.24277	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69877	0.5
53.03940	2.2
55.01860	1.5
55.05499	1.1
57.03420	1.6
57.07071	2.3
61.02922	0.8
64.19756	0.6
67.05502	6.1
69.03434	4.8
69.07062	6.1
70.47140	1.3
70.47542	1.0
71.04965	0.7
73.02923	0.7
79.05481	9.9
81.03404	4.1
81.07047	100.0
82.07402	1.5
83.04972	0.9
83.08597	1.0
85.02386	0.7
85.02897	14.1
87.00819	5.4
91.05477	1.8
93.07038	2.5
95.04954	1.6
95.08598	20.3
97.02881	6.8
97.06506	0.7
98.21398	0.7
99.04442	2.5
105.01851	8.8
105.07042	1.1
107.04969	0.8
107.08603	1.6
108.04447	0.7
109.02870	3.0
109.10125	3.0
117.06979	0.9
119.08554	1.0
121.10160	0.8
123.11694	0.9
127.03893	12.0
127.66619	0.6
131.08553	0.8
133.10081	0.7
135.11699	1.4
137.13234	23.2
145.04941	6.2
146.05371	0.5
147.08046	0.6
154.15874	0.6
156.95695	0.6
159.02888	2.4
163.11447	0.5
165.01601	0.5
195.81459	0.5
231.05063	3.6
249.06058	1.3
320.23459	0.6
328.19888	2.2
394.33887	0.6
420.24606	2.1
433.38293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.0
61.53820	0.7
67.05490	3.4
69.03418	3.3
69.07063	1.8
79.05484	6.7
81.03397	3.8
81.07049	100.0
82.03731	1.3
82.07397	1.3
85.02903	6.7
87.00807	2.9
91.05489	2.5
93.07033	3.0
95.04945	1.7
95.08597	7.7
97.02859	3.2
97.06520	2.0
98.20636	2.0
99.04438	0.9
105.01848	9.8
105.07063	1.1
109.02863	1.3
109.10159	1.0
119.08542	1.3
127.03950	5.0
137.13237	33.5
145.04945	3.8
170.76003	1.0
194.11711	1.1
231.04979	2.7
249.06085	1.4
284.09885	1.2
420.24423	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32851	0.5
53.03930	0.8
53.93086	0.4
55.01863	0.7
57.03431	19.5
59.04996	0.6
61.02915	6.9
65.03925	1.1
65.80236	0.5
66.01181	0.5
69.03421	17.7
70.99705	1.4
71.01346	1.5
73.02908	42.0
79.79900	0.4
81.03397	4.0
82.03736	0.5
85.02895	32.3
87.00826	0.6
87.04458	1.8
91.05469	100.0
92.05805	1.6
97.02881	45.8
98.20729	0.5
99.04433	1.6
105.01840	0.8
105.07028	1.8
109.02881	2.6
115.03918	25.2
117.07025	1.4
127.03899	11.5
129.07027	1.7
132.06566	1.3
133.04964	5.9
133.06482	1.6
143.03410	0.6
143.08583	0.7
144.06569	0.6
145.04956	11.5
145.06494	1.9
150.07588	4.9
153.06955	0.6
157.06511	1.9
159.08046	1.2
161.04446	3.1
163.06017	3.7
171.08102	1.5
175.07565	1.3
180.08606	0.6
187.07506	1.5
193.04901	0.7
205.08611	1.9
217.08659	2.6
223.06038	2.3
231.04897	0.5
233.30913	0.5
235.09506	3.0
241.07027	3.4
253.10712	3.0
259.08200	2.0
271.11670	0.9
288.14389	0.6
295.10217	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34106	1.8
55.01857	5.9
57.03431	15.0
59.04979	2.0
61.02920	14.0
62.05935	1.6
69.03414	22.0
70.79834	3.0
70.80170	1.9
71.01335	2.8
73.02905	70.3
74.59718	1.6
81.03398	5.0
81.68038	2.1
85.02894	62.8
87.04465	4.1
91.03954	3.3
91.05468	100.0
92.05795	1.9
97.02878	61.9
99.04428	3.4
103.03928	3.3
105.07008	5.0
109.01171	1.5
109.02856	4.6
115.03918	25.5
117.07018	3.2
127.03906	24.6
129.07007	2.3
132.06602	1.9
133.04948	31.0
133.06485	5.2
145.04941	30.8
145.06154	2.2
145.06557	1.9
150.07616	3.4
157.06445	2.4
161.04538	2.4
163.05983	13.0
191.45578	2.0
205.08543	3.5
217.08640	4.3
223.06007	6.8
241.07053	8.0
253.10692	2.0
259.08054	4.7
295.10110	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
55.01861	4.4
55.05499	5.7
56.05021	4.5
57.03425	7.9
58.99569	5.9
60.04516	1.8
61.02912	5.4
66.89333	1.8
67.05499	19.8
68.99809	2.2
69.03425	32.9
69.07061	6.1
69.59765	14.1
70.06584	18.7
70.77308	1.8
71.01343	2.1
71.04982	4.4
72.08163	5.0
73.02901	5.0
74.06066	2.0
76.02222	41.2
77.10505	1.8
78.50240	1.8
80.05009	2.5
81.03412	35.4
81.07047	3.3
83.04962	2.7
84.04494	27.6
84.08125	3.9
85.02898	85.9
86.09691	5.9
87.00819	37.5
91.05470	7.1
93.07028	7.7
95.05003	2.4
95.08605	40.8
95.09196	4.1
97.02885	69.6
98.98428	1.9
99.04436	12.0
101.07126	3.3
102.05543	5.4
105.01858	88.1
105.06993	3.1
107.08579	2.7
108.04446	5.3
109.02870	41.3
112.08696	3.3
114.33997	1.8
115.08674	2.7
116.01658	8.7
118.44199	2.1
119.08547	2.0
120.08100	20.5
125.07013	2.0
126.05506	2.8
127.03908	100.0
127.08638	3.0
129.01784	2.3
130.05006	7.8
134.99593	1.9
136.07591	14.3
137.05942	2.9
142.03162	2.9
144.01123	6.8
145.04955	33.4
145.10080	1.9
147.11729	2.3
149.09647	3.3
159.02885	5.9
162.02184	18.5
165.09238	1.7
177.89252	2.0
179.04865	39.3
183.10086	2.0
188.10991	4.5
189.03810	2.3
193.09682	2.8
205.15851	2.4
213.03955	6.1
217.08206	2.9
218.08521	2.9
231.04984	40.1
233.05885	7.1
237.02826	2.4
245.06035	2.4
248.07637	4.2
249.06047	29.7
266.08694	16.3
287.11102	2.6
291.13849	3.8
305.12305	9.9
308.08908	11.4
311.06689	2.3
336.40341	2.2
340.15912	7.2
346.13104	3.2
347.08618	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01855	4.1
55.05506	10.0
57.03433	6.5
65.03918	1.9
66.01227	0.8
66.57010	0.8
67.05496	33.8
69.03416	4.3
69.07063	11.9
69.11137	0.9
71.01335	2.0
71.04974	3.7
71.36349	1.5
71.36697	1.3
79.05483	31.3
81.03410	100.0
81.07051	22.4
82.03741	1.4
83.04977	8.9
83.08612	1.4
85.02866	4.7
85.06516	1.8
87.00814	1.0
91.04911	1.8
91.05471	34.2
92.05824	0.9
93.07034	34.2
95.04964	13.8
95.08602	11.0
97.02875	4.0
97.06515	9.1
97.10152	5.1
99.04390	1.3
99.08105	1.1
105.01862	1.5
105.07024	11.6
107.04949	4.0
107.08584	17.9
109.02882	1.7
109.06490	3.5
109.10134	4.6
111.04408	1.6
111.08051	1.2
115.05460	1.3
117.07000	7.8
119.08569	21.9
121.06503	9.1
121.10095	5.0
122.01365	0.9
123.04420	1.1
123.08069	4.2
125.09621	1.3
127.03922	2.4
127.98314	1.0
129.07008	4.6
130.07857	1.2
131.04855	1.7
131.08536	4.7
133.06470	3.0
133.10091	4.4
135.08058	4.0
135.11673	29.4
137.09601	19.8
137.13216	2.4
141.06921	1.6
143.07010	1.1
143.08572	2.3
145.06485	2.1
145.10109	8.2
147.08009	6.2
149.09598	2.4
151.07542	1.5
153.06943	1.1
155.08568	2.4
157.10092	3.0
159.02841	1.0
159.08040	2.1
159.11702	2.9
161.09540	2.4
163.11151	5.9
165.09106	26.1
166.09511	1.0
167.08537	1.6
171.07909	1.1
171.11607	2.4
175.07645	0.9
175.11168	2.4
177.05414	1.0
177.09073	3.3
181.12233	3.5
185.09618	1.1
187.11237	1.2
188.17409	1.2
189.93559	0.9
195.11629	1.5
203.10664	3.0
221.11650	2.3
223.13196	1.1
255.15942	2.4
273.18524	1.1
299.19943	1.3
301.17859	5.0
309.18411	1.5
327.19531	11.7
345.20673	1.3
375.21631	3.1
401.23297	3.6
419.11545	1.9
419.24258	41.6
420.24686	3.3
420.33978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.8
55.01860	7.8
55.05509	5.1
57.03426	16.2
58.66660	1.9
60.04520	2.4
60.27522	1.7
60.38240	1.8
61.02922	46.9
67.05497	20.0
69.03426	27.4
69.07046	4.2
70.80146	5.2
70.80492	2.1
71.01337	4.2
71.04990	6.2
72.08149	15.4
73.02913	24.0
79.05486	12.2
81.03413	63.1
81.07047	6.6
83.04978	6.6
84.40999	1.7
85.02898	54.3
85.03391	3.7
86.09694	5.4
87.04449	2.1
91.03955	31.7
91.04501	3.5
91.05470	81.5
92.04228	2.1
92.05853	2.5
93.07034	24.5
95.04945	5.1
95.08592	15.8
95.34422	1.8
97.02888	38.1
99.04439	6.5
101.02386	9.2
103.03935	5.6
105.07036	14.3
107.04964	3.6
107.08633	2.1
109.02868	11.4
109.10135	13.2
110.07141	1.8
115.03956	3.2
116.07100	2.2
117.07009	4.2
119.08571	100.0
121.06493	6.7
121.10148	3.3
127.03924	18.6
129.05429	3.7
129.06985	4.2
129.10211	1.6
135.08037	3.5
137.09596	46.4
145.04930	5.5
147.08043	22.6
165.09099	65.0
166.09438	1.8
183.06560	2.3
183.10167	26.4
201.07564	2.3
202.36510	1.8
239.12793	9.9
257.13837	43.4
258.13965	2.1
270.14487	3.6
334.58478	1.9
343.19073	1.8
376.82697	1.8
415.74057	2.3
419.13303	7.4
419.18845	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06569	2.9
70.59676	4.7
72.08146	4.8
73.02931	2.0
73.06560	2.0
74.06054	2.5
80.91183	1.6
84.04490	3.8
84.08119	3.9
85.02834	1.8
86.09658	9.6
101.84394	2.1
103.05457	7.4
113.83385	1.7
119.48872	2.0
120.08094	100.0
124.07560	2.1
127.37025	1.7
129.10217	2.1
130.05025	2.8
131.04933	2.7
147.07664	2.7
147.23518	2.1
149.05891	2.2
166.08626	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
71.73297	0.4
91.83353	0.3
94.93005	14.3
109.51102	0.3
112.89594	2.2
114.89317	0.9
120.94544	1.8
124.71474	0.3
125.41220	0.4
136.94008	100.0
137.94342	0.9
148.94012	30.0
149.94298	0.5
155.76288	0.4
162.95547	0.4
166.95068	54.0
167.95422	0.8
178.95038	2.8
187.00385	0.3
190.95053	1.2
196.96126	17.6
202.88959	0.8
208.96080	2.6
220.96172	0.9
238.97174	2.1
256.98227	11.6
353.08142	0.3
419.03479	12.8
420.03671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.3
55.01862	4.5
55.05506	1.9
57.03424	1.7
57.07066	2.7
61.02913	2.0
65.03967	1.3
67.05488	3.2
68.99761	1.1
69.03419	7.6
69.07062	2.9
71.04980	1.8
73.02905	2.4
74.06059	4.1
74.09707	10.9
79.05486	50.0
81.03409	9.8
81.07047	3.2
85.02896	29.9
85.03387	1.9
87.00816	11.2
91.05462	16.9
93.07034	100.0
94.07365	1.9
95.04959	9.2
95.08624	1.5
96.91242	1.3
97.02892	11.1
97.06534	2.6
99.04436	4.3
105.01862	18.3
105.04513	2.8
105.07011	3.5
107.08584	38.8
108.04487	1.4
109.02872	9.4
109.06522	1.9
119.08585	1.9
127.03898	23.9
129.01836	1.4
133.42151	1.2
135.11681	42.8
145.04942	12.1
152.14319	7.4
159.02913	7.3
167.07042	1.6
231.04987	8.6
248.07654	1.6
249.06015	3.4
267.88190	1.1
352.14624	1.2
392.89380	1.2
400.10916	2.9
406.01184	1.3
418.12018	2.4
419.11282	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2784
Annotation	Machillene
Peak:m/z	Relative Intensity
53.03927	4.2
55.05498	13.4
56.68383	3.3
56.96546	5.3
57.07071	4.8
62.19706	3.1
64.41143	3.1
65.03921	4.2
67.05499	25.7
69.03432	4.9
69.07058	20.1
70.42339	14.6
71.04984	4.9
73.02901	3.9
79.05491	24.0
81.07050	41.5
83.08598	5.9
85.02903	4.2
85.06525	4.3
91.05468	45.4
93.07040	50.5
95.04967	7.6
95.08601	29.3
97.06511	6.2
97.10081	4.2
103.05450	5.9
105.07015	72.7
107.08582	48.8
109.06502	68.5
109.10128	33.4
111.08107	4.3
115.05465	4.1
117.07026	22.2
119.08564	93.3
121.06492	8.4
121.10128	65.7
123.08049	12.2
123.11681	20.8
128.06190	9.3
129.07005	13.7
130.07805	4.0
131.08551	42.8
133.10115	66.0
135.08055	16.2
135.11668	41.0
137.05923	4.2
141.06993	4.0
142.07784	14.6
143.08542	35.7
144.09337	5.8
145.10100	46.8
147.08002	18.5
147.11708	15.1
149.09616	15.3
149.13341	6.4
151.11148	4.7
152.11052	3.6
155.01035	3.2
155.08562	19.2
156.09357	13.6
157.10118	47.3
158.10796	4.1
159.08087	9.3
159.11662	27.4
161.09543	16.0
161.13264	4.5
163.07515	5.0
163.11197	6.6
165.07014	6.6
167.08583	7.8
168.09280	6.3
169.10153	30.5
170.10855	5.7
171.11658	34.0
173.09631	9.7
173.13258	28.7
175.11217	14.0
175.14777	14.3
177.12761	4.6
177.16460	4.0
179.08582	11.1
180.09366	8.7
181.10081	18.6
182.10889	5.3
183.11690	31.4
185.09616	8.7
185.13229	18.3
187.11208	8.9
187.14772	22.0
191.08556	3.6
192.09380	9.9
193.10118	16.2
194.10956	7.5
195.11685	29.5
196.08871	4.1
196.12457	4.4
197.09618	7.2
197.13168	17.1
199.11101	16.0
199.14865	15.2
201.12813	5.8
203.08733	3.5
203.10677	3.9
205.10158	7.5
205.11998	3.8
206.10938	8.6
207.11685	20.4
208.12474	6.7
209.13240	20.9
210.10246	3.1
210.14069	4.1
211.11220	10.7
211.14784	12.2
213.12738	5.9
213.16420	13.6
216.09111	4.6
217.10132	4.3
219.11687	10.5
220.12497	9.3
221.13268	16.6
222.13983	3.6
223.11241	7.4
223.14803	12.6
225.12755	10.4
225.16379	7.9
227.14354	5.8
229.10118	4.0
231.11676	8.6
233.13219	12.9
234.13916	6.0
235.14729	13.5
237.12744	9.3
237.16455	8.8
239.14308	6.6
239.17995	9.0
239.49951	3.6
241.19576	11.4
244.12544	8.3
245.13223	6.1
246.13934	6.0
247.14781	10.4
249.16342	4.2
251.14207	4.8
251.18109	5.7
253.15680	6.1
257.13181	5.6
259.14798	6.2
260.15515	4.8
261.16415	4.9
263.14139	4.7
263.17749	4.3
267.17410	4.6
269.19003	4.6
270.14038	5.1
273.16174	6.3
277.15775	14.1
279.17316	5.2
281.18948	6.8
285.16296	7.9
293.18967	7.4
295.17169	7.1
295.20517	4.1
297.22128	4.1
301.19388	5.7
317.22562	4.1
321.13693	5.4
341.22659	4.2
349.16840	8.2
357.25757	10.7
359.23724	12.7
361.21692	4.5
367.18033	4.1
375.26782	15.6
399.26682	30.1
417.27728	100.0
418.28125	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01864	8.1
55.05497	16.9
57.03415	5.0
57.07073	2.1
57.92435	1.4
58.42037	1.5
64.83879	1.9
65.03925	3.2
67.05494	51.0
69.03410	2.9
69.07064	17.9
70.94682	4.8
71.04975	3.9
74.56253	1.6
79.05479	44.5
81.03398	5.4
81.07047	51.5
82.07378	2.3
83.04961	4.1
83.08599	8.0
85.06547	3.6
91.05463	63.4
92.05807	1.9
93.07035	37.7
95.04958	12.2
95.08579	23.8
97.06516	12.6
97.10148	4.1
99.08121	2.1
103.05437	3.5
105.03394	2.0
105.07017	49.3
105.79912	1.6
107.04935	7.3
107.08569	18.0
109.06498	8.8
109.10117	9.7
110.21288	1.7
115.05442	4.9
116.06195	2.9
117.06998	30.0
119.08568	42.4
120.08886	12.8
121.06493	7.1
121.09290	3.3
121.10120	10.6
123.08070	4.7
123.11707	1.8
125.09636	3.4
128.06235	9.2
129.06975	22.2
131.04964	1.9
131.07631	3.3
131.08545	41.2
133.06462	3.5
133.10112	14.8
135.08012	6.1
135.11691	4.9
137.05983	1.8
137.09557	2.4
141.06982	10.3
142.07751	3.4
143.08557	24.0
143.24919	1.7
145.06456	5.9
145.10104	23.2
147.08044	4.5
147.11664	4.5
149.09593	7.0
149.13213	2.3
155.08565	10.2
156.09360	2.7
157.06471	4.5
157.10124	16.0
159.08003	4.0
159.11685	10.0
161.09596	6.1
161.13190	3.4
161.17404	1.8
163.11176	4.2
167.08556	6.1
168.09360	1.9
169.10129	12.4
171.07974	3.5
171.11691	13.5
171.12968	2.3
173.09700	3.3
173.13263	7.0
175.14850	1.8
177.09137	2.3
179.08450	1.6
181.10078	8.7
183.11676	11.4
185.09714	3.5
185.13226	8.8
187.11171	9.8
187.14787	2.7
189.12685	2.9
193.10159	2.1
195.06610	2.0
195.11694	7.9
197.13232	4.8
199.11215	8.4
199.14868	4.9
201.12715	3.7
203.06966	2.1
203.14323	3.0
207.11700	2.0
209.13268	3.6
211.11195	2.3
213.12758	5.1
213.16243	1.6
215.14288	2.3
223.14900	4.1
227.14333	2.8
231.13715	2.2
231.55559	1.9
245.15437	2.2
263.12238	2.3
297.22098	7.6
305.16681	1.5
307.20514	7.4
315.23227	9.3
325.21613	32.6
343.22629	28.4
344.23038	2.0
361.23721	7.6
399.25323	3.9
417.26337	100.0
418.26636	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.05503	9.7
57.03435	6.6
57.07061	4.7
65.03931	1.7
67.05498	55.7
69.07056	13.2
70.70292	2.8
70.70663	2.3
71.04976	1.2
71.08630	2.9
74.65242	1.1
79.01534	1.1
79.05488	18.5
80.97456	1.2
81.03399	1.9
81.07049	65.7
83.04955	1.7
83.08615	9.2
85.06518	1.5
85.10179	1.3
91.05470	10.9
91.10069	1.1
93.07043	18.4
95.04955	2.2
95.08603	55.1
96.08936	1.5
97.06528	6.4
97.10158	4.5
98.98461	84.2
99.08096	3.2
105.07014	12.0
107.08578	14.4
109.06495	2.6
109.10144	29.6
111.08080	5.6
111.11740	1.4
113.09630	2.1
116.99510	3.7
119.08589	7.9
121.10130	14.3
123.11701	14.4
125.09611	1.4
125.13299	1.2
126.85495	1.1
133.10115	11.3
135.11673	10.0
137.13249	7.8
147.11691	6.4
149.13254	8.3
151.14830	8.1
155.01028	100.0
161.13310	6.5
163.14799	6.8
165.16377	4.0
175.14816	5.7
177.16508	1.8
179.18074	1.3
189.16452	3.8
196.03693	1.4
234.35275	1.4
245.22649	21.6
263.23688	51.6
264.24121	2.7
283.00052	1.2
300.34546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	0.4
55.05498	0.7
56.05021	0.3
57.03416	0.4
60.04497	0.5
63.42391	0.3
65.03941	0.3
67.05479	0.5
67.39098	0.3
69.03414	0.7
69.07065	0.6
70.06577	1.5
71.04992	0.5
71.07383	0.3
71.74195	0.3
71.74598	0.5
72.08146	5.9
73.02897	0.3
74.06074	1.0
76.66922	0.3
79.05489	0.6
81.03428	0.4
81.07027	0.4
84.04519	0.6
85.02892	1.2
86.09697	9.0
87.05569	0.4
88.03949	0.3
89.15873	0.4
91.05441	0.5
93.07040	0.6
94.56060	0.3
95.04924	0.8
95.08595	0.6
99.04414	0.3
105.07006	1.5
105.07648	0.3
107.04955	0.9
107.08543	0.4
109.02874	0.5
109.06531	0.4
112.07598	0.3
115.05471	1.0
117.07002	0.5
121.02832	0.4
123.04421	1.1
125.06044	0.4
127.03909	0.7
131.01884	0.6
132.10139	0.4
133.10062	0.4
137.05923	0.4
145.03413	0.7
145.06488	0.7
146.11699	0.4
147.04361	0.5
155.01907	0.6
155.05988	0.4
157.03474	0.4
159.11266	1.7
161.02995	0.5
163.03882	0.6
165.01747	0.7
167.07024	9.5
171.06688	0.5
173.02969	0.5
173.05989	1.4
181.04890	2.0
183.02832	0.6
187.10823	1.4
191.03455	1.1
197.09303	0.5
201.12320	0.7
203.13936	0.3
215.10228	0.4
217.15398	0.5
219.02919	2.2
221.05081	1.6
223.60506	0.4
231.02893	0.6
231.16948	1.9
233.08066	0.8
249.03938	0.5
261.03922	0.8
285.07620	0.8
285.12863	1.3
286.17554	0.6
297.07642	0.7
303.12927	1.1
339.08691	1.7
381.09790	0.5
387.14410	1.4
399.10696	0.4
417.17282	100.0
418.17615	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1174
Annotation	Isomolludistin
Peak:m/z	Relative Intensity
51.86531	0.5
55.01865	1.7
59.51280	0.6
61.25211	0.7
65.03912	1.4
67.05475	1.1
68.99771	2.2
69.03139	0.6
69.03426	6.0
69.07031	0.9
69.62413	1.3
69.62808	5.2
71.50665	0.7
79.05460	2.0
81.03410	1.2
83.04991	0.6
91.05441	1.2
93.03359	1.4
94.43784	0.6
95.04945	1.4
97.06508	1.5
98.21459	1.1
107.04920	2.9
107.08585	0.8
109.02849	0.9
113.05958	0.7
119.04910	0.8
131.04855	0.9
133.02863	0.8
135.04391	5.1
137.02316	10.8
141.01807	2.6
141.20366	0.7
145.06360	0.8
147.04384	3.4
153.01810	0.7
155.04852	0.6
161.02341	9.1
161.05956	0.7
163.03844	1.6
165.00420	1.5
165.01810	21.7
165.05472	1.3
165.74043	0.6
167.06999	1.9
175.03932	3.1
177.05499	1.5
179.03384	10.7
181.04976	1.4
182.32799	0.6
183.02878	10.4
189.01813	1.1
191.03351	2.1
193.04944	1.5
197.04498	1.0
201.05458	0.6
203.03369	2.7
204.68811	0.6
205.04890	0.7
207.02853	1.4
209.04456	1.6
210.41582	0.6
221.04340	1.2
229.05078	0.9
245.04269	3.0
247.05989	1.2
255.06616	1.4
258.05142	0.8
263.07040	0.9
269.04422	1.1
271.05734	0.9
281.07974	0.7
282.94397	0.7
283.05890	2.0
286.04733	1.7
287.05463	21.1
291.06473	0.9
295.05875	3.0
297.07513	4.3
299.05463	100.0
300.05804	5.3
303.05139	0.8
309.07501	8.4
311.05453	5.2
311.09128	1.5
313.03458	4.3
313.06992	47.8
314.07397	2.6
319.06073	4.6
321.07666	1.7
323.05438	7.0
324.06210	2.3
325.06992	25.7
326.07358	1.8
327.08600	14.2
328.08954	1.3
335.09219	1.3
337.07022	56.3
338.07404	4.8
339.08612	18.9
340.08948	1.3
343.08093	19.4
344.08350	1.4
353.10178	5.6
355.08063	36.2
356.08450	2.6
360.39081	0.6
363.08508	6.2
364.08948	0.8
381.09634	45.5
382.10016	3.9
399.10709	63.7
400.11148	5.1
405.83524	0.7
417.11737	13.7
418.12457	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1173
Annotation	Molludistin
Peak:m/z	Relative Intensity
60.80149	0.6
67.05496	0.8
68.99796	0.8
69.03416	1.8
69.07053	1.0
70.03114	3.8
74.43376	0.7
79.01824	3.1
79.05485	1.2
81.03413	1.4
84.08156	1.0
85.02884	1.8
85.85174	0.7
86.45766	0.7
91.05446	1.7
95.04924	1.0
97.02856	1.3
97.06495	1.3
105.07007	0.9
107.01281	0.9
107.04910	1.5
109.02866	1.2
109.92305	0.7
111.04375	1.1
113.06605	0.8
116.09306	0.7
119.04905	3.3
120.05698	1.4
121.02847	18.7
138.03104	0.8
145.02811	2.6
145.06473	1.7
153.01833	1.2
163.03870	2.5
165.01811	1.1
167.03394	0.8
167.07030	7.1
171.02879	1.5
173.05901	1.7
175.98489	0.7
177.01842	0.8
179.03445	1.1
181.04895	3.1
183.02893	1.0
187.03775	1.1
189.05399	1.2
189.65840	0.8
191.03401	2.2
195.02943	1.0
201.05429	0.9
201.43085	1.0
211.07492	1.5
213.05443	4.3
215.07042	0.8
217.04951	1.6
219.06415	5.4
221.04332	0.9
227.06950	3.0
228.07742	1.0
238.06059	0.9
239.07005	0.9
242.05627	1.3
243.06525	3.6
245.04427	2.8
255.06422	7.0
256.07211	13.2
259.05960	1.3
261.07507	2.4
263.05365	3.9
265.04810	0.8
267.06448	1.4
268.07288	1.5
271.06033	2.1
279.06461	1.6
283.05963	54.7
284.06735	49.9
285.07214	4.5
295.05963	10.0
297.04135	1.6
297.07535	29.5
298.07889	1.2
308.06851	2.5
309.07474	9.3
311.05453	2.7
311.08920	1.4
313.07013	94.3
314.07358	4.9
319.09567	4.3
321.07639	1.5
323.05475	1.1
325.06970	5.9
325.10684	1.9
327.08530	3.8
335.09064	5.8
337.07013	35.9
338.07275	1.8
341.06577	1.1
343.08102	10.6
353.10052	3.4
355.08029	3.8
363.08554	13.0
381.09628	77.1
382.09918	5.7
387.14325	1.1
399.10696	46.8
400.10989	2.8
417.11725	100.0
418.12067	6.3
433.90204	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1173
Annotation	Molludistin
Peak:m/z	Relative Intensity
53.03917	1.2
55.01863	1.2
55.05490	2.2
56.56133	1.0
65.03935	1.4
67.05479	4.4
69.03402	3.5
69.07047	2.2
70.55669	3.6
78.56091	1.2
79.01839	1.8
79.05462	4.7
81.03399	4.3
81.07030	3.7
83.04932	1.7
84.29904	1.0
85.02888	3.0
86.09703	2.6
91.05454	4.0
93.07030	2.0
95.04932	2.5
95.08597	2.2
97.06509	6.2
102.59610	1.0
105.06998	2.9
107.04942	1.8
107.08552	1.7
109.02891	1.6
109.06478	1.6
109.10159	1.3
115.05431	2.0
117.07012	2.1
119.04897	3.1
119.08582	1.9
121.02842	14.9
121.06425	1.4
121.10098	1.4
123.04344	1.6
125.26999	1.3
131.08514	1.8
133.10107	1.8
137.02325	1.8
145.02864	1.7
145.06470	3.2
146.05893	1.4
147.07999	1.3
151.04005	1.2
153.01813	2.2
161.13223	2.0
163.03951	2.3
167.07030	19.9
173.05962	4.2
175.07466	1.6
177.09050	1.2
179.03354	1.7
181.04910	8.2
188.07016	3.2
191.03343	1.8
191.07045	2.0
201.05354	1.5
213.05566	4.9
214.60623	1.2
215.06911	1.1
217.04860	1.2
219.06451	4.5
227.07130	1.2
228.07608	1.4
229.04889	1.9
233.07994	1.3
243.06407	1.1
245.04448	3.4
255.06476	5.0
256.07224	8.0
261.07532	1.3
262.11865	2.2
263.05545	3.7
271.06024	1.9
273.04056	1.4
273.18268	1.0
273.22104	3.1
279.06448	1.3
283.05954	42.2
284.06769	36.0
285.07306	3.9
295.05997	9.2
297.07498	20.3
298.04688	1.3
299.05405	3.3
301.03424	3.1
303.05023	2.6
308.06644	1.6
308.93500	1.1
309.07581	7.0
311.05502	1.8
311.09033	1.4
313.03488	6.7
313.06985	78.0
314.07263	3.8
316.05725	1.6
319.09534	4.1
323.05487	1.6
325.06995	6.2
325.10532	2.3
325.18036	1.8
327.08582	3.8
335.09119	6.1
337.07043	32.2
341.06613	1.3
343.08182	9.0
353.10349	2.9
355.08026	7.7
363.08566	9.0
381.09650	61.1
382.10086	2.8
387.14426	2.1
399.10739	44.0
400.10864	1.6
417.11688	100.0
418.12268	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08964	1.5
53.03944	5.4
55.01867	9.8
57.03424	6.6
61.02919	4.9
68.99789	2.9
69.03427	31.9
70.87437	4.8
71.05008	3.2
73.02916	7.3
79.05501	2.5
81.03412	27.0
81.07045	3.4
83.01336	1.5
85.02900	100.0
86.03214	1.7
87.00822	31.9
91.03944	2.4
91.05482	4.6
93.07050	2.5
97.02883	33.3
99.04446	15.8
103.03930	2.8
105.01858	40.8
105.02513	3.3
105.07044	2.8
108.04457	6.7
109.02869	34.3
109.06512	49.2
110.06863	2.3
115.03945	2.8
117.01883	3.9
121.06521	2.1
121.10170	2.0
126.05516	3.4
127.03909	69.8
129.01859	4.6
131.08490	2.1
133.06520	2.8
145.04953	33.7
147.02853	2.8
147.08229	1.9
151.07500	3.4
151.11171	23.5
159.02881	24.1
163.11230	8.3
175.07521	2.3
175.11084	2.5
175.58646	1.5
177.03978	2.5
189.03972	5.1
213.03970	2.7
214.89296	1.7
217.08745	1.8
217.12289	2.0
231.04996	15.3
248.07639	3.6
249.06151	2.1
259.13245	3.3
277.21661	5.9
361.74323	2.1
426.01837	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99922	1.9
53.03928	5.8
55.01857	3.2
55.05502	25.1
57.03422	3.2
57.07057	5.2
58.99569	8.5
62.79826	2.0
65.03924	3.6
67.05498	47.1
69.03395	5.1
69.07065	26.2
69.22090	2.0
71.04974	4.7
71.09449	3.8
76.02218	14.2
76.16988	2.2
79.05484	68.8
81.03403	4.3
81.07049	82.7
83.04964	7.1
83.08601	11.3
85.02886	3.7
85.06525	4.8
86.99026	3.8
91.05470	36.4
93.07035	98.2
95.04945	6.8
95.08596	63.6
97.06502	9.4
97.10149	9.6
99.08046	3.3
103.90765	2.0
105.00069	8.5
105.07021	29.0
107.07902	3.5
107.08590	56.2
109.06493	3.9
109.10159	21.2
111.08075	2.3
117.07004	4.3
119.08568	32.2
121.10130	46.0
122.02718	80.7
123.08033	4.2
123.11717	6.1
127.07557	2.7
129.06952	5.8
131.08549	6.7
133.10115	22.0
135.08096	3.4
135.11684	64.0
137.09656	3.6
137.13200	11.0
141.09085	3.5
143.08559	4.6
145.10077	6.7
147.11658	8.6
149.09610	4.5
149.13237	23.7
157.10104	2.7
159.11653	6.4
161.13245	44.1
163.14787	6.1
167.06970	3.0
171.11656	3.6
173.13199	5.1
175.14819	3.1
179.14284	32.4
185.13292	3.0
197.15335	5.6
207.13878	2.6
210.13463	2.1
213.16318	3.5
235.16914	3.7
241.19441	2.7
257.95682	2.2
259.00842	2.2
259.20477	4.0
277.21613	100.0
307.53476	2.1
324.20355	4.8
327.05038	3.2
342.21542	3.8
416.25107	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.0
53.03939	6.4
53.52601	0.8
55.01865	9.5
55.05498	1.6
56.65261	0.9
57.03434	5.2
58.48454	0.9
61.02915	5.8
68.99794	3.7
69.03046	1.6
69.03423	32.1
70.60104	3.5
71.01343	1.0
71.04989	4.6
73.02917	7.9
79.05499	2.1
81.03410	31.6
81.07063	2.2
83.01357	1.4
85.02898	100.0
86.03238	1.4
87.00822	36.4
91.03962	2.3
91.05479	2.9
97.02882	35.9
97.06541	1.7
99.04449	19.6
101.02387	1.1
102.74741	1.0
103.03942	1.4
105.01860	40.4
105.07022	7.3
107.04926	1.7
107.08587	1.3
108.04488	8.7
109.02866	30.0
109.06508	30.8
115.03967	1.2
117.01839	2.9
121.06545	1.0
126.05496	4.5
127.03904	73.2
128.04234	1.7
129.01852	3.2
130.50046	0.8
131.08560	1.0
133.10112	26.4
135.08113	1.2
145.04950	36.7
147.02872	3.0
151.11172	15.5
159.02878	25.4
163.11163	1.3
167.07060	3.0
171.02847	1.3
175.11119	1.1
177.03957	1.9
181.04897	1.1
189.03970	2.6
212.05605	1.3
213.03888	2.1
228.01010	1.0
230.06575	3.3
231.04979	17.1
248.07675	4.4
249.06102	1.9
283.15402	2.0
356.13297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1021
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
53.03932	0.8
55.01862	1.2
55.05506	0.6
57.03413	1.6
58.50846	0.4
61.02903	0.4
65.03944	0.5
67.05498	0.7
68.99802	1.1
69.03407	1.3
69.07037	0.6
70.02349	0.8
70.02767	1.5
72.08132	0.5
78.03082	0.4
79.05467	1.1
81.03395	1.3
85.02895	1.1
85.44354	0.4
86.09700	0.4
91.05411	1.8
93.03387	0.5
93.07003	0.7
95.04963	0.7
97.02856	0.6
97.06493	0.7
99.04449	0.7
105.03376	0.4
105.07020	1.0
107.04968	0.4
107.08525	0.5
109.02849	1.0
111.04367	0.5
112.65777	0.4
117.26780	0.4
119.04945	4.8
119.08589	0.6
121.02844	8.9
127.03874	1.4
131.04878	0.6
131.08641	0.4
133.02719	0.5
137.02327	1.0
137.05975	0.6
141.01817	3.2
145.02847	2.7
149.02351	1.0
151.03891	0.8
153.01755	0.8
161.02321	1.3
163.03873	3.3
165.01819	17.7
166.02219	0.4
167.03357	2.8
168.75926	0.4
177.01781	2.0
177.05409	0.5
179.03394	4.3
181.01350	0.4
181.04877	0.8
183.02878	11.4
187.03865	1.6
189.01797	1.7
191.03404	0.5
195.02866	1.7
197.00833	1.2
197.04366	0.7
205.01294	0.5
205.04904	1.1
207.02809	1.9
209.00905	0.5
215.03421	0.6
227.07077	0.4
229.04935	1.7
233.04453	0.9
233.09637	0.5
235.02362	0.7
239.07016	1.3
255.06477	1.4
256.07336	1.1
263.06741	0.4
267.06494	5.8
268.06961	0.5
269.04449	0.4
269.08041	0.6
270.05066	1.9
271.05994	11.9
272.06183	0.5
277.08627	0.5
279.06525	8.0
280.07104	0.8
281.04834	0.6
281.08051	9.8
282.08545	0.7
283.05978	100.0
284.06607	10.3
285.07422	0.7
294.05069	1.3
295.06012	19.1
295.09586	1.6
296.06534	0.7
297.03952	3.6
297.07468	19.6
298.07703	0.8
299.05469	5.3
300.05701	0.6
305.08255	2.2
305.11148	0.6
307.05972	16.4
308.06726	3.3
309.03952	2.4
309.07483	17.3
310.04663	0.6
310.07800	0.9
311.05453	7.9
311.09076	1.9
312.06006	1.1
313.07028	32.0
314.07352	1.3
323.05402	7.1
323.09116	21.0
324.05807	0.5
324.09344	1.3
325.07016	7.4
333.07501	4.1
333.11179	0.8
334.07748	0.6
335.05457	4.4
335.09100	0.9
336.06152	0.7
337.07010	6.9
339.04916	0.6
341.06528	1.0
341.10306	0.5
351.08594	21.8
351.11932	0.8
352.08936	1.0
353.06509	23.6
354.06873	0.8
361.06946	2.9
365.14108	0.7
369.09634	4.6
370.10010	0.4
371.07629	1.3
379.08090	40.9
380.08444	2.2
383.14618	0.8
397.09146	39.6
398.09695	2.1
415.09952	3.4
415.17706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92950	1.8
53.03929	4.9
53.14547	1.7
53.92140	1.7
55.01852	5.3
55.05488	6.8
57.03436	13.5
58.04953	1.7
61.02914	30.4
65.03909	2.0
67.05495	36.9
69.03423	23.3
69.07036	3.9
70.06597	2.9
71.04975	7.2
71.05547	5.0
72.08142	15.6
73.02908	14.8
79.05476	29.2
80.04850	1.5
81.03409	30.2
81.07055	18.9
83.04965	15.2
83.08620	2.4
85.02888	35.1
85.06508	4.5
86.09225	2.5
86.09696	25.0
87.40619	1.7
91.03947	15.0
91.05459	100.0
93.07037	11.4
95.04968	11.6
95.08583	3.7
97.02880	37.4
97.06523	5.9
98.84721	1.9
99.04420	8.0
101.02353	8.3
103.03905	6.0
105.07014	37.8
107.04946	14.4
107.08563	7.1
107.76134	2.0
109.02858	8.8
109.06548	4.4
109.10148	3.2
111.04401	3.3
115.05421	3.9
117.06998	16.7
119.08550	24.1
121.06454	2.1
121.10104	4.6
123.04390	1.9
123.08035	3.3
124.78648	1.8
127.03893	13.0
128.06201	5.0
129.07010	3.6
131.08504	10.0
133.06505	3.6
133.10118	50.2
134.25714	2.2
135.08015	4.7
135.11722	2.6
137.05925	2.7
143.08565	8.9
143.11707	2.4
145.04903	4.1
145.06479	3.2
145.10118	3.0
146.11732	4.6
147.07959	2.1
149.09590	21.2
151.07512	2.1
151.11105	8.0
157.06467	2.2
157.10101	3.8
161.08371	2.8
161.09616	31.7
163.11063	1.9
169.10127	2.4
171.11317	1.9
171.14900	2.7
175.11172	2.6
179.10643	25.5
183.06497	4.1
185.09534	2.6
187.11369	2.3
194.45753	1.8
195.11627	2.6
197.11639	2.9
199.14534	2.1
199.17973	2.8
217.15396	4.0
241.08728	2.1
241.12215	3.6
253.14316	41.1
259.13370	2.3
281.08246	2.7
295.15207	2.9
315.15762	3.0
353.06641	2.8
361.16251	2.0
365.13495	2.4
371.07330	2.8
379.07971	2.5
383.14713	3.1
397.08926	3.0
405.04483	1.9
415.10190	4.0
415.19049	6.5
415.24283	2.5
429.48795	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79706	5.2
52.97954	5.3
56.96556	37.6
59.39104	4.5
68.30927	5.0
70.06586	15.5
70.29494	13.4
74.90077	4.6
80.56775	4.7
84.96037	13.4
89.65749	4.9
91.05810	12.4
98.97578	100.0
110.97563	17.1
116.98613	86.4
128.98595	42.8
134.99652	39.0
136.06241	4.7
137.05920	5.5
143.00250	9.5
146.99666	44.7
149.01245	7.8
152.05705	15.3
158.99643	18.5
161.01230	20.8
161.02896	6.7
162.99033	6.0
170.99649	7.7
172.95253	6.9
177.00729	31.2
189.00739	12.3
193.01831	6.8
195.01689	5.6
201.00711	7.5
207.89450	5.5
211.02780	16.3
217.64417	4.9
219.01794	47.9
229.00153	7.3
235.02826	11.8
237.02788	87.6
237.06482	6.0
243.32150	4.5
247.01236	7.7
253.03926	16.5
255.03831	6.8
260.04370	5.6
295.04727	7.1
344.97760	10.6
355.03174	8.0
355.07135	28.3
373.04248	16.5
373.08109	74.4
395.68555	5.3
396.09845	9.5
402.41620	5.3
415.04437	7.7
415.09848	86.6
431.50247	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.5
56.06735	1.6
57.03431	29.2
61.02927	15.5
69.03421	34.3
70.06578	8.1
71.01334	2.4
71.04985	1.5
71.07940	3.6
71.08316	2.9
71.20477	1.9
73.02516	3.7
73.02911	58.7
73.96162	2.2
81.03392	7.7
84.08130	2.3
85.02897	100.0
86.09701	2.0
87.04441	4.0
91.03938	5.0
97.02881	53.1
99.04493	4.4
103.03940	3.4
105.07017	1.9
109.02858	6.8
115.03914	29.0
117.41862	1.9
118.06846	1.8
127.03899	28.7
133.04984	10.0
145.04953	56.8
160.28210	1.8
163.06004	20.6
170.89201	2.4
216.61563	2.1
241.07101	4.2
259.08212	2.0
265.16510	2.2
300.05820	5.1
317.68738	2.2
396.07947	4.2
396.22064	3.5
404.97440	14.7
405.97543	1.9
409.00854	3.3
414.09232	1.9
414.23135	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84903	2.5
51.90635	2.7
53.03949	3.2
57.03439	4.8
61.02905	2.6
68.39112	2.9
69.03428	15.5
70.06590	18.0
71.04980	3.2
71.73830	3.9
72.08154	5.7
72.76389	2.8
73.02921	4.1
77.24206	2.4
77.35802	2.5
81.03405	14.8
84.04470	4.0
84.08153	8.5
85.02900	77.2
86.09714	12.5
91.05807	3.7
97.02879	22.0
99.04438	37.1
103.03931	92.2
109.02853	13.3
116.53477	3.4
127.03900	100.0
129.10295	4.5
136.07582	2.7
145.04935	65.6
163.06009	74.8
184.07321	8.3
187.06010	4.4
193.73972	2.8
205.07077	4.2
214.97279	3.1
230.08926	2.8
271.08102	8.8
289.09219	8.2
307.10324	13.2
414.14328	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16952	0.9
55.01867	8.2
55.05513	1.2
55.77734	1.1
57.03428	17.9
57.30275	0.9
59.04989	0.9
60.93201	0.9
61.02914	16.4
67.05499	0.9
69.03423	33.0
69.57449	8.7
70.06635	0.8
70.90981	0.8
71.01347	4.2
71.04969	2.0
73.02908	74.5
73.29433	0.9
81.03397	6.7
81.07037	1.5
83.74812	0.9
85.02894	100.0
86.03246	1.2
87.04458	3.4
91.03932	3.5
91.05420	1.0
92.38334	0.8
94.53810	0.8
97.02880	53.9
98.03222	1.2
99.04446	4.4
103.03894	2.4
109.02853	8.5
111.04459	1.2
115.03913	20.5
127.03903	29.1
132.06615	0.9
133.03929	1.6
133.04947	28.7
145.04945	51.0
150.07593	2.0
157.04921	0.9
163.05998	19.3
167.10696	3.9
182.72119	1.0
193.04965	1.1
199.05981	1.7
199.13240	1.1
217.07039	1.1
223.05971	3.4
241.07092	4.0
259.05850	1.0
259.08252	5.8
265.16513	2.2
277.09195	1.2
313.06900	0.9
367.07870	1.1
397.08795	1.4
404.97522	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.9
55.05512	10.0
57.03427	3.9
66.85168	1.3
67.05495	16.3
69.03413	2.2
69.07075	9.4
71.04980	3.0
71.74619	2.1
79.05487	26.3
81.03425	2.8
81.07060	15.7
83.04958	3.4
83.08618	3.4
85.06526	1.6
91.05473	10.6
93.07037	9.0
95.04967	7.3
95.08601	6.1
97.06533	6.4
105.07025	10.2
107.04926	3.3
107.08592	4.5
109.10163	3.8
110.07138	1.4
115.05445	3.4
117.07000	4.5
119.04925	4.4
119.08575	5.7
121.06509	9.4
121.10128	2.9
123.08064	2.7
125.09564	2.5
126.84571	1.6
128.06181	2.8
129.06978	12.1
131.04915	16.1
131.08559	7.0
133.06483	7.0
137.09624	2.0
141.06978	6.6
143.08554	8.7
144.05707	6.1
145.06474	50.0
145.10112	2.5
146.06821	1.9
147.08031	2.6
151.03821	1.7
153.01805	2.3
154.07761	2.1
155.08537	7.9
157.06490	12.9
157.10170	6.6
159.04420	2.2
159.08022	6.5
159.11717	2.8
161.05974	4.1
166.07933	2.1
167.08546	6.1
169.06480	6.9
169.10086	13.0
170.07184	2.7
171.08028	10.7
171.11699	4.0
173.05960	1.6
179.08554	2.8
181.06485	4.9
181.10164	5.8
182.07222	2.5
183.08047	13.2
183.11707	4.0
184.08723	3.3
185.09645	10.4
187.11354	2.3
193.10168	2.9
195.08090	6.2
195.11674	3.0
197.09654	10.5
197.13277	2.9
199.07526	1.9
199.11153	21.3
207.11775	1.8
209.09569	11.2
211.11127	9.2
213.09077	1.8
213.12776	3.3
223.11174	4.9
225.12769	5.1
227.10664	67.7
227.14063	9.4
228.11002	1.9
235.11134	2.4
237.12697	7.9
243.13770	3.2
245.11765	7.6
253.12308	5.4
255.13811	8.8
265.12143	4.2
269.72809	1.5
273.14871	18.0
275.17767	1.8
293.19058	5.9
303.17462	5.5
311.05695	2.1
311.16656	3.4
311.19986	17.1
321.18503	27.2
322.18994	2.1
339.19531	76.3
340.19891	4.4
349.21796	1.9
357.20587	27.1
363.44644	1.5
377.21140	5.9
395.22052	2.1
413.23190	100.0
414.23456	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34571	19.4
69.03418	49.9
70.06572	68.0
70.24921	52.8
70.25320	45.7
71.95226	19.0
72.08124	36.1
73.02895	51.7
84.08113	67.9
85.02889	69.1
85.07653	55.8
86.09690	23.8
91.05440	36.7
97.02868	33.4
118.08612	24.0
127.03934	43.0
129.10190	32.8
136.06184	100.0
147.04425	20.3
151.60733	20.9
182.08165	21.7
203.12016	23.8
206.10252	24.7
220.04158	20.3
269.87558	19.9
297.11176	75.8
308.57788	22.5
331.74445	29.6
359.14877	37.9
412.21088	25.4
413.14145	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1412
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.05023	0.8
56.27020	0.4
56.58564	0.4
63.32626	0.4
66.34825	0.4
69.03399	0.4
70.06587	1.8
70.16430	2.0
72.08147	0.8
74.06076	2.4
84.04498	0.6
84.08117	0.6
84.34318	0.4
85.02914	1.0
86.09703	1.0
98.20770	0.6
101.73425	0.4
102.05546	1.1
104.91506	0.4
119.03522	2.6
120.06573	7.4
129.10220	0.5
136.06165	100.0
137.04567	1.7
137.06500	1.3
162.04086	59.6
163.04454	0.5
168.91890	0.4
182.47086	0.4
192.37692	0.4
200.31079	0.4
204.00842	0.4
210.64407	0.4
222.73032	0.5
229.17746	0.4
250.71434	0.4
268.10242	1.3
281.09888	43.7
282.10150	1.4
294.08441	0.6
413.14114	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01865	4.7
56.05022	4.4
57.03432	22.6
61.02923	13.0
67.05501	4.0
69.03414	29.3
69.07053	2.7
70.06583	10.3
71.01339	2.8
71.04988	5.8
71.74236	3.6
72.08138	5.4
73.02911	53.4
78.92013	2.3
81.03416	14.0
83.08605	5.4
84.04493	5.4
84.08128	7.7
85.02895	100.0
86.09692	9.9
87.04462	4.3
91.03922	3.5
91.05417	3.1
93.06985	2.6
95.04935	4.3
97.02879	49.0
98.96199	2.5
99.04432	5.8
109.02857	9.7
115.03924	35.1
116.07048	3.2
118.06543	2.7
119.06853	2.4
120.08076	5.9
127.03914	31.1
129.10217	5.1
131.00058	2.1
133.04974	13.4
145.02719	2.8
145.04944	63.7
145.07483	3.6
146.07913	2.5
163.05984	26.3
174.07480	3.9
177.05479	3.5
183.51027	2.5
184.07378	3.5
191.08118	27.5
192.08475	38.6
241.07001	4.2
259.07852	2.6
263.14908	8.3
266.28088	2.4
286.23834	2.7
295.10211	4.0
308.13214	24.1
326.14182	6.3
400.04626	2.9
413.17572	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01863	2.3
55.05496	3.7
56.02199	1.0
57.03429	34.3
61.02917	15.0
67.05493	1.8
69.03041	1.7
69.03419	33.4
69.65997	9.4
70.06570	1.4
71.01345	3.6
71.04993	7.5
73.02905	72.5
74.52040	1.0
79.05475	2.7
81.03410	6.7
81.07027	1.4
83.08612	7.3
84.08138	2.2
85.02894	100.0
86.09695	2.7
87.04444	4.2
91.03944	5.4
95.08584	2.6
96.04455	1.5
97.02880	61.7
99.04456	5.4
101.09633	1.4
103.03889	1.9
104.10713	3.0
105.06975	1.4
107.08568	1.8
109.02877	9.1
111.08096	2.7
115.03920	41.7
119.08569	1.4
121.06535	1.1
127.03901	30.7
129.09085	2.9
132.06544	1.8
133.04944	11.9
135.07953	1.3
139.07512	3.7
141.09108	1.6
145.04947	53.9
150.07603	4.8
151.07529	2.9
153.09056	1.1
155.10695	1.6
163.05984	20.9
168.91910	1.2
179.10593	1.4
180.08534	1.5
183.10075	1.0
184.07271	3.0
190.15936	1.6
193.04938	1.9
200.08542	1.1
209.11717	3.3
223.05983	5.0
227.12756	2.9
232.16869	1.7
241.07120	5.8
245.13725	4.1
259.08121	4.6
263.14850	4.5
295.10156	2.7
412.23129	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76089	0.6
53.03922	1.4
55.01864	8.0
55.05504	3.3
56.98367	0.6
57.03431	18.9
59.04993	2.0
61.02922	17.3
62.71383	0.6
65.75459	0.6
67.05501	1.0
69.03423	36.1
69.91299	1.9
69.91732	2.4
70.06593	0.7
71.01353	4.9
71.04987	7.3
72.08157	1.1
73.02908	86.3
79.05488	0.7
81.03420	6.7
81.07050	1.3
83.05003	1.2
83.08614	5.5
85.02897	100.0
86.03233	0.6
86.09708	1.4
87.04469	5.5
91.03951	5.1
91.05494	0.8
93.07053	0.9
95.04960	0.7
95.08601	1.4
96.04494	0.8
96.61732	0.5
97.02880	57.2
97.06477	0.6
98.21461	0.6
99.04440	5.0
99.08062	0.6
101.02414	0.6
101.58107	0.6
103.03938	3.2
104.10767	0.9
105.07047	1.1
107.08587	0.9
109.02864	7.9
111.04437	1.1
111.08064	2.4
113.09667	1.3
115.03916	29.8
121.06528	0.6
123.08100	1.0
125.09617	0.8
127.03899	28.5
129.09093	1.2
129.10220	0.6
133.04950	34.9
137.09610	0.7
139.07520	4.1
141.09099	1.4
145.04945	48.8
150.07613	3.7
151.07544	1.4
153.08998	0.8
163.06006	16.2
167.10626	1.0
169.04951	0.8
179.10687	2.0
181.04982	1.2
184.07349	2.3
185.11754	0.9
191.10641	0.8
193.05017	1.5
197.11784	2.1
199.06007	1.9
203.25974	0.6
209.11600	1.4
211.05952	0.7
215.12761	1.1
217.07060	1.9
223.05995	4.8
227.12799	2.0
233.13881	0.7
239.74921	0.6
241.07043	6.3
245.13841	2.1
259.08102	6.6
263.14777	4.0
277.09149	2.1
278.58472	0.7
295.10284	3.0
412.20419	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.4
55.01851	10.0
55.05503	20.6
55.81281	3.4
57.03418	16.0
60.08144	5.3
61.02904	13.6
64.81229	3.3
67.05494	6.9
69.03424	35.0
69.07053	6.3
69.74351	25.7
70.06569	12.3
71.04957	4.8
72.08131	14.0
73.02905	73.9
74.06149	3.0
79.05492	3.4
81.03389	11.4
81.07044	8.2
83.08604	38.9
83.16847	2.8
84.08126	11.3
85.02892	100.0
86.09682	21.8
87.00816	5.8
87.04443	3.8
91.05460	5.5
93.07050	3.8
95.04954	3.6
97.02872	50.9
99.04459	9.3
104.10732	27.6
105.07017	3.0
107.04934	5.1
107.08539	5.5
109.02853	9.9
115.03913	32.5
120.08103	3.3
121.06407	3.3
124.99963	5.6
127.03887	36.1
133.04955	27.7
135.08130	4.0
145.04951	48.9
157.04848	3.2
163.05980	16.8
171.22032	2.8
184.07297	24.0
193.70425	3.0
215.12891	3.1
223.06049	5.1
227.12729	4.2
241.07040	6.0
259.08090	6.8
301.15131	3.3
303.05078	3.5
348.22830	5.3
377.01453	4.7
394.23373	4.4
412.25040	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53822	1.4
53.03926	2.4
55.05505	13.0
57.03405	1.7
57.07067	2.4
59.04956	1.4
65.03906	1.5
67.05499	26.0
69.06730	2.6
69.07063	30.1
71.04978	1.9
71.08620	1.7
71.14099	1.5
71.14434	2.9
79.05486	21.0
81.03390	2.2
81.07053	63.3
81.07536	3.2
83.08606	11.3
85.02882	2.2
87.07882	1.6
91.05472	17.9
93.07037	49.3
95.04957	5.1
95.08598	92.5
96.08973	2.7
97.06527	3.0
97.10149	6.1
99.08090	1.7
105.07023	33.0
106.07328	1.5
107.08581	84.4
108.08903	1.6
109.06493	2.4
109.09397	2.6
109.10151	52.1
111.08080	4.0
111.11723	1.5
117.07004	2.3
119.08575	39.4
121.10130	55.3
122.10450	2.5
123.08065	3.1
123.11694	22.2
125.09615	3.1
129.23564	1.3
131.08554	6.4
133.10121	29.8
135.04427	1.6
135.11682	28.9
137.09636	2.2
137.13235	6.4
143.08556	2.6
144.09291	1.6
145.10118	7.9
147.11665	23.3
149.13242	48.2
150.13622	1.8
151.11154	3.0
151.14925	1.8
157.10165	3.3
159.11703	8.6
161.13243	21.2
162.92494	1.4
163.14809	70.0
164.15161	3.2
165.12782	3.3
165.16429	1.4
171.11684	3.4
172.08821	2.8
173.13216	7.0
175.14790	21.9
177.12755	3.0
177.16364	36.4
179.14279	8.8
185.13237	2.5
187.14799	16.3
189.16377	36.8
191.17937	18.6
197.89151	1.4
199.11275	2.0
201.16357	7.7
203.17931	39.3
204.18266	2.3
205.19521	7.9
207.17451	5.3
213.12634	1.7
214.13419	3.0
215.17867	7.2
217.19493	7.5
219.17447	2.7
222.12320	1.4
227.17931	1.8
229.19557	4.3
231.21074	20.4
232.21434	1.4
233.19017	4.8
243.21068	2.3
247.20416	1.5
247.24278	2.9
269.22656	1.8
313.06882	1.9
393.35202	11.2
411.14429	4.7
411.24075	3.2
411.36182	100.0
412.36404	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70377	1.0
53.03933	2.8
55.05501	12.2
56.79615	1.1
57.03408	1.5
57.07056	4.1
59.04990	1.4
65.03929	2.0
67.05497	30.6
69.06686	1.3
69.07059	26.1
71.04986	2.3
71.08606	1.3
71.74213	1.5
73.63696	1.2
75.87972	1.2
79.05022	1.4
79.05485	24.7
81.03388	1.9
81.07047	65.5
83.08607	10.6
85.02899	2.4
91.05464	20.2
93.06428	1.4
93.07032	55.3
95.04957	7.0
95.08593	100.0
96.08891	1.7
97.06525	2.4
97.10155	5.1
99.08044	2.0
105.07021	32.6
107.08580	82.3
108.08895	1.5
109.06499	1.8
109.10147	45.8
111.08062	2.8
111.11682	1.6
117.06985	3.9
119.08567	37.4
121.10127	61.4
122.10453	2.1
123.08058	2.8
123.11689	17.6
125.09692	1.6
131.08546	6.1
133.06451	1.7
133.10115	29.0
134.10396	1.5
135.07991	2.1
135.11676	34.1
137.09625	2.9
137.13228	4.8
143.08533	1.8
145.10085	9.1
147.11670	25.7
149.13239	49.1
150.13571	2.4
151.11096	1.8
157.10133	2.0
158.97408	2.1
159.11673	10.2
161.13249	18.9
163.14799	78.2
164.15167	2.1
165.12720	3.8
171.11726	2.6
173.11914	2.0
173.13158	6.3
175.14795	26.9
177.05505	1.4
177.12686	1.4
177.16351	35.7
178.16699	1.6
179.14287	7.9
185.13322	2.9
187.14780	13.0
189.16354	36.6
189.18022	2.2
191.07036	1.3
191.17909	20.3
192.07777	1.5
193.12173	2.3
201.16370	7.4
203.17926	39.5
204.18372	1.6
205.15869	2.3
205.19524	5.8
207.17406	4.1
210.96947	1.9
213.16365	1.8
215.17899	9.6
217.19490	9.7
219.17448	2.7
221.18924	2.3
229.19527	3.4
231.21039	20.0
233.19009	5.1
233.22554	3.5
234.98900	6.2
247.20551	1.9
247.24329	2.0
258.00647	1.3
261.22086	2.0
273.22150	1.4
277.00101	11.2
280.27078	1.4
315.26834	2.1
393.35056	13.1
411.24805	4.4
411.36169	96.0
412.36398	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	25.2
57.03404	4.8
67.05492	37.4
69.07053	24.9
70.01421	4.2
70.83759	8.8
71.04978	4.9
79.05466	34.6
81.03430	4.8
81.07047	80.8
83.04984	5.6
83.08593	17.1
91.05470	27.4
93.07030	36.3
95.04929	7.1
95.08595	94.6
97.06500	15.7
97.10151	11.0
99.08080	13.0
105.07016	59.8
106.07358	6.6
107.08578	19.5
109.06495	8.4
109.10162	9.6
119.08567	46.1
121.10119	18.6
122.09609	7.2
123.08036	9.5
133.10133	32.8
135.11644	20.1
137.09554	8.0
137.13249	16.3
161.13245	100.0
165.12730	7.7
179.14299	69.1
187.67224	4.1
197.15338	7.2
248.55896	4.4
357.27936	8.6
411.29675	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01867	2.5
55.05506	9.8
57.03439	5.3
59.05005	1.9
65.03937	1.8
67.05135	1.7
67.05496	35.9
69.03413	1.9
69.07054	3.8
70.06574	0.8
71.04982	2.5
71.74490	0.5
71.74944	1.1
79.05486	22.0
81.03413	23.1
81.07047	100.0
82.07380	2.0
83.04983	3.2
83.08614	7.9
85.02894	12.6
85.06527	1.7
86.09689	0.9
91.05468	23.6
93.07041	11.2
95.04967	10.1
95.08591	9.0
97.02870	1.1
97.06519	3.8
97.10139	1.3
99.08088	5.0
100.11234	1.5
105.01927	0.8
105.07022	8.5
107.04951	2.4
107.08579	3.0
109.06515	3.4
109.10146	23.8
110.10456	0.9
111.04441	1.7
111.08073	4.6
117.06975	1.7
119.08575	25.5
121.06476	2.0
121.10132	3.2
123.08036	0.8
125.06023	0.8
127.03914	0.8
127.07585	3.5
129.06985	2.8
131.08559	3.4
131.85097	0.7
133.10138	2.7
135.04343	0.8
137.09598	12.0
142.12265	0.6
145.08586	7.2
145.09660	0.9
145.10060	0.8
147.08054	1.6
147.11676	4.1
149.02368	1.6
149.09596	1.8
149.13223	0.9
155.10686	1.7
157.10095	4.5
161.13266	0.9
163.03897	1.6
165.09113	7.3
173.11723	5.6
173.13004	0.9
175.11143	4.1
181.64832	0.7
183.10176	3.7
193.04974	1.2
193.12230	18.0
194.05290	1.3
206.95708	0.7
210.14896	1.0
211.13283	17.7
211.15076	0.9
229.14374	3.3
239.12701	1.8
285.16934	1.1
301.18158	1.4
322.24283	0.7
393.22675	2.6
411.18616	1.4
411.23724	36.5
412.24011	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93785	0.4
54.63202	0.3
55.05479	0.6
55.31330	0.4
59.06287	0.3
61.81388	0.4
63.68190	0.3
67.05477	0.4
69.03407	0.9
69.07048	0.3
69.67614	1.6
69.68027	1.2
70.06582	1.8
72.08128	1.0
77.03913	0.3
78.50230	0.4
79.05467	0.6
81.03389	1.4
81.07030	0.9
83.04963	0.4
84.04482	0.4
84.08121	0.9
85.02872	1.2
86.09673	1.2
91.05440	0.8
95.04948	1.1
95.08611	0.5
97.02859	0.6
105.07024	0.9
107.04886	0.4
107.08479	0.4
110.07233	0.4
110.42281	0.3
115.37097	0.4
116.98587	0.4
117.06985	0.5
119.01894	0.6
119.08568	0.6
120.08064	0.9
121.10085	0.5
123.04388	0.5
131.04883	0.5
136.07550	0.4
143.01877	0.4
151.07547	0.4
161.02930	1.2
163.11212	0.6
197.12744	0.8
199.08124	0.5
203.05191	0.9
206.57803	0.4
207.06615	0.4
207.08656	0.7
214.06853	0.5
221.10204	0.5
223.08476	0.4
223.11676	0.7
231.08687	0.6
231.13689	0.5
237.09631	0.6
249.09453	2.9
249.14969	0.5
255.10808	0.5
267.00699	0.4
267.10739	9.4
273.14972	0.6
283.13245	0.5
285.12003	1.0
290.12329	0.4
291.10522	1.9
301.14377	0.6
309.11923	2.7
411.16098	100.0
412.16443	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.0
55.01868	2.9
55.05504	0.3
55.66185	0.3
57.03437	1.4
59.04977	0.4
61.02906	0.6
67.05473	0.3
69.03421	9.8
69.07030	0.3
70.06591	1.8
71.01357	0.5
71.04612	0.4
71.04985	6.1
71.43336	0.4
71.43691	0.6
72.16811	0.3
73.02896	0.7
74.41389	0.3
76.48760	0.3
79.05485	0.3
81.03407	7.8
81.07018	0.8
83.08590	0.3
84.04479	0.5
84.08108	0.4
85.02872	0.6
86.09701	0.7
87.00800	0.4
87.04449	0.3
91.05469	1.2
95.04918	0.6
97.02879	0.4
99.04449	3.9
99.46157	0.3
109.02894	0.3
112.08762	0.4
113.08169	0.3
116.04964	0.5
117.05498	1.7
118.06523	5.4
120.08051	1.6
127.03890	0.4
129.10254	0.4
135.08029	0.3
136.07533	0.8
145.07594	7.0
147.04318	0.3
147.09151	4.5
148.06236	0.3
163.08669	0.8
173.07098	12.6
175.08661	3.3
191.08131	100.0
192.08504	2.6
203.05493	0.8
249.07295	1.0
271.10721	0.4
281.14755	0.4
289.11768	3.4
307.12839	38.0
308.13214	1.6
322.13947	0.9
325.13898	6.1
343.08209	0.3
367.16428	0.4
376.93866	0.3
393.12872	3.3
411.12909	5.9
411.20184	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01868	2.8
57.03432	2.1
57.20708	0.3
59.04987	0.6
61.02913	0.6
66.68401	0.3
68.99774	0.6
69.03423	9.7
71.01336	0.4
71.04988	5.4
71.13994	0.5
71.14350	0.7
73.02912	0.8
81.03409	29.0
82.03722	0.4
85.02892	0.4
86.09658	0.4
87.00816	1.6
87.04442	0.5
91.05456	0.6
99.04445	8.5
116.04923	0.6
117.05469	3.1
118.05738	0.4
118.06532	4.7
145.07597	8.1
147.09149	11.7
159.09148	0.6
159.33310	0.3
161.07092	0.4
162.07878	1.7
162.13211	0.3
163.03871	0.7
163.08667	1.6
173.07094	12.2
174.07414	0.3
175.08652	10.7
176.09142	0.4
185.04510	0.8
187.08713	0.9
189.06741	0.4
190.07332	0.6
191.08133	100.0
192.08447	2.4
199.08672	0.7
201.10144	0.5
203.05376	0.3
203.08163	0.3
205.09753	0.8
213.10210	0.8
215.11691	0.5
225.10155	0.5
231.11307	0.5
233.09245	1.1
243.11253	0.9
271.10751	2.6
289.11789	5.7
307.12842	17.6
308.13141	0.7
325.13931	10.6
326.14108	0.6
331.12848	3.5
349.13892	2.9
357.10898	0.6
375.11835	15.1
376.12277	0.6
393.12881	27.8
394.13232	1.4
411.13290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01865	2.2
55.05503	19.6
56.34791	2.1
57.03437	3.2
57.07059	10.7
57.36659	2.1
59.04974	4.4
63.15210	2.2
65.03923	4.2
65.70744	2.5
65.90520	1.9
65.93600	1.9
67.05496	19.6
69.03408	7.2
69.07037	7.8
70.70396	8.3
71.04975	2.8
77.03931	2.0
79.05479	22.7
81.07048	36.2
83.04952	5.7
83.08592	4.2
85.02890	2.1
85.06539	5.0
91.05468	38.9
93.07027	46.6
95.04382	4.2
95.04950	46.5
95.08590	36.0
97.06522	12.9
103.05451	3.6
105.07010	100.0
107.08578	27.9
109.06516	14.8
109.10133	10.4
111.08057	3.4
117.07020	15.2
118.87187	2.2
119.08564	61.9
121.06487	23.1
121.10123	17.8
123.08027	26.3
128.06207	4.4
129.06990	9.4
130.07773	5.3
131.08537	26.7
133.06438	5.9
133.10103	26.7
135.08022	16.1
135.11652	4.6
137.09593	11.7
141.06973	4.4
142.07784	14.5
143.08534	21.7
145.10095	44.9
147.08018	17.4
147.11656	38.9
149.09584	9.7
151.07506	24.8
153.06917	2.5
155.08508	9.3
156.09322	6.1
157.10095	22.8
159.08057	7.4
159.11679	15.4
160.08765	2.2
161.09665	10.1
161.13216	5.2
163.11169	7.6
165.06984	3.5
165.09096	38.2
167.08527	3.2
168.09334	3.4
169.10121	14.7
171.11642	12.5
173.09607	7.2
173.13232	7.1
174.10435	2.2
174.77437	2.3
175.11148	25.5
175.14745	2.4
177.09113	5.0
177.12614	2.0
178.09860	2.2
179.08644	2.3
179.10660	2.3
181.10144	9.6
181.12151	4.5
183.11662	15.1
185.13223	8.0
187.11221	4.4
189.12698	8.0
195.11729	4.2
196.12393	3.3
197.13242	4.8
199.11154	5.1
199.14729	2.7
201.12727	11.7
201.16174	2.6
203.14258	16.3
207.11870	4.0
207.13799	10.6
209.13249	5.9
209.15384	4.0
211.14806	8.9
215.14249	2.9
219.13730	3.7
221.15326	81.5
222.15761	2.3
223.14745	3.1
225.16219	3.9
227.14250	3.2
229.15845	6.0
231.13757	3.1
233.15367	4.4
234.16208	10.7
235.14688	3.3
237.12708	2.1
251.14308	2.2
259.53445	1.9
263.16257	2.5
281.18970	2.3
287.19995	11.0
300.20749	5.8
311.19836	2.9
317.21194	3.1
329.21027	4.1
391.26416	7.4
409.27328	66.2
410.27557	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.5
51.35197	1.4
53.03934	4.4
55.01869	2.5
55.05507	19.4
57.07077	7.4
58.05286	1.3
59.04993	3.0
65.03917	4.2
67.05502	21.8
69.03424	8.2
69.07051	6.4
69.51634	4.1
69.52045	10.8
79.05482	22.1
81.03405	2.8
81.07049	33.0
83.04957	4.4
83.08596	2.2
85.06525	2.5
91.05476	37.6
93.06497	2.6
93.07044	41.2
95.04965	53.0
95.08605	24.8
97.06540	6.2
103.05463	3.2
105.07025	100.0
106.07339	1.9
107.04952	2.3
107.08588	25.4
108.53400	1.4
109.06516	12.7
109.10146	9.3
111.08065	2.1
115.05450	3.5
116.06224	2.6
117.07020	15.3
119.04899	2.6
119.08574	71.0
121.06492	19.8
121.10143	14.2
121.72770	1.5
123.08065	16.9
128.06224	4.1
129.07018	8.5
130.07779	3.5
131.08563	23.8
133.06487	6.6
133.10120	16.6
135.08060	15.2
135.11655	3.8
137.09604	9.9
141.07027	2.6
142.07779	11.2
143.08551	15.7
144.09314	2.6
145.06392	3.5
145.10110	34.2
147.08049	19.6
147.11676	43.1
149.09604	11.1
151.07536	20.7
153.09131	2.6
154.07744	2.5
155.08499	7.8
156.09335	4.6
157.10139	21.3
158.10912	2.2
159.08076	4.8
159.11679	13.0
160.08803	2.7
161.09602	7.7
161.13246	5.3
163.11180	4.2
165.09108	34.5
167.08597	2.7
168.09354	3.8
169.10127	10.1
170.10922	2.2
171.11638	9.0
173.09639	6.1
173.13286	8.2
174.10422	2.8
175.11156	30.8
175.14793	2.1
177.09154	3.0
178.09824	2.1
181.10147	3.7
182.10846	2.8
183.11678	13.2
185.09569	3.4
185.13240	5.2
187.11198	4.3
187.14778	3.6
189.12669	8.9
191.10785	1.6
191.14301	4.2
195.11676	4.1
197.13235	5.4
199.11176	4.1
201.12704	8.6
201.16475	2.2
203.14325	14.8
207.11876	3.0
207.13797	7.6
209.13243	4.1
209.15352	4.0
211.11311	2.0
211.14822	6.4
213.12709	2.3
215.14273	4.0
219.13823	5.3
221.13481	2.5
221.15353	69.6
223.14769	2.2
225.16374	2.3
229.15892	4.9
231.13788	4.3
233.15392	4.4
234.16124	17.3
239.14229	2.1
251.17747	1.5
255.13812	1.6
269.19159	1.6
286.19232	4.4
287.20071	9.4
288.45407	1.6
300.20874	4.9
307.20215	1.6
329.21170	6.8
391.26169	5.2
409.27319	47.8
410.27457	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.4
55.05509	17.8
57.03456	2.5
57.07063	9.4
59.04979	6.0
59.71097	2.3
67.05498	18.6
69.03415	10.0
69.07053	8.9
71.20387	5.7
79.05499	20.8
81.03393	2.9
81.07050	35.1
82.46387	2.1
83.04963	5.0
85.06537	4.1
91.05470	44.7
92.06237	2.2
93.07032	54.4
95.04395	4.4
95.04958	57.4
95.08603	35.0
97.06530	12.8
103.05419	5.5
105.07018	100.0
106.07321	4.0
107.04941	2.9
107.08585	31.2
109.06525	13.0
109.10146	12.0
116.06258	2.4
117.07023	14.9
119.08575	73.6
121.06505	22.0
121.10143	14.2
123.08060	20.8
128.06226	7.1
129.07024	7.4
130.07759	4.6
131.08524	28.3
133.06461	6.6
133.10115	24.3
135.08038	15.4
135.11687	5.4
137.09592	10.9
141.06961	4.7
142.07755	10.7
143.08514	18.3
144.09306	4.0
145.10095	40.7
147.08029	20.5
147.11664	41.4
149.09610	11.4
151.07530	27.0
153.07018	5.4
155.08514	8.2
156.09291	8.0
157.10100	25.1
159.08061	7.6
159.11665	16.0
161.09627	9.4
161.13237	7.1
163.11147	8.1
165.09108	44.1
167.08507	3.8
168.09409	5.2
169.10129	16.0
170.10796	2.2
171.11668	11.7
173.09575	9.4
173.13248	9.1
175.11162	28.7
177.09093	3.6
178.09949	3.3
181.10048	5.5
183.11650	13.3
185.13223	4.7
187.11180	5.5
187.14792	4.4
189.12726	7.9
195.11545	5.7
197.13220	3.6
199.11151	2.6
201.12721	9.4
203.14330	17.8
207.11806	4.6
207.13794	12.9
209.13286	4.8
211.14864	5.6
219.13756	5.4
221.13242	5.7
221.15340	75.7
222.15718	4.4
223.14978	3.3
229.15849	6.7
231.13693	3.5
233.15335	7.0
234.16100	19.4
237.14995	2.8
265.22116	2.4
286.19312	4.2
287.20038	9.9
300.20929	5.1
309.18524	3.8
329.21063	7.0
391.26236	7.1
409.27298	64.4
410.27774	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01855	3.3
55.05264	3.1
55.05501	23.1
57.07056	5.9
59.04978	4.2
67.05498	29.4
67.17625	3.1
69.03416	7.6
69.07059	12.8
70.79333	10.1
79.05492	24.0
81.07050	49.8
81.90244	3.3
83.04967	6.6
83.08613	7.5
85.06553	4.7
91.05481	43.7
93.07033	53.8
94.07402	3.8
95.04955	54.0
95.08596	40.3
97.06533	9.4
105.07017	100.0
107.08576	30.6
109.06516	15.3
109.10133	19.7
111.08070	4.7
115.05445	3.3
116.06151	3.3
117.06985	13.7
119.08570	70.0
121.06483	14.7
121.10123	22.4
123.08057	21.7
123.11723	4.7
128.06213	5.6
129.07007	10.3
130.07745	6.8
131.08572	21.5
133.06491	6.4
133.10110	20.8
135.08063	14.0
135.11697	7.3
137.09593	11.2
139.38339	2.7
141.06923	3.7
142.07755	15.3
143.08548	22.8
144.09308	4.2
145.06406	3.6
145.10110	39.6
147.08022	20.2
147.11659	37.9
149.09613	11.3
149.13277	4.8
151.07521	24.8
154.07820	3.4
155.08553	10.3
156.09380	7.1
157.10107	22.7
159.08047	5.7
159.11667	19.8
161.09636	7.8
161.13226	8.6
163.11198	7.9
165.09099	36.3
167.08604	5.7
168.09283	6.9
169.10097	17.0
170.10822	3.3
171.11613	14.7
173.13245	11.7
175.11160	22.2
175.14775	4.2
177.09065	7.2
178.09763	3.7
179.08562	3.7
181.10123	4.9
181.12337	3.6
183.11702	18.3
185.13229	6.1
187.11119	5.9
187.14804	5.0
189.12746	11.7
191.14369	4.5
197.13260	5.4
201.12772	9.3
201.16408	5.3
203.14319	12.7
207.11827	3.6
207.13753	10.5
211.14809	9.6
213.12999	3.0
219.13721	5.3
221.15326	82.6
229.15877	8.2
231.13792	4.2
233.15298	6.6
234.16063	14.3
286.19119	3.9
287.20007	8.9
329.20999	6.8
344.98898	4.2
391.26334	4.8
409.27295	56.5
409.38223	11.2
410.27734	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2732
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03935	3.0
55.01852	2.7
55.05505	16.1
57.07051	6.1
59.04985	3.6
65.03923	3.0
67.05492	17.6
69.03424	6.1
69.07061	6.6
70.53137	3.8
71.04983	1.2
79.05482	19.8
80.41434	1.0
81.03403	2.1
81.07050	28.9
83.04970	5.4
85.06523	3.8
91.05470	34.1
92.06306	1.2
93.07035	38.1
95.04956	45.5
95.08595	24.0
97.06506	7.1
103.05466	2.7
105.07017	100.0
107.04948	1.3
107.08589	21.6
109.06499	11.3
109.10130	7.6
111.08033	2.2
115.05447	4.4
116.06248	1.7
117.07001	14.4
118.07821	1.4
119.04924	2.4
119.08567	64.0
120.09386	1.3
121.06506	16.4
121.10122	12.8
122.41457	1.1
123.08052	16.6
125.06027	1.1
128.06203	3.7
129.07008	7.0
130.07764	3.7
131.08549	19.3
133.06496	5.6
133.10098	15.1
135.08041	12.2
135.11690	3.1
137.06021	1.3
137.09590	8.7
139.11203	1.1
141.06963	4.0
142.07748	12.4
143.08554	13.8
144.09273	2.8
145.06488	2.5
145.10106	35.3
146.07324	1.7
146.10854	1.5
147.08032	17.9
147.11668	41.3
148.08780	1.5
148.12048	1.1
149.09593	12.5
151.07530	19.2
153.09151	2.8
154.07794	1.6
155.08487	5.9
156.09326	4.3
157.10112	20.5
159.08067	4.5
159.11687	13.1
161.09656	8.4
161.13223	4.6
163.11176	6.4
165.06978	1.6
165.09097	37.3
167.08574	2.7
168.09308	4.0
169.10123	8.8
171.11650	7.5
172.08829	1.3
173.09621	5.2
173.13246	7.4
174.10268	1.3
175.11180	32.5
177.09085	4.3
178.09897	3.0
179.08609	1.4
180.09297	2.2
181.10123	4.2
181.12230	2.7
182.10954	2.4
183.11662	8.9
185.09659	2.2
185.13266	5.2
187.11163	2.9
187.14905	2.8
189.12721	5.9
191.10678	1.5
191.14297	1.8
192.09364	1.1
193.10197	1.9
195.11690	3.9
196.12503	1.5
197.13310	3.8
199.11217	3.4
199.14842	2.0
201.12712	8.3
201.16376	2.7
203.14296	14.8
207.11871	2.0
207.13792	6.0
209.13309	4.2
209.15367	3.1
211.11237	1.4
211.14845	4.5
213.12869	2.4
216.15080	1.8
217.10165	1.3
217.12178	1.4
219.13789	4.5
221.15332	69.2
223.14702	1.5
225.12839	1.3
225.16251	1.6
227.14299	1.5
229.15828	6.4
231.13806	3.9
233.13286	1.7
233.15346	2.4
234.16135	16.4
243.13797	1.6
253.15727	1.8
271.17020	1.7
282.19781	1.4
283.20154	1.2
286.19302	3.3
287.20010	7.4
291.17319	1.5
300.20865	5.2
329.21118	6.1
334.33392	1.2
370.58545	1.1
372.82169	1.1
373.24951	1.9
391.26276	3.8
406.75851	1.1
409.22220	2.3
409.27350	37.9
410.27536	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2732
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03940	3.1
55.05511	19.9
57.07063	5.7
65.03907	1.9
67.05498	21.7
69.03417	14.0
69.07048	7.4
70.35092	5.2
70.35496	3.4
70.50845	2.2
72.85011	1.8
79.05480	22.2
80.16810	1.9
81.03394	2.6
81.07049	34.3
82.40975	1.9
83.04977	4.9
83.08639	3.3
91.05475	34.1
93.07036	51.0
95.04955	50.8
95.08591	36.8
97.06497	11.6
103.05441	2.9
105.07018	100.0
107.04887	3.0
107.08579	28.1
109.06500	15.9
109.10158	8.3
113.42491	2.0
115.05448	3.0
116.06171	2.4
117.07015	15.2
119.08571	69.9
119.19387	2.2
120.09361	3.4
121.06499	20.5
121.10133	17.2
123.08068	17.9
125.09617	3.3
128.06262	5.4
129.07024	10.4
130.07784	4.8
131.08557	22.6
133.06482	5.9
133.10123	21.3
135.08046	17.0
135.11665	4.9
137.09575	9.9
141.06960	4.7
142.07784	12.9
143.08554	19.4
144.09325	2.4
145.06493	4.2
145.10107	45.7
147.07983	15.9
147.11670	37.7
149.09613	10.7
151.07524	21.2
153.06996	2.9
153.09129	3.1
155.08517	10.2
156.09325	8.7
157.10112	26.6
159.08075	6.4
159.11665	17.0
161.09581	10.9
161.13234	4.0
163.11179	5.9
165.06989	2.9
165.09097	37.6
167.08522	2.7
168.09319	5.8
169.10136	13.4
171.11691	7.3
173.09631	8.1
173.13205	10.2
175.11177	22.8
177.09096	4.2
179.08521	3.2
181.10149	3.9
181.12183	2.9
182.10832	3.9
183.11722	13.2
185.13284	5.7
187.11147	4.2
187.14850	4.7
189.12692	6.1
195.11601	4.1
196.12437	2.9
197.13289	5.8
199.11136	5.0
199.14789	2.6
201.12631	11.6
201.16379	3.4
203.14314	18.2
207.11887	2.7
207.13828	7.0
209.13283	4.0
209.15381	3.1
211.14784	6.3
213.12883	2.3
215.14204	2.9
219.13789	3.8
221.13390	3.6
221.15337	65.6
223.14680	2.7
229.15897	5.8
231.13849	4.7
233.15387	3.3
234.16147	13.4
253.15712	2.9
267.17514	2.5
269.18750	2.0
286.19266	2.7
287.20065	9.0
300.20724	7.2
323.24826	2.2
329.21155	6.7
372.79422	1.8
391.26328	7.6
408.22589	2.0
409.12564	2.6
409.27335	41.3
410.27707	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.5
55.05508	32.5
57.07060	6.2
59.05014	3.7
67.05499	54.5
69.03432	8.7
69.07072	12.1
70.30505	13.8
71.04974	3.6
79.05484	42.4
81.03416	4.7
81.07046	66.6
83.04966	7.7
83.08604	6.0
85.06506	6.1
91.05467	57.4
93.07038	54.1
95.04960	54.6
95.08589	38.5
97.06510	15.3
103.05408	4.5
105.07019	100.0
107.04971	4.9
107.08567	43.5
109.06496	13.7
109.10137	42.0
111.08079	5.2
115.05457	5.0
115.70287	3.2
117.07018	25.3
119.08570	71.4
121.06529	16.3
121.10115	18.3
123.08083	16.5
125.09587	5.5
128.06230	7.3
129.06975	13.0
131.08568	27.6
133.10153	17.8
135.08044	29.1
135.11656	9.8
137.09608	9.0
141.06995	5.9
141.39088	3.2
142.07790	15.9
143.08548	21.3
144.09302	5.2
145.10098	43.0
147.08043	11.3
147.11682	34.8
149.09613	8.9
151.07530	12.8
155.08559	7.2
156.09322	7.1
157.10094	22.2
158.52249	3.4
159.08040	5.9
159.11696	15.0
161.13216	6.3
163.07524	10.1
163.11180	7.6
165.09055	18.4
169.10132	9.6
171.11731	14.2
173.09572	6.7
173.11761	7.5
173.13229	8.4
175.11143	32.9
177.09071	4.9
180.09424	4.4
181.10080	7.1
183.11676	14.1
185.13239	4.3
187.14824	5.5
193.10020	3.8
195.11630	4.6
196.12462	4.8
197.13286	4.7
199.09631	10.5
199.11272	4.7
199.28442	3.6
201.12755	6.1
203.14366	12.5
207.13812	5.9
211.14880	5.6
219.13864	4.9
221.13315	7.1
221.15326	41.0
229.15962	5.6
234.16158	17.1
287.20206	7.6
306.74359	3.7
329.20963	5.1
331.98865	3.8
342.58029	4.1
362.43658	3.7
391.25970	8.2
400.32590	3.7
402.81927	3.7
409.22147	18.5
409.27252	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.4
53.03928	6.1
55.01862	3.1
55.05309	1.8
55.05508	18.9
57.07058	7.6
59.04982	4.3
65.03936	5.1
67.05503	18.8
69.03406	6.3
69.07050	8.3
70.35606	7.7
72.42985	1.8
79.05485	21.8
81.03388	2.5
81.07056	38.3
83.04965	7.4
83.08593	3.4
85.06539	5.0
91.05473	43.6
93.07032	49.3
95.04398	3.5
95.04964	53.6
95.08598	30.9
97.06509	7.5
103.05453	4.5
105.07026	100.0
107.04955	2.8
107.08583	28.6
109.06500	18.4
109.10155	11.0
111.08049	2.0
115.05425	2.3
117.07002	15.7
119.04910	3.2
119.08573	68.9
121.06510	20.2
121.10130	20.4
123.08073	18.0
128.06198	5.8
129.07004	11.3
130.07773	5.9
131.08577	26.3
133.06473	6.3
133.10124	22.4
133.17441	2.0
135.08049	13.0
135.11697	4.4
137.06010	2.2
137.09573	11.6
141.07031	3.6
142.07764	12.9
143.08568	17.1
144.09325	3.6
145.06461	2.6
145.10126	42.7
147.08031	19.3
147.11670	33.3
149.09621	11.0
150.10388	2.9
151.07536	29.4
153.09007	2.3
155.08597	11.2
156.09341	6.5
157.10110	24.6
158.07278	2.2
159.08040	6.4
159.11682	19.0
161.09596	7.9
161.13329	3.7
163.11136	6.2
165.09116	35.7
167.08536	5.0
168.09280	7.1
169.10083	10.7
170.10909	4.2
171.11720	11.1
173.09567	3.5
173.13187	7.0
174.10326	2.3
175.11172	25.7
177.09132	4.5
178.09857	3.9
181.10109	5.3
182.10849	2.3
183.11624	11.9
185.13277	6.2
187.11330	5.0
187.14798	5.1
189.12704	6.2
191.14314	3.3
193.10207	2.2
195.11691	4.8
196.12553	3.0
197.13268	3.3
199.11229	4.5
199.14893	3.4
201.12749	9.0
201.16365	3.5
203.14285	14.8
207.13821	7.5
209.13217	2.9
209.15265	2.3
211.14830	6.6
213.12762	4.3
215.10594	2.8
215.14252	3.5
220.12378	2.8
221.13522	2.7
221.15344	78.0
222.15746	3.7
229.15869	7.6
231.13831	6.6
234.16077	12.2
253.15744	2.6
269.19083	2.5
286.19171	4.4
287.19962	6.4
300.20804	4.5
329.21021	7.2
391.26175	3.8
409.12881	4.1
409.27313	49.0
410.27750	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
55.01850	9.9
55.05501	6.2
56.96569	3.0
57.03422	7.8
57.07074	4.0
59.42830	2.1
61.02903	8.8
65.03942	2.5
67.05501	15.0
69.03419	39.5
69.07050	9.8
70.06560	3.0
71.04978	8.0
73.02914	4.6
79.05478	13.2
81.03399	27.3
81.07043	22.8
83.04996	4.6
83.08617	2.9
85.02897	100.0
87.00815	35.2
90.00233	2.7
91.05465	8.7
93.07024	6.9
95.04974	3.9
95.08608	4.8
97.02898	32.2
97.06512	7.8
99.04459	13.7
105.01855	52.5
105.07011	5.3
107.08588	4.7
109.02865	28.6
109.06493	3.3
109.10133	9.9
115.03970	2.6
117.01787	3.1
117.06996	5.0
119.08586	5.3
121.06502	3.1
127.03899	67.5
129.01785	4.9
134.10500	2.7
135.04433	2.6
135.08015	5.5
145.04942	37.9
145.10086	2.5
159.02869	17.4
159.08018	2.4
163.07559	2.7
163.11115	2.4
164.77911	2.6
173.11671	3.2
189.03947	5.0
191.06918	3.7
203.10507	2.7
222.94487	2.3
231.04970	16.0
231.09984	2.9
249.06093	4.1
251.16386	5.6
267.09048	2.8
285.10052	2.5
316.19675	3.4
337.16309	6.1
358.34393	2.6
364.92258	2.7
390.23505	3.4
408.27359	2.7
409.12918	4.4
409.21860	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39118	0.7
56.05030	0.7
61.02901	1.0
69.03396	1.3
70.06573	3.2
71.04949	0.8
71.74084	1.1
72.08130	1.6
73.02898	0.8
79.05484	1.0
81.03415	0.8
83.05020	0.7
83.06095	0.9
83.26209	0.7
84.04485	0.9
84.08128	1.9
85.02880	2.6
86.09697	1.6
91.05473	0.7
97.02898	1.3
107.04951	1.5
121.06544	1.5
123.04429	1.9
138.05403	0.7
138.52477	0.7
141.36459	0.6
147.04381	1.2
149.05959	2.3
150.86732	0.8
151.03909	1.0
167.07014	100.0
168.07394	2.5
172.66595	0.7
181.08569	3.3
193.08607	3.7
202.30684	0.7
211.09625	13.9
229.10669	8.8
234.98965	1.7
255.43770	0.7
264.47241	0.6
303.05310	0.9
373.56613	0.8
408.13013	2.4
409.10992	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05228	1.8
55.05502	37.4
56.05027	1.6
58.99579	17.6
61.01143	1.4
65.15106	0.9
69.60440	0.8
70.98902	2.0
75.02712	1.1
76.02214	8.7
76.03983	4.1
81.07041	2.3
83.06057	2.0
83.08605	50.0
84.03990	1.6
84.04491	26.1
85.01121	1.2
86.99039	16.0
88.02192	3.8
99.05538	1.7
101.09637	2.3
102.37588	0.8
103.02120	0.9
104.71365	0.8
105.00053	1.0
107.08563	2.5
115.05767	1.2
116.01661	66.6
129.06551	3.2
129.07352	2.2
130.04979	4.1
141.07332	0.9
142.03183	5.1
144.01123	27.7
149.02771	0.9
159.08369	35.6
162.02177	100.0
163.02478	1.4
170.02637	1.7
176.11000	4.8
179.04849	1.1
189.72710	0.8
205.08914	1.5
244.10020	1.5
245.05864	1.3
261.10583	1.0
262.11047	42.6
279.13727	18.1
333.14734	10.4
408.17862	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	0.8
55.05232	1.6
55.05502	30.7
56.05025	1.5
58.99576	15.8
61.01154	1.9
68.19067	0.9
69.68039	8.3
73.01129	1.1
76.02216	6.3
76.03990	3.5
81.07052	1.8
83.06094	2.6
83.08607	45.0
84.04488	19.9
85.01147	1.0
86.99033	10.5
88.02213	3.7
99.05569	1.4
101.09660	3.3
105.00098	1.0
114.43527	1.2
116.01663	61.7
121.11723	0.9
129.06577	4.2
129.07390	2.1
130.04982	4.8
142.03229	4.3
144.01123	28.4
145.06073	2.2
159.08371	33.2
162.02184	100.0
176.11052	3.2
204.73515	0.9
253.32376	1.3
261.10925	2.2
262.11066	47.2
279.13696	15.1
333.14801	13.8
343.59329	1.1
408.18018	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80057	0.5
53.86436	0.5
55.05505	1.3
57.03433	5.4
57.07073	7.1
67.05499	2.6
69.07053	1.7
70.35204	1.2
70.35605	1.0
71.08633	4.1
73.57129	0.5
79.05489	1.2
81.07042	3.6
83.08626	1.9
85.10177	2.3
93.07047	1.3
93.08032	0.5
95.08589	4.0
97.10191	0.8
109.10139	2.0
113.00008	94.1
113.58447	0.5
117.07064	0.5
119.08570	1.2
123.11687	0.9
129.07028	0.5
131.01045	1.0
133.10106	0.8
139.01506	0.7
154.02643	0.9
169.02605	100.0
170.02971	1.1
322.86871	0.7
407.26193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.4
55.05492	2.1
57.03412	1.9
61.02907	6.4
64.81577	1.0
67.05501	3.3
68.99783	12.4
69.03416	5.9
71.01337	4.5
73.02900	1.6
76.43532	1.1
79.05483	2.9
81.03402	7.4
81.07040	1.6
83.04970	1.9
85.02901	13.1
87.00815	8.7
91.05447	5.4
93.03401	1.2
93.07023	2.8
94.33706	1.2
95.04967	2.8
95.08604	1.8
97.02875	44.3
97.06495	1.6
99.04435	3.7
103.05456	2.4
105.03350	1.2
105.07015	4.2
107.04944	3.7
107.08604	1.3
110.40218	1.4
111.04427	13.2
115.05440	7.8
116.06213	1.5
117.06981	6.1
119.08569	2.7
121.06541	2.0
128.05377	1.3
128.06230	5.3
129.01854	7.0
129.06973	5.6
130.07758	1.2
131.04919	3.5
132.05682	1.3
133.06490	7.3
138.07979	1.3
141.06993	4.5
143.04932	1.4
143.08510	2.5
144.05670	5.9
145.06427	7.9
145.10094	2.1
147.02896	3.3
147.04425	3.9
147.08032	6.4
149.05923	1.4
151.07626	2.1
153.07004	2.2
154.07732	2.6
155.04916	1.3
155.08578	2.0
156.05682	6.1
157.06453	5.0
158.07266	5.3
159.04376	1.9
159.08005	6.8
160.05225	1.9
161.05991	6.7
163.03937	2.5
163.07484	1.9
165.07045	4.0
167.07039	11.5
167.08424	1.6
168.05672	2.4
169.06459	3.5
170.07245	4.2
171.02968	1.6
171.04393	1.9
171.08049	6.0
172.05167	1.7
172.08810	1.9
173.05981	15.7
173.09601	5.2
174.06717	6.9
175.07532	7.2
175.11186	1.5
176.04630	1.9
176.08252	2.9
177.05473	3.4
178.03192	1.4
178.06258	3.0
181.06456	3.6
182.07274	4.9
183.08020	5.5
184.05202	3.3
185.05896	6.5
186.06786	4.5
187.03853	2.1
187.07516	13.2
188.08287	3.4
189.03990	2.6
189.05380	2.9
189.09094	7.7
190.06270	4.8
191.06984	21.3
191.10632	1.7
192.07793	3.4
193.06682	1.4
193.08601	5.0
195.08020	1.6
196.08754	1.6
197.05943	3.2
197.09489	6.3
198.06725	8.5
199.03891	1.7
199.07542	8.3
200.08231	5.7
201.05484	5.8
201.09070	15.7
202.06247	4.6
202.09741	1.4
203.07027	5.8
203.10692	3.9
204.07779	5.1
205.04971	5.6
205.08591	16.8
205.12144	1.3
206.09174	1.2
207.10089	7.6
210.06725	3.8
211.07564	8.0
212.08197	2.9
213.05453	4.3
213.09180	2.8
214.06253	3.6
214.09749	2.4
215.07027	7.2
215.10672	3.5
216.07755	7.2
217.08597	32.4
217.10526	2.3
217.12022	1.6
218.09319	6.6
219.06564	4.1
219.10100	11.5
220.07317	9.2
223.07439	1.9
224.08264	2.1
225.05545	1.3
225.09123	12.2
226.09853	4.5
227.07027	6.4
228.07858	7.5
229.08586	10.9
230.09338	2.8
231.06729	6.9
231.10132	44.4
232.10690	2.7
233.08130	2.8
233.11664	12.3
234.08875	1.8
239.07133	1.8
241.08575	5.2
242.05757	1.4
242.09335	5.2
243.06705	1.4
243.10172	9.6
244.07327	2.7
245.08089	3.2
245.11761	2.5
246.08855	18.1
247.06113	2.7
247.09557	3.4
253.08629	4.6
254.09386	4.2
255.06485	1.6
257.08322	1.6
257.08847	2.0
257.11703	21.0
259.09589	13.0
260.10379	2.1
261.11206	17.1
262.08350	7.5
267.10150	4.5
271.09650	2.7
273.11206	2.7
275.12860	6.4
285.11176	35.0
303.12234	100.0
304.12503	4.9
321.13379	3.2
366.09332	1.7
389.12204	3.2
407.13135	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	4.1
56.96553	3.6
57.03410	3.5
58.99566	4.6
68.91549	2.2
70.06557	7.6
70.34310	10.7
76.02188	9.5
76.17511	2.6
81.07027	8.1
82.07348	3.7
82.44551	2.5
84.04482	16.4
84.08112	4.6
85.04809	4.5
85.46695	2.5
86.00615	3.3
86.09682	3.7
86.99065	2.3
87.39146	2.9
97.02853	2.3
98.09659	9.4
98.97562	13.0
99.08067	3.8
99.09955	3.1
109.06442	2.4
116.01645	9.4
116.98579	10.7
117.01954	3.1
128.98560	4.1
130.04977	6.0
134.99567	2.7
136.07550	2.8
137.32784	2.2
143.00133	2.9
144.01131	2.4
146.99579	2.9
147.04443	2.5
147.32909	2.5
152.98500	2.5
156.08328	4.3
156.10178	6.2
157.08701	7.6
157.10452	3.4
162.02148	4.3
174.09476	4.7
175.09749	2.6
205.98491	2.6
219.01776	3.5
237.02744	6.8
259.11102	24.9
260.11392	42.7
261.10767	5.4
293.09003	23.0
311.09680	2.7
407.12845	100.0
408.13318	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.4
55.05485	4.5
56.05027	12.1
56.96550	5.0
57.03435	6.3
58.99589	11.0
64.29581	3.3
69.03415	5.3
69.80457	8.3
69.80863	19.5
70.06589	16.2
72.08175	7.6
76.02222	16.7
76.04000	4.5
76.11887	3.4
79.05494	5.3
81.07069	19.1
82.07370	7.7
84.04488	30.5
84.08096	4.9
85.02914	6.3
85.04817	9.1
86.09702	6.6
86.99059	8.9
87.02687	6.3
95.08563	4.2
98.09689	11.8
98.20690	6.9
98.52717	3.6
98.97582	15.7
99.08125	4.0
99.10049	4.2
102.05500	7.5
105.07054	4.6
106.85343	3.6
113.04189	5.1
116.01661	19.3
116.98598	5.7
117.01971	4.7
128.98561	8.5
129.06621	4.7
130.04974	7.7
134.32242	3.7
136.07584	5.5
144.01137	7.1
156.08377	15.9
156.10164	11.3
157.06743	6.7
157.08740	12.6
157.10614	8.4
158.99619	5.0
162.02217	17.4
163.02501	6.1
170.99641	4.4
174.09500	7.7
175.09755	10.3
179.04811	4.1
194.08284	4.5
216.06902	4.0
217.07187	5.6
226.26436	3.9
237.02747	8.9
246.24088	3.8
259.11142	42.7
260.11392	100.0
261.10883	5.0
275.07758	4.9
293.08902	21.5
311.09982	4.2
314.12479	5.2
332.13409	8.1
389.78177	3.4
407.12903	94.5
407.18625	8.4
408.12570	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49331	2.6
55.93463	2.5
56.96564	5.4
58.99858	3.9
70.68887	6.5
70.99845	6.1
71.95747	2.4
73.01390	4.3
77.00910	5.6
80.21381	2.7
84.08117	4.8
85.02908	4.6
86.09700	4.0
89.00852	3.2
91.02453	10.6
97.02895	3.2
98.97579	6.2
101.00877	39.7
101.05207	2.5
101.87002	2.6
103.02427	3.8
104.70081	2.7
105.00369	3.5
105.79265	2.7
107.85297	2.6
109.03514	4.2
109.24741	2.4
112.05104	2.9
113.00847	12.3
113.03500	3.9
115.02424	24.9
116.98589	3.6
117.03978	12.5
119.01910	100.0
120.01994	3.1
124.93275	2.5
126.98788	14.9
129.03966	5.9
131.01884	45.3
133.03448	46.4
135.05006	12.8
137.02917	11.0
141.00319	2.8
142.03493	4.3
143.01901	20.8
144.99811	90.9
145.03452	22.1
147.01340	5.8
147.05031	4.5
149.02943	37.5
151.04509	6.0
155.01874	25.7
157.03448	7.4
157.52942	2.9
159.01366	17.4
159.05037	19.5
161.02956	36.5
163.00896	15.0
163.04501	16.6
167.04002	8.4
167.67691	2.7
168.01274	5.0
168.99821	11.2
171.01337	4.2
171.04991	22.9
172.99318	31.3
173.02940	31.0
173.06656	4.9
175.00909	8.7
175.04539	3.6
177.00922	2.7
177.02432	47.6
177.05998	5.0
185.02965	5.6
187.00850	42.4
187.04478	4.1
189.00908	3.4
189.02428	17.5
189.06084	23.9
190.02527	3.1
191.00359	29.6
191.04025	11.0
195.03513	9.5
196.99396	3.5
199.00858	3.9
201.02472	6.5
201.06081	9.0
203.04019	15.8
205.01923	56.1
207.03519	12.4
211.00758	4.9
212.98781	21.4
213.05960	7.6
215.00345	25.1
217.01933	10.6
219.01639	3.8
219.03500	7.6
219.07123	5.5
221.05067	46.0
223.02919	20.1
227.00371	20.5
229.01930	12.3
230.30063	2.7
230.99796	19.7
231.03453	13.7
235.03194	4.2
240.98235	3.9
242.99875	7.8
243.07249	5.2
245.01447	22.9
245.05042	4.6
246.78517	2.7
247.03056	20.8
249.04478	5.0
254.99805	35.1
257.01526	4.7
258.99133	6.1
259.02997	13.7
259.06729	5.8
261.04361	3.0
261.08185	35.8
271.03012	4.4
273.00858	50.2
275.02438	3.8
277.04013	8.2
279.05920	4.8
279.09213	56.8
282.99588	7.2
285.00882	6.7
287.02469	29.0
301.00372	35.1
303.01880	3.7
305.03510	20.5
307.08835	17.4
315.01974	72.7
316.02142	2.7
317.03558	5.5
319.01517	7.8
319.04922	4.8
324.02426	3.2
333.03024	93.4
334.03320	4.6
343.01617	3.1
347.04620	4.8
347.08264	21.4
356.04593	8.2
375.03940	8.8
391.27316	3.3
407.10245	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
56.96547	0.7
57.03424	1.0
58.28143	0.4
65.03927	2.5
67.05478	1.0
67.99570	0.5
69.03408	2.1
69.07055	0.8
70.06567	2.8
71.04974	0.8
71.09200	1.0
72.08161	0.7
73.02901	1.1
76.02202	0.6
78.03430	2.2
79.05487	1.0
81.03414	3.1
81.07028	1.4
83.04980	0.9
84.04495	1.2
84.08137	1.7
85.02884	2.2
86.09694	1.4
90.10825	0.5
91.05476	0.9
93.07030	1.2
94.79111	0.5
95.04954	3.1
96.04469	1.1
97.02861	1.9
97.06549	0.6
98.97581	2.5
99.04441	0.9
105.07037	0.8
106.02901	8.8
107.04943	0.6
107.08583	0.8
109.02846	2.4
109.06506	0.8
111.04436	2.3
116.98610	1.7
117.07010	0.9
119.04924	0.6
119.08546	1.1
120.08089	0.6
121.02849	100.0
121.10150	0.7
122.03191	3.8
124.03936	23.8
125.04236	0.7
127.03881	1.6
129.10228	1.0
131.08548	3.5
133.10075	0.6
134.99669	0.9
137.05983	2.4
139.03896	1.6
145.06393	0.6
145.10092	0.9
147.04398	1.1
149.09599	2.0
158.99637	1.2
162.02167	0.6
163.11180	0.6
166.05026	0.8
171.04359	1.3
173.06021	0.6
177.00804	0.7
179.57845	0.6
183.06483	3.0
191.10594	1.1
193.12216	0.6
209.11673	4.8
210.12029	0.6
215.07074	0.8
219.01726	0.7
232.07463	0.6
250.07019	3.9
255.42860	0.5
259.11118	2.3
268.08151	9.9
269.08624	0.8
297.08609	0.7
313.10968	0.6
314.08490	1.9
332.09531	3.0
345.13287	1.6
370.09113	2.5
388.10138	5.0
388.23422	0.6
406.11420	2.6
406.17572	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31161	2.6
50.84458	2.4
56.05011	4.0
57.03419	4.8
58.99572	5.9
62.21903	2.5
67.05476	9.9
68.93999	2.6
69.03418	4.3
69.07025	3.3
69.82499	19.1
71.04986	13.0
76.02236	14.3
77.88985	2.4
79.05460	12.6
79.88558	2.5
81.07033	12.5
83.04969	4.2
84.04501	23.0
85.02891	19.1
85.06538	69.2
86.00633	5.6
87.02654	4.6
91.05446	8.1
93.07013	13.1
95.04992	3.5
95.08601	5.2
98.09668	6.5
99.08082	6.1
105.06990	9.7
107.04929	5.4
107.08552	12.6
108.21101	2.5
109.06519	3.7
111.03626	2.3
111.04399	12.8
116.01700	14.7
117.06994	4.5
119.08581	14.4
120.08068	6.7
121.06469	6.7
121.10133	14.4
125.05916	3.7
130.05045	4.9
130.06805	4.6
131.08554	42.0
135.11671	3.5
137.09583	5.3
141.22453	3.1
144.01123	2.9
145.10124	20.4
149.09607	47.6
156.08435	12.5
156.10172	7.7
157.06718	3.1
162.02185	17.1
163.11169	16.0
165.09050	8.6
167.10695	18.8
174.09479	6.7
175.03952	3.3
179.04776	4.3
191.08977	2.8
191.10619	55.9
191.12222	4.6
207.06465	6.7
209.11700	54.1
216.06895	5.2
227.12764	100.0
259.11090	52.4
293.55453	3.2
307.36728	3.3
331.13297	4.6
381.66507	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.3
55.05493	2.9
56.05021	5.9
57.03433	5.0
58.99577	11.0
66.32195	0.7
66.51018	0.8
68.05033	1.6
69.03431	0.7
69.07043	1.8
71.14008	1.6
72.08152	0.9
73.01127	1.3
74.00647	2.6
76.02221	23.1
76.03971	1.9
79.05471	2.8
80.04996	1.1
81.06604	1.3
81.07049	18.3
83.06092	1.7
83.08592	0.9
84.04495	25.7
85.01110	3.4
86.00648	5.0
86.99040	7.2
87.02682	5.4
88.02197	2.0
94.06562	0.8
95.08583	3.1
96.08091	1.2
97.06489	1.9
98.09044	0.8
98.09679	11.1
99.08089	5.4
101.00637	0.9
102.05527	3.4
105.07004	1.0
107.54813	0.7
110.09653	2.2
112.03928	3.7
113.04209	7.0
114.03764	0.9
115.05764	1.5
116.01662	23.7
122.09639	1.6
123.08012	1.0
127.05768	1.3
129.06557	2.7
130.04996	7.1
130.05795	1.0
130.06851	4.6
130.08592	0.9
131.08521	1.2
132.52820	0.6
139.05722	1.8
142.03200	2.4
144.01117	8.2
145.06004	1.6
156.08400	21.3
156.10173	13.1
157.06802	7.0
162.02180	22.5
174.09470	12.0
179.04843	9.0
189.03287	1.7
209.11723	1.8
210.11186	2.2
216.06888	6.7
233.05902	2.2
242.08449	0.9
259.11096	100.0
260.09146	1.3
260.11398	2.3
277.12054	1.3
277.31345	0.8
285.12643	0.9
313.12128	3.3
331.13217	4.8
343.13260	0.9
388.15198	1.3
406.16269	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01871	4.8
55.05501	11.2
57.03431	5.0
57.07072	3.8
61.04077	0.6
66.73055	0.6
67.05501	6.2
69.03399	1.1
69.07057	11.2
70.94192	1.8
71.08625	2.1
79.05485	4.1
81.07050	8.9
83.04967	0.8
83.08611	9.2
85.10162	0.8
91.05494	1.2
93.07040	5.5
95.08608	4.8
96.85379	0.5
97.06510	1.2
97.10155	7.7
97.16596	0.7
97.17281	0.6
98.20750	0.7
105.06990	1.3
107.08586	3.3
109.10137	2.2
111.08036	0.6
111.11705	2.7
113.00002	100.0
121.10123	5.8
123.04395	0.7
123.11678	1.7
123.19733	0.6
131.00998	1.0
135.11694	2.8
137.13235	1.5
139.01402	0.6
149.13225	1.3
151.74463	0.6
154.02638	0.6
169.02596	96.9
170.02982	1.2
219.21062	1.6
237.22084	7.1
251.05663	0.6
405.18973	2.2
405.27945	0.7
429.98932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43763	0.8
53.03930	2.6
55.01629	0.9
55.01861	6.0
55.05509	8.4
57.03434	5.0
65.03928	2.1
67.05499	17.8
69.03433	1.7
69.07064	12.7
71.04981	3.6
71.48402	1.5
71.48730	1.1
73.06546	1.6
77.03928	0.9
79.05488	27.1
81.03407	8.4
81.07048	13.6
83.04961	2.8
83.08596	2.9
85.02876	1.8
89.03761	0.9
89.98295	1.0
90.65778	0.9
91.05470	23.7
93.07037	16.0
95.04956	18.6
95.08614	5.3
97.06515	7.6
97.10152	4.0
103.05466	2.4
105.03374	1.0
105.07015	16.5
107.04939	12.7
107.08579	10.3
108.11601	0.9
109.02863	1.0
109.06493	3.1
109.10156	1.8
111.04420	1.3
115.05436	3.6
117.07008	13.4
118.27848	0.9
119.04923	2.4
119.08573	7.4
121.06499	11.9
121.10120	6.8
123.04417	1.3
123.08010	2.1
125.05988	2.6
125.09599	2.2
128.06230	3.6
129.05498	2.2
129.07002	11.4
130.07703	0.9
131.04912	5.4
131.08560	18.7
133.06468	8.2
133.10121	4.0
135.08029	7.0
137.06062	1.0
137.09625	1.4
141.06996	7.8
142.07813	1.8
143.07022	7.6
143.08556	7.2
145.06458	7.9
145.10103	6.6
147.08022	6.5
147.11653	1.4
149.09601	14.9
153.06955	1.4
153.08971	1.0
155.08536	6.5
157.06458	3.4
157.10094	5.5
159.08038	11.8
159.11646	5.7
161.05998	1.2
161.08218	2.2
161.09621	9.5
163.11174	2.1
165.06996	1.4
167.08548	2.0
167.10599	0.8
169.06441	1.7
169.10078	7.4
171.08022	3.9
171.11682	5.5
173.09587	6.2
175.07550	3.1
175.11174	4.1
177.09113	6.8
177.12811	1.4
178.07874	1.1
179.08594	1.5
181.06584	1.2
181.10123	3.1
183.08049	3.1
183.11674	4.2
184.08852	1.1
185.09660	4.1
187.07538	3.9
187.11162	7.4
189.09084	1.7
189.11203	1.6
189.12761	2.5
191.10634	1.4
193.10129	1.3
195.10155	1.4
197.09625	3.6
199.09555	1.2
199.11221	3.0
201.09032	6.0
201.12761	2.4
202.09500	1.2
203.10678	4.8
205.12215	2.0
207.11639	1.2
211.11151	5.5
213.12889	1.0
215.10629	6.1
217.12279	1.5
219.10120	1.5
219.13638	1.0
225.12784	1.3
227.10594	1.6
227.12703	2.1
229.12199	5.3
233.11574	1.2
235.11206	1.1
239.12808	1.2
239.17918	1.3
245.11885	1.2
247.13232	1.3
249.16464	1.8
253.15709	1.2
259.14856	1.1
267.17624	4.7
277.15833	2.9
285.18445	6.5
293.13635	1.0
295.16925	14.0
302.41327	0.8
303.19449	1.1
313.17944	100.0
314.18350	5.8
321.17007	1.3
331.19025	4.3
349.19876	1.3
351.19733	1.0
357.59763	0.7
369.20480	1.6
387.21649	20.0
388.22202	1.7
405.18652	1.0
405.22665	26.0
406.22787	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.05484	4.7
57.03417	4.6
67.05521	5.0
69.03419	9.7
70.06570	9.7
70.33860	12.2
71.04996	2.8
72.08148	18.0
74.06063	4.8
79.05473	7.7
81.03384	5.1
81.07018	4.9
83.04969	3.5
84.04497	5.7
84.08118	6.4
85.02498	2.4
85.02893	22.8
85.06528	8.1
86.09688	16.8
86.84756	2.8
87.00808	3.4
87.10024	3.6
87.61791	2.5
90.34399	2.6
91.05466	45.8
93.07011	8.3
95.04939	6.5
95.08607	6.0
97.02863	8.4
97.06533	3.7
102.05512	3.2
105.01831	3.9
105.07021	52.0
107.08595	13.1
108.38587	2.8
109.06483	15.8
111.04427	6.0
117.06998	5.6
119.08572	53.9
120.08100	5.1
121.06526	3.4
121.10123	12.8
123.08105	13.2
123.11652	4.9
127.03899	8.6
129.07033	4.3
129.10207	2.6
131.08537	8.9
132.10173	5.0
137.05952	3.3
137.09589	9.8
143.11742	3.2
145.06451	3.0
145.10120	16.7
147.11668	81.2
149.09569	11.6
151.07530	3.4
156.09225	4.7
156.95016	2.7
161.13187	3.5
163.07526	2.6
163.11241	4.7
165.12761	6.0
171.11574	5.1
174.10324	3.2
181.05074	3.0
187.07480	3.0
187.14165	2.4
188.07826	3.1
189.12727	49.8
190.12941	2.7
193.08569	11.1
202.09407	3.6
207.13780	100.0
208.14140	2.6
211.09669	3.7
232.07127	3.5
234.15201	5.5
267.07361	2.9
330.07925	2.6
387.11615	3.3
387.97403	2.8
395.85852	2.8
405.12466	5.4
405.13705	3.2
405.17148	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79508	0.5
57.03434	3.9
67.05498	0.7
69.03403	1.1
69.96597	1.1
69.97003	2.1
70.06572	2.3
72.08136	1.9
73.02903	1.7
74.06061	0.6
75.04462	2.4
81.03398	1.3
83.04953	0.7
84.04471	0.5
84.08130	0.8
85.02905	5.8
86.09715	3.2
87.00813	0.9
91.05469	100.0
92.05785	2.7
95.01330	2.7
95.04954	0.6
95.08604	1.1
97.02901	0.7
99.00829	0.6
102.05539	1.4
102.37861	0.5
105.01842	0.8
108.27506	0.6
109.29196	0.6
113.02342	1.1
113.83435	0.6
116.98563	0.6
120.08122	0.6
121.06519	0.7
123.08028	0.9
127.03890	0.8
131.03352	0.9
137.05945	7.5
141.01820	5.7
147.07671	0.6
187.07484	0.8
193.08586	47.0
194.08914	1.4
211.09650	17.1
215.07175	0.7
242.08133	2.3
281.08627	0.5
301.11197	0.6
313.08255	2.2
331.09332	2.0
345.10953	0.7
369.11444	1.9
373.10297	0.6
405.17343	3.4
425.13589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72235	1.6
55.01867	2.5
56.05032	2.7
57.03423	2.0
58.99580	15.2
60.04521	1.8
62.06095	3.3
67.05496	2.5
67.46288	1.5
68.73863	1.5
69.07060	4.3
69.60223	1.4
70.74115	4.4
70.74467	1.7
74.06059	3.0
76.02221	100.0
76.03992	3.3
79.05491	8.6
84.04500	33.2
86.09694	4.5
86.99048	3.5
88.02187	2.2
97.06519	80.0
103.25152	1.5
116.01666	24.7
124.72118	1.5
127.14254	1.5
130.04990	19.7
142.03201	12.9
144.01123	11.3
144.93315	1.8
162.02191	43.4
162.03537	2.8
170.02692	3.8
179.04836	67.7
215.04973	2.2
228.13284	1.6
232.36873	1.6
233.05846	19.3
245.06010	3.8
257.09521	2.5
275.10706	3.2
291.06458	3.0
308.09052	24.2
327.48392	1.5
404.15118	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
67.46556	0.9
69.03411	2.1
70.48019	1.1
70.48364	3.4
85.02900	5.1
86.09682	0.8
91.05468	13.9
93.09605	0.9
97.02856	2.1
109.02827	1.0
117.91497	0.7
118.04173	1.5
119.04926	21.8
145.04967	1.8
147.04385	20.9
149.02325	1.1
154.06796	0.9
157.03941	1.9
164.04623	1.8
175.03888	38.3
175.05405	2.0
177.01799	1.1
179.07068	1.5
180.08670	1.3
192.04166	12.2
207.06508	100.0
208.06822	3.1
225.07555	30.9
257.09488	1.1
332.22504	1.0
405.17160	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
67.46556	0.9
69.03411	2.1
70.48019	1.1
70.48364	3.4
85.02900	5.1
86.09682	0.8
91.05468	13.9
93.09605	0.9
97.02856	2.1
109.02827	1.0
117.91497	0.7
118.04173	1.5
119.04926	21.8
145.04967	1.8
147.04385	20.9
149.02325	1.1
154.06796	0.9
157.03941	1.9
164.04623	1.8
175.03888	38.3
175.05405	2.0
177.01799	1.1
179.07068	1.5
180.08670	1.3
192.04166	12.2
207.06508	100.0
208.06822	3.1
225.07555	30.9
257.09488	1.1
332.22504	1.0
405.17160	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92090	0.4
53.03929	0.4
55.05503	7.5
56.05032	1.1
57.05793	1.2
57.37435	0.4
63.98304	0.4
69.03429	0.7
69.07065	0.6
70.06586	1.3
71.73908	0.4
71.74385	0.5
72.08146	100.0
73.02900	0.8
73.08473	1.0
74.06070	1.5
81.03415	1.3
81.07001	0.4
84.04493	0.5
84.08141	1.0
85.02444	0.4
85.02872	2.1
86.09695	40.5
88.03945	0.6
91.05480	1.1
97.02892	1.0
108.08070	0.6
109.02896	0.4
119.04964	1.5
127.03904	0.7
128.10754	0.7
129.01912	0.7
129.10214	0.9
132.10222	1.0
134.04475	1.0
134.08144	0.5
139.38525	0.4
143.11778	26.5
145.09766	0.9
147.04449	1.4
150.09180	0.6
171.11272	15.7
173.12883	0.5
175.03882	2.7
175.10703	0.4
183.11319	1.6
185.16568	0.6
187.14476	0.7
192.04239	0.5
201.12395	1.2
203.13937	1.1
205.11891	0.5
207.06512	6.4
213.16016	0.5
224.61816	0.4
225.07628	2.2
225.15971	4.2
229.11826	0.7
233.11299	17.1
233.14938	0.8
254.15213	0.6
266.19427	0.4
270.18146	3.5
403.15466	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64488	4.5
53.99056	4.1
55.01876	5.9
55.05500	7.2
56.05033	5.0
57.03430	18.2
60.04513	5.4
61.02924	13.1
63.05678	4.6
67.05527	6.3
69.03426	28.3
70.06596	27.5
70.64515	19.7
72.08154	40.1
73.02917	53.7
73.08482	4.6
74.06068	5.2
74.98298	5.1
76.03992	22.4
79.11517	5.2
81.03412	17.8
84.08131	15.6
85.02894	100.0
86.09697	27.9
87.04446	5.4
88.03997	6.1
91.03950	8.8
91.05488	14.2
93.07011	6.3
97.02869	61.8
98.97578	4.8
99.04466	5.2
101.43828	4.8
102.05499	7.0
103.03939	7.3
109.02892	12.1
112.82037	4.7
115.03917	26.1
119.08548	12.0
120.08904	6.3
127.03900	38.6
129.10146	7.1
133.04935	26.7
137.09563	6.4
140.04012	5.9
145.04945	53.6
154.08594	10.6
163.06001	19.7
165.09128	10.7
183.10106	4.9
202.10693	5.6
203.60425	4.6
259.08261	8.1
402.18454	12.2
403.15747	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68906	0.8
52.86423	0.9
54.55666	0.8
55.01862	3.1
57.03437	1.0
58.35652	0.8
67.05488	1.4
69.03414	1.5
69.07053	1.5
69.73050	0.8
70.06588	1.2
71.36083	2.2
79.05491	1.8
81.03407	2.1
81.07039	1.9
84.08144	0.8
85.02879	1.4
91.05461	2.9
93.07011	1.0
95.04989	1.3
95.08573	1.1
96.90775	1.0
97.02837	1.0
97.06539	4.8
100.11237	1.1
105.07005	1.5
107.08573	1.8
108.04449	1.3
108.10415	0.9
117.06976	1.2
119.08566	1.0
129.01813	1.4
143.17175	1.0
146.05965	1.9
152.75517	0.8
158.56561	0.9
167.07158	1.6
168.08086	2.3
170.09695	1.4
181.04924	2.3
184.09886	0.9
185.07043	1.6
185.10760	3.9
195.09299	1.2
196.07480	0.9
198.07843	4.3
199.08662	12.7
199.12325	2.0
200.09438	1.4
209.10797	2.7
210.09180	1.8
211.08635	1.2
212.09335	5.7
213.06630	3.6
213.10168	19.9
214.10704	1.1
215.04765	1.1
222.07835	1.4
225.10211	1.9
226.07211	1.8
226.10939	1.0
227.08170	13.7
227.11711	12.0
228.08888	3.9
229.09694	3.9
233.02936	0.9
237.10187	4.5
239.08070	2.4
239.11874	1.5
240.08896	8.0
241.06091	9.2
241.09682	37.6
242.10335	2.8
253.09775	2.4
254.10406	1.2
255.07742	6.4
255.11250	36.3
256.08295	1.2
257.09186	4.4
259.09692	1.6
265.09573	4.2
267.11292	1.2
268.08432	2.6
269.09183	21.4
270.09830	6.0
273.12268	1.1
282.09961	1.1
283.07541	1.8
283.10739	46.1
284.10849	1.6
287.13937	2.6
293.09247	2.3
297.08490	1.0
297.12363	1.1
311.10223	26.7
312.10397	1.4
315.09793	2.7
315.13409	10.1
325.11697	2.2
329.11105	1.1
339.09641	6.9
343.12842	100.0
344.13123	3.1
353.11243	2.9
367.64493	1.0
371.12329	76.9
372.12473	2.6
389.13330	3.1
403.14844	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.8
55.05508	11.3
57.07058	9.0
67.05499	25.3
69.07059	16.3
71.04984	9.8
71.76136	6.8
78.60387	4.8
79.05491	24.8
81.07043	30.3
83.08614	9.5
85.34712	5.1
86.83702	5.2
91.05475	39.2
93.07038	49.3
95.04951	13.7
95.08588	26.9
105.07022	77.8
107.08587	36.5
109.02854	5.7
109.06522	56.9
109.10139	16.3
115.05458	8.7
117.06982	27.2
119.08573	100.0
121.10131	23.3
123.08060	6.8
128.06248	10.2
129.06985	16.6
131.08568	52.9
133.10101	72.8
133.97032	4.9
135.08063	12.8
135.11682	19.8
141.07059	7.3
142.07780	27.8
143.08540	45.9
144.09369	4.9
145.10117	90.9
147.07988	5.4
147.11684	21.6
153.41301	5.0
155.08580	17.0
156.09335	21.8
157.10100	45.6
158.10907	8.2
159.11708	40.5
161.09642	6.1
165.06976	6.5
167.08574	7.3
169.10144	19.5
170.10915	11.9
171.11723	27.3
173.13228	33.2
175.14830	8.9
179.08640	6.9
180.09312	7.2
181.10107	12.4
182.10918	7.9
183.11719	16.6
185.13261	12.3
187.14861	37.2
193.10117	11.3
194.10901	12.2
195.11697	19.9
196.12329	7.1
197.13254	15.2
199.14854	15.2
201.12682	6.8
206.10944	8.6
207.11754	12.5
209.13144	27.5
211.14801	11.6
220.12355	7.1
221.13199	12.2
223.14772	10.1
233.13364	5.8
235.14720	5.9
237.16411	8.0
249.16272	5.3
258.26724	5.5
261.16339	6.2
263.18005	6.3
265.19443	12.1
277.19473	6.7
303.48718	5.4
383.27673	5.1
401.13565	7.8
401.18381	7.2
401.27969	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.5
53.63943	2.3
55.01859	8.9
55.05505	2.6
56.96564	2.1
57.03431	20.3
61.02921	31.4
65.03915	2.1
67.05206	1.9
67.05499	16.8
67.41085	1.9
69.03422	13.7
69.07056	8.6
70.06567	5.9
71.01337	9.6
71.04971	5.5
71.73455	2.8
72.08135	5.5
73.02910	13.6
79.05479	22.2
81.03410	100.0
81.07040	4.9
83.04960	6.2
84.08111	3.5
85.02901	32.7
86.09678	5.8
91.03956	14.0
91.05470	35.2
93.07036	19.2
95.01307	4.8
95.04956	46.5
95.08585	4.9
97.02879	25.7
97.06521	4.0
98.97576	3.4
99.04444	5.5
101.02367	5.7
103.03919	14.2
105.03347	2.0
105.07023	8.9
107.04929	10.7
107.08609	12.3
109.02859	16.8
115.03903	2.1
116.98601	3.1
117.07007	13.2
119.04915	4.2
119.08587	18.9
121.02880	2.3
121.06482	7.9
123.04421	58.8
123.76510	1.9
125.05995	2.5
127.03908	9.2
128.06226	3.7
129.06995	5.9
131.08490	4.8
133.06430	7.4
133.10062	5.5
135.04419	3.3
135.08031	23.9
137.02342	2.4
137.05975	2.9
137.09634	21.8
141.05356	2.2
143.07027	3.4
143.08530	7.6
145.04958	7.7
145.06442	5.0
147.04379	11.1
147.08043	9.9
149.06021	2.0
149.09584	7.9
151.11110	2.9
155.08502	2.0
159.08080	2.8
161.05931	3.8
161.09604	11.9
163.07533	15.4
165.05472	2.5
165.09097	26.8
167.07065	2.4
171.08061	5.5
173.05998	2.2
175.07582	2.4
177.09135	8.7
179.10686	12.8
181.08495	10.4
183.10138	3.2
185.09637	3.3
189.05478	5.4
189.09050	24.1
198.68939	2.1
203.10706	3.2
207.10135	46.1
213.08980	3.5
214.09077	2.2
219.01588	3.1
221.11761	2.6
225.11270	9.2
231.10101	11.0
237.02850	5.8
239.06035	3.0
239.12741	25.5
245.11674	11.4
249.11165	7.1
255.10184	3.6
261.11313	3.8
263.12756	2.4
273.11105	11.1
281.13828	33.4
291.12253	9.0
305.13843	2.3
319.36725	2.2
321.08176	3.3
323.14990	5.0
329.13779	3.3
347.14822	18.1
365.15839	7.7
383.16849	9.0
401.11563	17.9
401.17447	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
53.03937	9.7
55.01860	6.0
55.05499	6.1
57.03433	20.5
61.02906	4.1
63.02354	1.3
65.03925	1.9
67.05492	24.4
69.03423	35.1
69.07060	7.0
69.76377	3.3
69.76781	7.3
70.06592	8.7
71.01342	3.0
71.04980	7.0
72.08157	10.2
73.02906	4.4
78.38897	1.2
79.05491	10.3
81.03409	100.0
81.07040	5.9
82.03769	1.6
83.01350	1.8
83.04989	12.8
84.28777	1.3
85.02894	29.6
86.09696	12.2
87.04488	2.8
91.03935	2.7
91.05467	71.2
92.05814	1.6
93.06487	2.5
93.07036	26.3
95.04973	8.1
95.08598	24.9
97.02882	47.8
97.06528	2.7
99.04455	9.7
101.02362	3.3
103.03910	7.4
105.07045	6.4
107.04947	3.0
107.08578	2.8
109.02864	15.8
109.06519	1.9
109.10149	18.9
111.04429	5.3
117.06978	7.1
119.03366	1.3
119.08568	95.5
120.08903	2.8
121.06500	7.7
121.10133	5.9
123.04414	5.5
123.08070	2.9
125.09613	4.2
127.03895	16.2
128.06186	2.1
129.05441	7.2
129.06982	3.5
131.08575	2.4
135.04338	1.4
135.08054	3.9
137.09599	56.2
138.09940	2.7
143.07028	3.0
143.08519	1.6
145.04903	3.0
145.10071	1.5
147.08032	13.0
153.09076	7.5
159.11240	1.2
161.09549	1.4
163.07556	2.7
165.09102	71.3
166.09421	2.2
173.04433	2.2
177.08995	1.8
181.08524	3.5
183.06541	2.6
183.10150	47.8
184.10417	1.5
189.09087	3.7
199.09637	2.0
199.14468	2.5
201.07690	1.9
201.11241	5.0
203.13821	2.0
207.10278	2.5
215.95779	1.6
221.11667	11.5
222.12254	1.5
231.10097	2.2
239.12779	13.7
245.11790	2.6
257.13809	17.1
281.13712	2.4
303.10782	1.9
309.13306	3.3
323.15024	1.3
327.14362	3.2
365.15924	1.7
383.17007	5.6
401.18039	79.8
401.29016	2.6
402.18405	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	8.5
55.01857	25.2
55.05494	10.5
57.03418	15.0
59.04964	4.5
60.33823	4.1
61.02914	11.7
65.03923	6.2
67.05491	37.9
68.99772	10.6
69.03423	53.5
69.07052	11.0
70.06588	10.3
71.04973	8.4
71.74283	3.8
72.08150	11.9
73.02895	5.9
79.05482	44.4
81.03411	77.2
81.07047	80.9
83.04970	14.9
85.02897	41.3
85.06544	7.3
86.09697	23.5
87.00828	22.4
90.19030	4.2
91.05471	59.2
93.07030	61.7
94.07408	4.0
95.01328	8.1
95.04948	46.2
95.08601	26.9
97.02878	23.5
97.06509	18.7
99.04451	20.1
103.03927	17.8
103.05476	7.1
105.01856	11.9
105.07024	53.4
107.04932	12.3
107.08582	39.4
109.02887	11.3
109.06499	51.9
109.10149	20.1
111.04447	10.3
111.08080	8.1
115.03905	7.3
117.07017	14.2
119.08570	100.0
121.06496	14.0
121.10155	26.5
123.04419	91.7
123.08045	15.2
123.11689	5.4
124.04735	3.7
125.05969	8.0
127.03890	14.0
128.06244	4.5
129.01831	12.1
129.05521	6.9
129.06953	9.1
130.07770	8.5
131.04895	3.8
131.08543	16.0
133.06502	7.9
133.10110	23.3
135.04495	4.3
135.08066	11.7
135.11690	22.1
137.05962	8.7
137.09576	25.3
141.05428	10.9
141.06958	9.0
142.07770	9.8
143.08528	14.3
145.06422	5.0
145.10129	42.8
147.02876	8.0
147.04282	4.7
147.08054	14.0
147.11682	13.9
149.05965	7.8
149.09639	8.3
149.13240	7.1
151.07509	26.3
151.11176	14.6
153.12704	7.4
154.07800	4.4
155.06987	6.9
155.08508	4.7
157.10126	24.1
159.02856	7.6
159.08038	4.8
159.11699	31.5
161.09563	4.4
163.03926	14.3
163.07562	6.2
163.11154	11.0
165.09106	11.4
167.06956	9.0
168.09438	4.6
169.10083	10.4
171.11649	8.4
173.02322	14.4
173.09631	5.9
174.96886	6.8
175.11182	12.6
177.12723	7.6
179.07054	23.4
181.06432	4.5
183.11725	8.1
185.16545	8.0
187.03915	10.8
189.03964	9.7
189.12656	4.8
197.08047	10.7
197.13203	7.5
199.03925	8.6
201.09236	5.1
201.12732	9.4
207.11726	6.2
213.16177	4.1
215.09035	3.9
215.14230	7.4
219.13843	5.6
225.12773	11.7
239.10609	4.0
239.12755	10.3
243.13699	20.4
261.14859	11.4
283.09882	4.0
301.09186	5.9
309.11288	10.5
327.12204	6.9
345.13290	7.3
357.09113	6.8
383.15555	6.7
401.10324	5.7
401.16080	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1226
Annotation	Torosaflavone A
Peak:m/z	Relative Intensity
55.01862	1.4
55.05481	1.5
59.69510	0.7
61.02914	1.0
65.03952	1.0
67.05485	4.1
68.99777	1.1
69.03423	5.8
69.07073	1.7
70.06563	0.9
70.29553	2.0
70.29971	2.4
71.04967	0.9
79.05480	3.4
80.46857	0.8
80.85602	0.8
81.03412	5.0
81.07046	2.9
83.04945	0.9
85.02888	1.3
91.05479	4.5
93.03400	1.5
93.07034	3.4
95.04948	1.9
95.08598	3.1
97.02883	1.7
97.06510	4.2
105.07027	2.6
107.04961	2.5
107.08566	1.1
109.02864	1.3
109.10139	1.4
111.04449	1.2
119.04933	5.1
119.08566	2.9
121.02856	12.4
121.10156	1.0
123.04459	1.0
129.06947	1.4
131.04883	1.1
131.08537	1.0
135.04391	1.2
137.02338	0.9
137.09607	1.6
141.01845	1.9
145.02840	8.0
147.04399	3.2
153.01825	1.6
159.04398	1.8
163.03873	7.9
165.01826	17.5
165.05479	0.9
165.09064	1.0
166.07852	0.9
167.07085	1.1
173.02347	3.1
173.05992	0.8
175.03801	1.9
179.03358	9.1
181.04997	1.4
183.02882	10.4
185.05946	1.1
187.03918	3.3
191.03380	1.8
193.04919	1.5
197.04422	1.3
199.03911	1.5
201.05467	1.3
203.03401	2.5
207.02905	1.3
209.04361	1.7
215.06958	1.1
217.58376	0.9
221.04494	2.6
229.04944	4.0
255.06548	1.1
265.08582	1.9
267.06613	1.6
269.08044	1.1
270.05093	1.1
271.05972	20.1
279.06439	2.4
281.08133	3.7
283.05978	100.0
284.06335	5.2
293.08008	7.6
295.06030	4.7
295.09686	2.1
297.04221	3.1
297.07526	46.9
298.07895	1.2
303.06635	4.3
304.04562	1.2
307.06021	6.2
308.06714	2.4
309.07562	22.2
309.10873	1.6
310.07971	1.8
311.05780	1.3
311.09109	13.7
312.09491	1.4
321.07523	54.5
322.07870	2.8
323.09113	19.3
324.72186	0.9
327.08624	20.1
327.12393	1.8
337.10645	5.4
339.08606	36.7
340.08926	1.8
347.09070	7.0
365.10175	45.3
366.10440	1.7
383.11191	62.6
384.11502	3.2
401.11731	14.2
401.16226	2.8
401.22818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36559	1.0
53.03940	2.0
55.01870	6.3
55.05502	2.5
57.03427	16.5
59.04990	1.4
61.02609	1.3
61.02919	17.2
62.17054	1.0
62.31069	1.1
62.51945	1.1
69.03421	32.3
69.43027	1.2
69.43357	12.5
70.06576	1.6
71.01323	3.3
72.08136	2.1
73.02908	75.7
75.91983	1.2
81.03414	5.9
84.08089	1.2
85.02895	100.0
86.09660	1.3
87.04448	4.2
91.03929	4.0
97.02881	55.0
99.04433	3.9
103.03928	2.7
109.02862	8.6
111.04377	2.1
115.03923	30.8
116.70771	1.3
117.64097	1.0
124.52474	1.1
125.02370	1.2
127.03898	36.0
128.07037	1.2
133.03931	1.9
133.04948	36.2
145.04939	68.0
146.05324	1.1
147.04382	2.7
150.07574	4.0
150.35355	1.2
163.05988	27.0
182.15352	1.3
183.15790	1.3
210.14758	1.9
211.15190	3.3
217.06908	1.8
223.05899	5.2
241.06960	6.3
251.14845	4.7
259.08078	8.7
277.09204	1.6
295.10223	2.1
338.21451	1.8
400.26556	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
53.51572	1.3
55.01861	6.4
57.03433	16.8
59.04999	1.9
60.71753	1.4
61.02923	15.5
61.16999	1.4
69.03413	30.4
70.06556	1.6
71.01339	4.1
71.06251	4.0
71.08622	1.8
73.02907	80.0
79.05476	1.5
81.03412	7.2
85.02894	100.0
87.04445	3.9
91.03943	4.5
97.02880	49.9
97.67603	1.3
99.04420	3.9
99.71420	1.4
103.03925	3.2
109.02885	9.8
115.03923	22.7
127.03915	27.9
133.03958	1.8
133.04956	36.1
145.04939	58.0
163.05995	26.8
199.06000	1.6
204.95268	1.6
214.52422	1.4
217.77107	1.4
223.05949	6.1
241.07100	4.4
251.14886	3.8
259.08145	7.7
277.09033	2.2
295.10126	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01851	2.0
55.05498	2.3
56.96574	0.9
57.03151	1.9
57.03424	25.6
59.04977	1.7
61.02913	14.0
67.05506	1.4
69.03416	31.2
70.06583	5.6
71.01341	1.8
71.04985	1.9
71.74174	2.0
72.08138	17.0
73.02905	57.0
81.03386	7.6
81.07065	1.7
84.04475	1.0
84.08122	1.9
85.02889	100.0
86.03188	1.7
86.09688	5.9
87.04442	3.4
91.03960	5.3
91.05466	2.3
93.07014	1.4
93.36012	0.9
95.04971	1.8
97.02875	49.4
97.06481	1.1
99.04429	3.3
103.03941	1.9
105.07085	1.1
109.02858	8.4
110.07170	1.1
111.04433	1.1
115.03916	32.1
116.07085	1.7
120.08060	1.2
123.00797	1.2
123.80712	1.0
127.03894	32.5
128.04276	1.1
129.10162	1.2
132.06522	1.5
133.04944	8.1
136.07567	2.3
145.04932	61.4
150.07571	3.9
163.05992	23.0
171.14931	4.3
199.14447	2.9
203.13965	2.5
207.11330	1.2
215.07069	1.2
223.05968	3.5
238.10699	2.9
241.07053	3.0
251.14909	1.9
259.08151	2.3
295.10245	1.6
383.15341	1.4
400.15280	1.1
400.23163	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1464
Annotation	Difloxacin
Peak:m/z	Relative Intensity
54.96989	0.6
55.01865	0.9
55.05500	0.7
56.05027	0.5
56.96552	1.0
57.03416	1.2
66.23607	0.6
69.03426	5.5
69.94646	3.6
70.06569	1.8
71.01343	1.0
71.04996	0.5
71.08607	0.6
72.08141	1.6
73.02922	1.1
79.05472	0.7
81.03401	2.1
82.25036	0.5
83.04964	1.9
84.08132	1.0
85.02895	2.6
86.09721	0.8
94.04034	0.7
95.04906	0.7
97.02885	7.6
98.03211	0.9
98.20751	0.6
98.97605	1.4
99.04459	0.6
102.05511	1.0
107.04948	0.6
109.02920	0.7
111.04449	1.1
113.02388	0.6
116.98658	0.6
119.01888	1.8
119.03536	1.2
123.04387	0.7
123.05579	0.8
127.03909	0.9
131.01903	0.9
132.10100	0.6
136.06174	100.0
137.03003	0.7
137.04555	1.2
137.06546	1.7
139.03857	1.3
143.01862	1.1
145.03511	0.9
145.98669	0.5
148.06177	4.0
149.06953	4.6
152.05690	1.0
154.94205	0.6
155.01842	0.9
161.02948	1.2
166.07260	1.3
173.02983	1.7
176.05666	1.9
177.01109	0.7
178.07298	0.7
181.05920	1.9
185.02982	1.7
186.01741	0.7
186.96791	1.6
190.95418	0.7
191.02574	0.7
196.04544	0.7
197.02937	0.8
204.97867	0.9
216.03053	1.0
219.01935	1.0
220.08246	3.5
221.05045	0.8
226.22783	1.3
232.08321	1.0
238.09332	0.9
239.02133	0.6
244.08386	2.6
245.05174	5.3
248.07666	1.1
250.09448	1.8
251.09631	1.9
263.06293	0.6
268.10367	0.9
317.07501	0.7
334.11545	0.9
340.05368	0.8
352.12534	2.8
359.02969	0.9
364.12552	0.9
370.13589	2.5
382.13541	2.7
400.14618	65.3
401.14920	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.05508	1.8
55.83523	1.0
56.05034	1.3
57.03423	7.4
61.02908	3.4
69.03425	12.1
69.07053	1.5
70.06581	5.9
70.61400	3.1
71.08602	3.0
72.08151	3.7
73.02897	6.4
74.03233	1.0
75.04498	1.2
79.64536	0.9
81.03400	4.3
81.07059	1.1
84.04497	1.8
84.08124	2.3
85.02898	28.9
85.10175	1.2
86.03230	2.4
86.09689	6.1
87.04476	1.4
91.03941	2.0
91.05479	1.0
97.02882	13.4
99.04448	3.0
101.06026	1.6
102.05520	1.3
103.03967	2.4
103.05457	48.1
105.06995	1.1
106.05418	1.1
109.02854	3.3
115.03924	2.8
116.07115	1.3
117.05503	1.0
126.01188	1.1
127.03926	8.7
129.05481	2.7
129.10173	1.6
130.04115	1.6
131.04913	100.0
132.05228	2.1
133.04922	1.5
136.06157	3.0
145.04930	4.5
146.05260	1.4
147.06523	2.0
148.05174	11.4
160.05113	1.4
161.05986	3.3
163.07516	49.0
184.07365	1.5
188.05353	1.2
201.09146	2.0
218.16422	1.3
228.06525	2.0
237.02682	1.3
237.11131	1.6
250.09363	3.1
254.26688	1.0
263.83911	1.1
350.82764	1.1
361.84219	1.0
368.85440	1.1
399.16422	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1071
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
55.01855	1.7
55.05497	1.3
57.03417	1.7
59.10682	0.4
67.01860	2.4
67.05486	1.0
68.99783	4.4
69.03432	2.9
69.07049	1.6
70.44514	0.4
70.57395	1.7
79.05486	2.8
81.03405	0.9
81.07041	0.8
81.09461	0.6
83.04961	1.3
85.02865	0.8
91.05457	1.6
93.06976	0.6
95.04945	0.9
97.02866	1.6
97.06519	3.6
98.20806	0.6
103.05465	0.7
105.03332	0.5
105.07035	0.9
107.04955	0.5
109.02840	0.8
109.10130	0.6
111.00799	3.2
111.04433	0.6
115.05438	1.7
117.07011	1.0
119.08552	0.7
121.10102	0.5
123.04446	1.4
125.02374	0.7
126.97625	0.5
127.03897	1.5
128.06203	1.1
129.06995	1.3
131.08553	1.1
133.06493	1.2
136.06172	1.1
137.02306	1.9
137.06000	0.6
139.03882	1.4
141.06987	1.5
143.04890	1.0
143.08522	1.8
144.05618	0.5
145.06459	1.3
147.04362	1.7
147.07994	0.6
149.06007	0.6
151.03908	0.6
151.07571	0.6
152.06177	0.7
153.01811	100.0
153.06932	2.9
154.02126	1.7
155.03392	1.1
155.04874	1.0
155.08566	1.3
157.06496	1.0
159.04431	0.8
159.08018	1.0
160.05168	1.9
161.05963	4.5
163.03889	1.1
165.01825	4.2
168.05721	0.5
171.02846	1.3
171.04373	1.2
171.08076	1.5
173.05986	3.1
174.06729	1.1
175.03888	1.1
175.07545	2.8
176.04680	0.6
177.05469	0.6
179.03355	0.6
181.01306	1.0
181.06444	3.5
183.02827	0.8
183.04402	0.5
183.08017	1.3
184.05171	0.6
185.05930	0.5
186.03194	0.5
187.03931	1.3
187.07555	2.0
188.08295	0.8
189.05405	2.8
189.09071	2.3
191.03407	0.6
195.02818	0.5
195.08083	0.6
197.05930	1.2
199.07547	3.8
200.04654	1.4
201.05421	4.4
201.09164	1.9
203.03391	2.7
203.06953	2.1
205.08571	0.6
207.02852	0.6
209.05959	1.0
211.07500	1.2
212.04680	0.6
213.05412	1.6
214.06038	0.5
215.06981	2.3
216.04153	1.1
217.04990	3.6
217.08569	1.8
227.07037	5.4
229.05000	2.9
229.08571	6.1
230.05568	0.4
231.06421	2.1
237.05504	1.1
238.06219	0.6
241.05141	0.7
241.08611	0.6
242.05754	1.0
243.06528	1.4
245.04402	3.4
245.08064	3.4
250.06253	0.8
250.09329	0.7
253.04915	1.3
255.06462	10.0
256.07245	0.6
257.04416	1.2
258.05206	0.7
263.07001	0.5
265.05133	0.5
265.08713	0.6
266.05643	0.5
267.06580	0.5
269.04468	3.6
269.07669	0.8
270.05167	2.8
271.05988	2.4
273.04004	3.3
273.07562	17.4
274.04510	0.6
278.05792	0.7
279.06482	1.2
281.08026	1.1
282.05237	2.5
283.05893	1.2
285.03900	4.3
286.04724	0.5
287.05664	0.5
289.08618	0.7
292.07159	0.9
294.05234	0.9
295.05984	2.1
296.06702	1.1
297.04044	1.3
297.07538	1.3
298.04706	5.3
299.05472	5.0
299.08868	0.9
301.03473	3.6
302.04105	1.3
303.04904	2.3
306.05222	1.5
307.06226	0.6
307.09698	1.9
309.07501	4.0
310.04767	0.9
311.05478	3.7
311.09146	2.2
313.03378	11.1
313.07034	3.3
314.04025	0.7
315.04956	0.7
317.08047	0.9
320.06964	0.6
323.05591	2.0
324.06396	2.2
325.07062	4.1
325.10635	1.2
326.04163	2.2
326.07559	0.8
327.04956	6.2
327.08688	1.9
328.05627	0.6
334.04822	1.8
335.05661	0.9
335.09119	3.1
337.06937	3.4
338.07742	1.1
339.04956	0.8
339.08563	1.4
340.05753	1.7
342.07101	1.6
343.08203	2.1
348.06381	0.7
352.05692	1.0
353.06454	1.1
353.10187	4.9
355.08090	50.2
356.08450	2.2
363.08615	5.1
381.09656	18.8
382.10019	0.9
399.10727	57.1
400.10986	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56730	0.4
52.88456	0.4
55.01847	1.8
55.05494	0.9
57.03421	1.1
58.95154	0.5
64.50381	0.5
67.01858	2.5
67.05479	1.4
68.99781	4.8
69.03425	2.5
69.07041	1.0
70.06567	0.7
70.45293	1.9
71.08613	0.8
79.05447	1.6
81.03398	1.6
81.07027	1.3
83.04948	1.0
83.08631	0.6
85.02869	1.0
91.05440	1.6
91.32866	0.5
93.07032	0.9
95.01350	0.5
95.04936	1.1
95.08569	0.8
97.02877	2.0
97.06511	1.1
103.05434	1.0
105.07011	1.2
107.04907	0.9
109.02859	1.0
109.06520	0.6
111.00799	2.9
115.05432	1.2
116.06239	0.6
117.07057	0.9
122.04553	0.5
123.04401	1.9
127.03961	0.7
128.06187	1.4
129.06976	2.3
131.04886	1.1
131.08548	1.2
133.06442	0.7
137.02313	2.6
137.05934	0.9
139.03897	1.3
141.06961	1.4
143.08551	1.2
145.06450	2.4
145.10120	0.6
146.68132	0.6
147.04385	2.2
149.05981	0.8
153.01808	100.0
153.06931	3.6
154.02119	1.2
155.03386	1.2
155.04808	0.6
155.08560	1.2
157.06454	1.4
159.07951	0.6
160.05177	2.0
161.05954	4.6
161.62199	0.6
162.06699	0.5
163.03828	1.1
165.01823	4.6
165.06985	0.6
169.06563	1.0
171.02852	1.5
171.04305	0.6
171.08051	1.9
173.05925	3.8
173.09654	0.5
174.06683	0.7
175.03853	1.1
175.07544	3.2
177.05426	1.0
181.01280	1.0
181.06456	2.9
183.02859	1.1
183.04359	0.9
183.07985	1.2
185.05937	0.8
186.03090	0.9
187.03874	1.4
187.07487	2.1
188.08211	0.9
189.05461	3.7
189.06895	0.5
189.09067	3.0
193.05022	0.7
193.12221	0.5
197.06033	0.7
199.07480	3.1
200.04721	1.0
201.05466	4.6
201.09132	2.1
203.03424	2.6
203.07077	1.4
205.08627	0.9
207.02950	1.1
209.06000	1.2
211.07558	1.7
212.04602	0.8
213.05423	1.4
213.09048	0.6
215.03564	0.5
215.06970	2.4
216.04135	0.8
217.04971	2.1
217.08604	2.1
227.03348	0.8
227.06992	5.0
228.04100	0.6
229.04939	2.2
229.08554	5.8
231.06477	2.2
237.05450	1.7
239.06900	0.7
241.08551	0.7
242.05746	1.5
243.06465	1.4
245.04333	1.0
245.08028	3.2
250.06320	1.0
250.09354	0.6
251.07076	1.3
253.04935	1.7
255.06546	9.5
256.07184	0.6
257.04651	0.7
258.05356	0.7
265.04892	1.2
265.08466	0.6
266.05820	0.6
269.04462	4.5
269.08011	1.4
270.05161	3.7
271.06073	2.5
271.09341	0.5
273.04050	1.6
273.07547	15.0
279.06479	1.9
281.04361	0.9
281.08054	2.1
282.05209	2.1
283.05997	1.5
285.03876	3.1
292.07303	0.9
294.05658	0.6
295.05911	1.8
297.03912	2.2
297.07562	1.6
298.04694	5.9
299.05484	3.6
299.08798	0.9
301.03531	0.8
302.04187	0.9
303.04947	1.7
306.05255	1.0
307.06201	0.7
307.09644	2.0
309.07452	4.3
310.04639	1.2
311.05536	5.7
311.08853	1.1
313.03403	6.0
313.07047	1.3
315.08466	0.8
317.08005	0.9
320.06631	1.2
323.05447	2.3
324.06253	2.3
325.06995	3.3
325.10538	0.9
326.04135	1.5
326.07675	1.1
327.04950	6.5
327.08652	1.8
334.04620	1.3
335.05350	1.2
335.09091	3.5
337.07025	3.5
339.04849	2.2
339.08395	1.3
340.05725	1.4
342.07315	1.3
353.06366	0.9
353.10181	5.0
355.08084	71.6
356.08511	3.7
363.08603	4.9
381.09644	20.5
382.09818	1.2
399.10745	43.6
400.11032	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66761	10.3
55.05506	15.1
56.96565	11.3
67.35223	11.7
70.06588	20.9
71.08626	19.3
71.40847	26.5
83.04974	16.1
85.02877	16.2
85.10168	17.2
86.09701	17.3
97.02881	28.8
98.97564	33.1
99.97108	12.8
100.53761	10.7
101.06024	33.7
116.98597	26.7
128.98506	16.7
129.05429	28.2
130.41498	11.9
131.97845	11.6
136.06178	33.4
146.99663	13.9
147.06467	33.8
189.00812	11.5
198.02000	13.2
219.01648	16.8
237.02852	39.0
250.09351	26.9
255.05292	17.3
339.07776	12.8
357.08328	24.0
399.10049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97882	4.3
55.05499	4.2
56.05019	16.7
56.96548	11.9
57.07087	4.6
61.01132	5.2
69.03085	3.9
69.03421	16.8
70.06574	7.5
70.73588	10.3
70.94949	4.5
71.08617	10.0
74.02413	5.3
74.06055	6.1
77.38680	4.3
84.08128	5.5
85.02890	11.4
85.10158	6.2
92.57703	4.2
97.02886	72.5
98.97575	9.0
101.05992	7.4
102.05524	22.4
105.95808	4.2
111.04420	5.3
116.98615	7.0
119.01918	5.5
127.03891	4.5
128.98598	8.4
129.05443	10.9
134.50325	4.0
136.06175	88.3
137.05963	7.1
143.18733	4.0
146.99602	5.0
147.06409	8.2
161.02876	6.5
173.02946	5.9
195.05031	7.2
217.00423	5.2
219.01648	5.2
221.05063	10.8
237.02797	14.7
237.06030	6.1
244.04352	7.4
250.06827	6.4
250.09338	82.1
250.13182	4.5
264.09073	4.8
289.02448	9.6
298.09668	15.0
299.00955	9.4
317.02097	29.9
321.08261	4.8
339.05237	4.8
348.06799	6.5
357.06723	5.1
381.10474	5.9
399.02362	7.0
399.10300	100.0
400.14740	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19317	6.5
56.05025	16.4
57.23163	6.3
69.03427	10.0
70.19077	30.3
94.92992	10.0
97.02878	81.9
102.05519	33.7
112.89590	16.4
114.89354	7.5
136.06177	99.1
226.86749	16.6
228.05606	10.9
248.89636	30.0
250.09375	86.8
298.09647	10.4
399.10471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	13.0
67.50150	7.6
69.80569	42.6
69.80988	16.1
70.06567	9.8
71.08609	16.2
73.95922	9.4
77.90833	9.8
97.02874	36.2
98.97574	26.9
102.05513	12.1
111.04417	22.1
116.98576	23.6
128.98573	12.0
129.05489	14.3
132.54121	9.2
136.06155	58.7
210.01888	14.8
237.02763	32.5
246.57788	11.4
250.09302	44.9
268.10391	15.3
273.88535	9.4
399.10818	100.0
417.10513	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.6
56.14701	0.4
57.07059	0.9
62.06079	1.1
67.05474	2.1
69.03415	0.6
69.07061	2.8
70.06576	1.0
71.08623	6.3
71.60561	0.4
72.08121	1.9
79.05474	2.1
81.03419	0.6
81.07056	3.0
83.04948	0.8
83.08600	1.2
84.08141	1.1
86.06065	2.7
86.09685	0.5
91.05440	0.8
93.07018	1.8
95.04969	0.7
95.08581	1.9
96.08120	3.2
97.06504	1.0
97.10136	1.2
98.06020	0.7
98.09669	3.3
99.08092	2.6
107.08556	0.9
108.08110	1.8
109.10145	1.2
110.09612	0.6
116.09938	1.0
116.10721	15.2
116.11544	0.7
119.08516	0.6
121.10108	1.9
122.09645	1.4
122.37058	0.5
126.09145	0.5
126.87772	0.5
133.10167	0.5
138.09076	0.5
139.11168	0.7
140.10701	0.5
143.10657	1.6
143.21828	0.5
154.15904	3.1
166.15944	2.6
168.17490	0.9
171.86522	0.5
178.15901	1.3
196.16939	8.8
210.14890	0.8
211.13332	0.7
214.18001	100.0
215.18332	2.6
229.14236	2.5
256.26300	1.9
261.87793	0.5
265.77100	0.5
282.20676	4.1
300.21646	6.0
313.03391	0.6
318.30005	3.6
370.58652	0.5
380.27948	1.5
398.24130	55.9
398.28848	4.5
399.10818	2.5
399.15820	0.6
399.24661	4.1
409.51859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16479	1.6
53.03934	2.6
55.01856	4.1
55.05489	6.0
57.07052	4.7
67.05485	9.5
69.07051	6.8
69.98318	3.9
69.98733	6.6
79.05473	11.0
79.13900	1.9
81.03371	2.4
81.07033	7.3
83.04969	2.7
83.08599	4.3
85.79853	1.7
91.05463	10.7
93.07018	7.8
94.06539	3.3
95.04945	5.8
95.08595	3.9
99.08089	2.1
103.05439	1.8
105.07021	9.4
106.06539	3.4
107.04961	2.1
107.08562	4.5
108.08105	2.7
108.22739	1.7
109.10159	2.0
115.05450	1.9
117.07001	6.1
119.04946	1.9
119.08550	4.1
120.08044	3.5
123.08086	1.9
128.06201	3.6
129.07004	8.8
129.07896	1.6
131.08530	6.4
132.08061	3.2
133.06419	2.0
133.10121	3.4
136.07568	2.8
141.06976	3.2
142.07729	3.1
143.08519	8.0
144.08035	2.7
145.06505	2.1
145.10088	4.2
146.25851	1.8
147.07971	3.5
154.97371	1.6
155.08521	3.3
157.10089	5.4
158.09625	3.1
159.08018	2.6
160.07584	2.1
160.11200	2.2
165.06998	2.8
165.09161	1.9
166.15820	2.5
167.08521	4.9
169.10121	4.0
170.09579	1.9
171.08037	3.2
171.11717	2.8
172.07527	2.9
173.09624	2.1
179.08574	3.0
181.10124	2.5
183.07961	2.3
183.10362	2.3
185.09607	2.4
186.09094	6.1
188.10637	3.3
195.11714	3.4
196.11160	2.1
197.09560	2.1
198.12682	2.5
199.11217	3.0
200.10692	4.9
202.12242	2.2
209.13266	2.4
212.14314	3.1
212.94946	1.6
213.12700	2.2
216.13742	4.5
224.14447	2.7
240.13829	3.2
241.16571	1.8
244.13313	3.7
256.09775	7.4
256.12900	1.9
266.19159	2.1
268.20480	3.6
282.21991	2.1
284.20215	2.9
286.21637	4.6
300.23209	14.1
310.25235	5.6
311.23743	6.9
314.21024	3.7
326.24680	3.3
328.22794	2.6
328.26279	19.0
338.24609	10.5
339.23120	31.9
340.23428	2.1
346.77481	1.7
356.22433	4.0
356.25797	100.0
357.25766	5.3
370.27386	2.5
380.25830	4.5
398.26846	88.0
398.43436	3.5
399.27072	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91487	3.6
53.03930	4.3
55.05500	5.6
56.79654	3.9
69.03415	16.1
69.07053	4.5
70.06567	20.4
71.04979	4.7
71.74310	5.8
81.03402	18.4
84.08130	6.3
85.02891	74.9
86.09690	7.8
91.05447	6.1
93.07024	8.1
95.04932	5.5
97.02891	28.7
97.06507	8.8
99.04446	37.4
103.03921	78.2
105.06985	8.7
109.02872	18.0
121.10138	5.6
127.03894	100.0
132.08073	4.1
136.06187	8.3
145.04938	63.0
163.05995	53.6
177.05403	8.5
187.05910	6.8
190.82008	3.8
195.06514	9.3
250.09381	5.6
271.08182	9.0
283.05972	6.6
284.06415	20.2
307.10239	8.4
355.08078	9.5
362.07477	4.4
380.08481	9.0
398.09320	6.6
398.32010	4.5
399.10388	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
53.46151	1.7
55.01859	8.1
57.03432	17.2
61.02912	13.1
67.05492	2.1
69.03419	36.2
69.07063	28.6
69.67606	10.7
69.68021	4.3
70.06564	2.9
71.01339	5.7
73.02908	85.7
75.37129	1.7
79.05518	1.8
81.03400	7.7
81.07059	3.2
84.04492	2.3
84.08154	2.1
85.02892	100.0
86.09680	5.3
87.04452	5.7
91.03920	4.3
91.05472	2.0
93.07034	2.2
95.08570	2.8
97.02879	66.4
99.04421	5.8
103.03926	4.0
103.79015	1.8
109.02849	10.0
111.08083	2.7
115.03918	31.9
123.87004	2.4
127.03896	33.5
133.04956	41.7
145.04945	59.5
146.05190	2.0
147.04405	3.4
163.05983	30.3
167.39769	1.8
183.10074	2.0
201.11385	2.5
213.11174	2.5
213.57896	1.8
216.00174	2.1
217.07080	3.1
223.06012	4.9
231.12378	4.3
241.07018	8.4
241.09157	2.0
259.08105	19.6
262.86908	1.8
276.28183	1.8
277.09131	4.4
295.10205	6.9
309.20334	2.5
350.08176	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.0
55.05481	1.6
56.25317	1.4
56.82299	1.3
57.03428	33.7
59.04984	1.7
61.02919	15.6
62.00736	1.2
64.38253	1.5
66.80054	1.4
67.05468	2.0
67.51652	1.2
69.03422	38.2
69.07058	37.8
70.06574	5.9
70.09522	8.6
71.01344	4.1
71.04967	2.6
72.08133	1.5
73.02905	84.2
79.05464	1.5
81.03396	7.7
81.07045	5.0
84.04494	2.8
84.08119	4.0
85.02892	100.0
86.09705	4.1
87.04446	5.1
87.08087	1.9
91.03941	6.5
91.05489	2.1
93.07039	2.3
95.04964	2.3
95.08580	3.3
97.02881	69.5
98.03204	1.5
98.05994	1.5
99.04432	5.7
103.03943	2.2
103.05448	3.5
105.07037	2.5
109.02872	9.3
111.04485	1.7
111.08065	5.3
115.03919	47.4
119.08620	1.5
127.03897	35.2
129.10228	2.1
131.04929	5.7
131.08505	1.5
132.06485	2.2
132.51373	1.3
133.04939	23.2
136.06210	2.0
137.09576	2.6
145.04927	55.8
149.09599	2.4
150.07579	3.3
153.09114	2.6
163.03932	2.1
163.05986	32.5
163.07353	2.3
165.09160	3.2
174.10732	1.3
177.09116	2.7
183.10121	3.3
188.07030	1.6
193.05011	2.0
195.10143	3.8
198.44669	1.6
199.06163	1.7
201.11179	6.7
213.11241	5.4
223.06017	6.1
231.12280	2.0
241.06982	7.6
259.08093	10.8
290.31088	1.7
295.10223	6.1
398.13803	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34180	1.1
56.47010	1.3
57.03409	1.4
69.03402	1.7
69.74249	10.0
70.06566	4.4
72.08125	2.5
79.05470	1.3
81.03426	1.4
84.08115	2.7
85.02894	3.5
86.09705	2.8
88.79874	1.2
89.03909	4.4
91.05459	3.4
95.01311	5.4
95.04931	1.5
96.05705	1.2
97.02882	10.6
97.06540	1.7
99.04395	1.6
100.11205	3.0
103.03904	3.4
113.02338	4.3
117.03355	12.4
123.00748	7.9
125.57610	1.3
127.03917	3.7
135.04402	3.2
137.05937	1.6
137.09660	1.3
139.03922	1.5
141.01825	3.6
143.03381	2.8
145.02821	39.9
149.05966	6.0
162.03151	1.3
162.05554	1.2
163.03853	3.6
169.01265	3.0
169.94435	1.4
177.05437	100.0
178.05804	2.3
182.15352	1.3
186.05539	1.6
187.02246	1.8
195.06496	62.1
197.11720	2.0
207.06509	3.7
208.04338	2.8
210.14757	1.7
259.35312	1.4
296.95840	1.3
343.73624	1.5
398.20496	2.4
398.32529	2.1
412.73810	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0217
Annotation	Tamarixetin 3-O-sulfate
Peak:m/z	Relative Intensity
55.01860	0.3
55.93895	0.3
56.03523	0.3
65.03912	0.6
68.99789	0.6
69.03397	0.6
70.85738	1.0
79.05476	0.3
81.03404	0.5
85.02892	1.5
91.05470	5.9
92.02594	1.9
93.03381	1.4
95.04926	0.4
95.08602	0.5
97.02863	0.5
99.04434	0.6
103.03906	0.6
105.07008	0.7
109.02853	1.0
109.10123	0.4
121.02826	1.6
124.05174	0.5
126.03143	0.4
127.03909	1.5
127.13063	0.3
129.06886	0.3
131.04915	0.3
135.08084	0.4
137.02299	0.7
137.05896	0.5
139.03879	1.3
144.07983	0.3
145.04807	0.4
151.03876	1.8
153.01808	12.5
153.03078	0.6
161.09541	0.3
165.01830	1.2
166.02486	0.5
173.06038	0.3
189.05484	0.7
190.06187	0.3
200.04601	0.4
201.05440	1.1
203.03345	1.0
217.04926	3.9
218.05803	0.7
228.04150	3.0
229.04942	5.1
230.05409	0.5
231.02797	0.8
238.73576	0.4
243.06383	0.3
245.04376	6.7
246.05124	2.1
252.36652	0.3
256.03696	0.5
257.04370	3.4
258.05219	0.5
259.05719	0.7
260.03162	0.7
261.07449	0.3
269.04428	0.6
271.05957	0.9
273.03891	5.2
274.04672	4.6
284.03204	0.5
285.03903	6.0
287.05515	2.9
288.06158	1.3
289.06598	0.4
299.05658	0.5
300.02612	2.1
301.03366	4.6
302.04166	16.9
303.04388	1.0
315.04941	7.1
316.02902	0.7
316.05728	28.4
317.06509	100.0
318.03452	0.5
318.06885	4.6
377.00958	0.4
382.58038	0.3
392.03650	0.7
397.02243	2.5
397.10086	0.7
397.16476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.8
55.01857	4.9
55.05505	19.5
57.03423	11.7
57.07064	6.7
67.05496	93.2
69.03409	11.3
69.07055	19.3
70.19311	16.0
71.04973	7.2
78.23037	3.9
79.05488	50.2
81.03407	15.0
81.07047	100.0
83.04974	17.5
83.08614	16.4
85.02864	4.2
91.05466	33.8
93.06493	6.2
93.07033	66.2
95.04956	10.8
95.08593	44.8
97.02852	3.9
97.06494	5.6
97.10178	4.4
105.07014	27.7
107.04957	4.7
107.08575	36.4
109.06510	6.7
109.10145	45.8
111.08078	4.0
112.07744	3.0
117.01006	4.0
117.06998	8.8
119.08570	24.9
121.06496	10.5
121.10127	41.6
122.73486	3.5
123.08044	5.1
123.11695	6.0
129.06953	5.7
131.08556	19.7
133.10130	23.1
135.11685	12.4
137.09599	7.3
143.08548	5.9
145.06514	7.0
145.10091	12.4
147.04494	5.0
147.08018	13.7
147.11644	15.7
149.09567	10.4
149.13237	13.5
157.10152	5.9
159.11711	12.3
161.09634	31.3
161.13269	6.2
163.11104	3.6
163.14816	7.1
167.10699	6.8
169.10126	3.7
171.11710	6.0
173.11726	13.5
173.13167	5.9
175.01540	6.7
177.16365	5.6
183.11644	6.1
185.13306	3.9
187.14838	3.8
189.12788	16.3
189.16383	4.5
191.14438	6.6
203.14223	3.7
203.17949	9.0
231.17455	6.2
233.19014	6.7
243.21133	3.3
263.98660	3.4
272.28525	3.7
275.20044	6.3
291.19672	3.4
331.13055	6.1
377.08984	3.5
377.23096	10.2
377.31912	4.9
395.10617	6.0
395.24237	34.9
395.32669	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2423
Annotation	Arthrobotrisin A
Peak:m/z	Relative Intensity
51.12866	7.5
53.03933	9.8
55.01865	7.9
55.05494	33.6
57.03435	11.0
57.07062	11.1
65.03928	8.4
67.05495	70.1
69.03419	38.9
69.07055	24.6
71.04982	12.8
71.75449	6.5
71.75822	11.0
79.05473	56.1
81.03418	35.7
81.07047	100.0
83.04960	17.8
83.08594	17.2
85.02865	12.9
91.05468	61.9
93.07030	65.6
95.04936	27.7
95.08602	65.2
97.02863	24.6
97.06460	7.0
105.07027	62.1
107.04975	12.2
107.08560	36.6
109.02874	9.4
109.06522	16.1
109.10156	36.0
111.08106	9.0
117.06989	26.9
119.08560	55.5
121.10143	41.1
123.11704	16.0
129.06955	19.6
131.08540	26.1
133.06470	8.9
133.10123	55.6
135.11671	32.4
137.09564	9.0
141.06946	7.7
143.08542	20.0
145.10136	36.3
147.08102	8.4
147.11674	51.5
149.09554	15.8
149.13269	16.3
155.08484	11.3
157.10107	21.3
159.11760	38.2
161.09650	10.4
161.13243	17.8
163.11188	15.6
169.10149	15.9
171.11691	26.1
173.13301	11.0
177.12720	16.9
183.11665	12.0
189.12741	9.5
191.14352	9.4
197.13222	12.4
199.14778	8.3
213.16376	16.4
215.17902	26.5
227.18105	8.5
229.19478	7.6
231.17398	21.4
231.34607	7.8
233.18944	24.6
249.18539	11.0
259.70132	7.7
275.20016	28.8
341.21118	29.1
359.22092	44.2
377.23175	36.3
395.24362	29.0
395.35693	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	11.6
55.01857	7.8
55.05503	30.6
57.03418	12.4
57.07053	3.7
58.02535	2.5
63.72966	2.2
67.05495	75.8
69.03416	28.0
69.07053	21.1
70.55704	5.7
70.56061	5.5
71.01341	3.1
71.04975	10.6
71.08624	2.8
73.02888	5.8
73.06537	3.4
77.63638	2.3
78.55784	2.3
79.05484	78.3
81.03405	32.2
81.07047	100.0
83.04983	12.8
83.08603	13.3
85.02885	17.4
85.06512	8.3
91.04916	3.5
91.05476	66.6
93.07035	91.0
95.04961	28.4
95.08594	55.0
97.02873	10.6
97.06528	12.5
97.10131	3.2
98.20820	4.0
98.21367	2.7
99.04445	10.0
99.08062	8.3
103.03925	5.5
103.05445	4.8
105.07014	59.8
107.04954	7.1
107.08582	38.8
109.02862	4.1
109.06499	9.7
109.10147	31.7
111.04421	8.2
111.08067	8.4
115.03961	4.0
115.05434	4.0
117.06989	26.1
119.08576	41.8
120.08070	3.9
121.06479	9.2
121.10132	52.0
123.04416	2.9
123.08043	6.3
123.11670	6.6
125.05991	2.7
125.09609	4.3
127.03901	6.5
127.07545	3.6
128.06276	3.3
129.05505	3.9
129.06999	21.2
131.08556	36.8
133.06483	3.9
133.10110	47.9
135.08040	10.7
135.11662	28.1
137.09579	7.9
137.13261	3.3
139.11159	5.3
141.06961	7.2
143.08534	19.9
145.06471	5.2
145.08528	3.7
145.09023	3.4
145.10114	32.2
147.08052	5.9
147.11682	33.5
149.09578	11.2
149.13200	16.1
150.54869	2.7
151.07495	4.1
151.11153	5.3
153.09186	2.6
155.08539	6.4
157.06482	3.7
157.10114	17.4
159.08089	6.7
159.11624	20.7
161.09610	9.2
161.13219	7.5
163.11183	7.1
165.09001	2.9
167.10793	3.2
169.10133	9.1
171.07974	3.4
171.11714	18.7
173.09601	3.3
173.11858	3.7
173.13199	14.7
175.11203	7.0
177.12720	6.8
181.10063	3.4
183.11671	9.8
185.13283	8.4
187.09590	2.9
187.11165	8.7
187.14821	6.8
189.12743	4.8
189.16435	4.6
191.10817	3.6
193.12399	3.7
195.13786	2.8
197.13219	7.0
199.11212	5.2
199.14880	3.8
201.12569	2.8
201.16525	3.2
203.32896	2.6
207.11751	4.0
209.13200	3.4
211.11201	4.3
211.14832	4.2
213.12804	3.0
213.16367	10.2
215.17957	13.4
221.13393	3.4
225.16263	3.0
231.17339	17.1
233.19040	15.9
243.17505	3.1
245.18980	7.6
247.20490	2.6
249.18463	4.3
257.19022	5.0
261.18622	4.4
263.12051	4.0
263.20197	4.9
273.18683	4.8
275.20175	15.6
287.19919	2.8
291.19385	4.7
313.21719	2.9
323.20047	3.9
341.21194	13.7
359.22086	16.0
377.23169	19.4
395.24338	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	12.5
55.01866	14.0
55.05507	30.1
56.84822	2.2
57.03418	7.0
57.07047	4.5
61.02908	2.6
64.25738	2.1
65.03905	3.7
67.05493	69.6
69.03423	27.5
69.07066	12.9
70.08476	2.0
70.48226	3.4
70.48579	6.5
71.01349	3.9
71.04984	14.5
73.02919	8.5
76.82302	2.1
79.05483	100.0
80.05819	3.0
81.03410	34.3
81.07045	84.7
83.04973	6.8
83.08604	9.9
85.02896	7.1
85.06512	3.8
91.05469	44.7
93.07030	96.8
95.04961	16.4
95.08595	43.2
97.02879	56.5
97.06514	5.3
99.04444	43.4
99.08088	3.0
101.02364	3.1
105.04476	2.9
105.07014	31.0
107.08585	26.6
109.02875	19.0
109.06518	5.4
109.10139	28.0
111.04396	3.7
111.08069	3.0
113.09671	3.2
115.05464	2.9
117.06979	10.5
119.08560	26.7
121.06490	2.4
121.10125	83.8
121.10966	4.7
123.08031	4.2
123.11686	10.6
125.09615	4.4
127.03895	59.9
128.06226	2.6
129.07013	4.9
131.08540	21.8
133.06490	3.3
133.10098	28.8
135.08054	3.8
135.11656	19.5
137.09572	5.2
139.11150	2.8
143.08562	5.7
145.04967	6.2
145.06601	2.2
145.08551	3.0
145.10100	16.3
147.11668	16.1
149.09595	4.9
149.13232	9.0
151.11189	3.0
157.10092	8.8
159.11720	19.1
161.09586	4.1
161.13228	2.5
167.10558	2.6
169.10181	2.9
171.11691	5.2
173.09605	3.3
173.11818	2.3
173.13271	7.2
175.07576	2.7
177.12756	2.9
187.14685	3.3
197.13278	3.1
203.18112	3.4
211.14787	2.3
212.48535	2.1
213.16313	4.3
215.17934	22.1
217.12238	3.0
227.17822	2.6
231.17313	2.9
233.19002	13.9
329.20941	2.9
377.23077	4.4
395.24429	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	12.5
55.01866	14.0
55.05507	30.1
56.84822	2.2
57.03418	7.0
57.07047	4.5
61.02908	2.6
64.25738	2.1
65.03905	3.7
67.05493	69.6
69.03423	27.5
69.07066	12.9
70.08476	2.0
70.48226	3.4
70.48579	6.5
71.01349	3.9
71.04984	14.5
73.02919	8.5
76.82302	2.1
79.05483	100.0
80.05819	3.0
81.03410	34.3
81.07045	84.7
83.04973	6.8
83.08604	9.9
85.02896	7.1
85.06512	3.8
91.05469	44.7
93.07030	96.8
95.04961	16.4
95.08595	43.2
97.02879	56.5
97.06514	5.3
99.04444	43.4
99.08088	3.0
101.02364	3.1
105.04476	2.9
105.07014	31.0
107.08585	26.6
109.02875	19.0
109.06518	5.4
109.10139	28.0
111.04396	3.7
111.08069	3.0
113.09671	3.2
115.05464	2.9
117.06979	10.5
119.08560	26.7
121.06490	2.4
121.10125	83.8
121.10966	4.7
123.08031	4.2
123.11686	10.6
125.09615	4.4
127.03895	59.9
128.06226	2.6
129.07013	4.9
131.08540	21.8
133.06490	3.3
133.10098	28.8
135.08054	3.8
135.11656	19.5
137.09572	5.2
139.11150	2.8
143.08562	5.7
145.04967	6.2
145.06601	2.2
145.08551	3.0
145.10100	16.3
147.11668	16.1
149.09595	4.9
149.13232	9.0
151.11189	3.0
157.10092	8.8
159.11720	19.1
161.09586	4.1
161.13228	2.5
167.10558	2.6
169.10181	2.9
171.11691	5.2
173.09605	3.3
173.11818	2.3
173.13271	7.2
175.07576	2.7
177.12756	2.9
187.14685	3.3
197.13278	3.1
203.18112	3.4
211.14787	2.3
212.48535	2.1
213.16313	4.3
215.17934	22.1
217.12238	3.0
227.17822	2.6
231.17313	2.9
233.19002	13.9
329.20941	2.9
377.23077	4.4
395.24429	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	0.5
69.51757	3.9
81.03389	0.6
85.24024	0.5
93.07036	0.5
95.04988	0.5
95.59679	0.4
98.21416	0.9
107.08588	0.6
123.08092	0.5
133.10159	0.7
185.04187	5.3
217.04697	1.6
218.05492	1.1
232.07071	1.3
233.07828	16.8
235.58511	0.5
256.02496	0.4
274.10635	0.5
291.45462	0.5
380.10712	1.7
395.13092	100.0
396.13348	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.6
55.01862	6.5
55.05505	9.0
55.80316	1.1
57.03419	4.8
57.07042	1.9
61.02914	5.5
67.05497	7.4
68.99771	1.8
69.03416	33.9
69.06675	2.6
69.07057	44.5
69.47862	12.5
71.04974	4.9
73.02900	4.4
79.05483	2.5
81.03409	21.3
81.07047	8.5
83.08580	1.2
85.02892	100.0
85.06563	1.6
87.00816	36.9
87.04452	1.6
91.03951	2.2
91.05480	3.8
92.05791	1.4
93.07044	3.4
94.07308	1.4
95.04935	3.3
95.08598	4.0
97.02874	36.7
97.06517	3.1
97.10107	1.3
99.04436	12.5
99.82243	1.4
105.01847	77.6
105.07020	3.4
107.08561	2.8
108.04449	4.2
109.02863	24.0
109.06506	2.1
109.10144	2.3
111.11705	6.7
113.81237	1.2
115.03923	1.4
117.01817	1.9
117.06954	2.0
119.08555	3.3
120.08101	2.8
120.08887	1.7
121.10163	1.6
127.03896	73.8
129.01848	3.2
133.10081	2.3
135.08080	1.4
137.13293	1.3
143.08577	1.3
145.04941	40.8
147.02888	2.7
147.08009	1.3
151.11092	1.3
159.02829	11.7
159.09138	5.4
159.11502	1.2
166.08557	1.7
175.07530	1.6
176.07867	3.3
180.27515	1.1
187.08577	1.5
189.03909	4.2
189.09174	1.3
201.10229	2.6
213.03893	2.6
229.09709	2.1
231.04958	21.0
231.52557	1.3
249.06110	6.8
301.18079	1.7
302.18304	7.2
316.18359	1.9
376.21918	2.5
394.09979	2.4
394.22964	4.4
394.29971	1.5
394.34872	1.4
395.11060	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50027	2.1
55.01862	10.1
58.99583	17.2
60.00480	2.5
61.01144	3.6
62.99049	10.1
67.05500	6.2
67.81520	2.2
69.06682	3.8
69.07059	79.2
70.74411	7.8
72.08096	2.2
74.00662	14.3
76.02193	3.3
76.03992	3.8
78.09495	2.3
83.06078	3.5
84.04491	45.7
85.02917	2.9
86.99033	10.0
88.02199	10.2
93.07050	3.8
99.02678	2.4
99.05558	3.0
101.04242	16.4
108.88358	2.3
112.03944	12.1
116.01662	56.8
117.03690	18.2
119.05263	23.7
127.05715	5.3
129.06570	11.6
130.04088	4.5
130.04993	48.1
142.03224	3.4
144.01128	25.2
144.08377	5.5
145.06842	37.6
160.22391	2.2
162.02187	100.0
162.09465	8.8
167.17145	2.3
177.03249	3.3
191.07384	3.4
230.08420	35.5
231.23415	2.3
247.11238	4.8
248.09497	89.5
249.09833	3.2
265.12180	34.3
313.44888	2.6
319.13174	29.9
394.16455	2.5
394.34589	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	3.5
61.02875	2.1
68.86951	2.1
69.03419	3.0
70.06573	7.9
71.73012	3.3
81.03469	2.2
85.02895	10.2
85.22915	2.3
87.91232	2.5
91.05478	4.5
97.02874	4.6
107.04987	4.8
109.46352	2.6
119.04921	22.5
123.08030	2.9
127.03976	4.2
134.09599	2.4
135.04407	6.1
138.03078	5.1
147.04370	9.4
151.07497	14.1
153.05455	100.0
167.06967	6.8
179.07013	80.2
179.73151	2.9
180.07251	3.2
197.08067	68.2
215.09116	20.5
234.98944	4.3
247.62781	3.4
254.63596	2.4
394.34720	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.05500	11.6
57.07068	7.1
58.64923	1.1
65.03904	1.6
67.05495	20.5
69.07059	21.4
71.08611	2.0
71.75096	1.5
79.05474	11.5
81.03392	1.6
81.07046	55.4
83.08614	7.9
91.05462	14.4
93.07032	25.0
95.04958	5.2
95.08593	73.5
97.10159	5.2
105.07018	29.1
107.04946	1.6
107.08580	36.0
109.06516	1.2
109.10145	32.5
117.06999	5.2
119.07735	2.1
119.08572	33.3
121.10139	24.3
121.10992	2.4
123.11687	18.0
129.07013	3.9
131.08543	14.2
133.10107	20.5
135.11676	15.3
137.13235	20.6
142.07774	1.4
143.08542	11.2
145.10100	20.6
147.11670	14.5
149.13225	27.0
151.14780	2.1
156.09323	1.7
157.10132	9.4
158.10820	1.5
159.11650	19.8
160.11993	1.5
161.13223	9.8
163.14804	23.5
169.10123	1.8
171.11667	6.8
173.13242	11.1
175.14801	18.8
177.16347	15.0
185.13187	7.4
185.82286	1.2
187.14807	22.2
189.16362	15.1
191.17906	4.5
197.13165	1.4
199.14796	8.1
201.16347	15.8
203.17938	20.2
205.19461	2.8
213.16374	23.7
214.16782	1.4
215.17940	18.8
217.19484	11.2
219.20953	2.1
227.17961	9.9
229.19481	6.7
231.21054	4.1
241.19476	16.4
243.21033	11.9
245.22806	1.5
255.21043	22.5
256.21469	1.4
257.22620	5.2
269.22528	8.7
283.24356	3.0
297.25809	3.3
301.17841	2.9
317.68866	1.3
320.25980	1.5
323.27191	2.3
337.28738	2.4
393.35107	100.0
394.29504	7.1
394.35342	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18373	1.4
55.05490	6.3
57.03424	6.6
57.07066	36.2
67.05499	15.9
69.07056	8.9
70.35086	5.8
71.08624	23.8
79.05488	3.9
81.07044	19.1
83.08622	11.6
85.10188	14.4
91.05469	3.0
93.07015	3.3
95.04939	2.8
95.08595	26.7
97.10161	5.8
98.98454	71.0
105.07023	3.7
107.08560	3.3
109.06499	2.5
109.10149	14.2
111.11684	1.5
119.08576	2.0
121.10127	2.7
123.11677	6.2
131.08578	1.4
137.13205	1.9
143.08449	1.6
145.10107	2.4
155.01018	100.0
157.10130	1.4
159.11679	1.6
169.10104	1.7
173.01962	1.4
175.07530	2.3
220.62115	1.8
239.23688	7.7
329.58453	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.8
55.01864	4.0
55.05505	22.0
56.99622	2.5
57.03429	3.4
57.07069	28.3
58.56170	2.2
59.04985	3.0
60.27925	2.5
65.03918	4.4
66.42456	2.4
67.05492	53.3
69.03431	3.6
69.07063	27.4
70.10920	13.7
70.11282	4.5
71.04985	3.3
71.08625	15.7
77.03905	2.5
79.05029	3.4
79.05485	50.3
81.06596	4.9
81.07047	78.6
83.04973	7.1
83.08613	19.2
85.06530	3.7
85.10162	10.1
91.05465	54.4
91.89267	2.4
93.07032	85.4
95.04958	70.9
95.08594	78.0
97.06524	14.0
98.98454	39.2
103.05437	8.3
105.07018	100.0
107.08578	57.3
109.06481	19.5
109.10133	38.5
111.08085	3.8
115.05433	4.5
117.06990	25.8
119.08566	89.9
121.06484	21.9
121.10130	42.9
123.08083	8.0
123.11683	14.8
128.06204	11.9
129.06964	18.7
130.07808	14.1
131.08549	46.3
133.10107	65.6
135.00040	2.7
135.08032	7.5
135.11673	23.8
137.09636	2.9
137.13249	3.3
141.06956	6.3
142.07771	27.6
143.08557	40.6
144.09320	9.5
145.06512	4.9
145.10109	68.2
146.10580	4.1
147.08051	3.8
147.11671	24.6
149.09601	4.8
149.13242	4.8
155.01022	61.4
155.08534	17.3
156.09348	9.3
157.10100	52.5
158.10831	8.1
159.08028	5.6
159.11668	45.2
161.09593	16.2
161.13261	8.3
163.11111	3.6
165.06938	3.5
165.66968	2.5
167.08583	10.7
168.09314	7.8
169.10104	25.8
170.10886	6.9
171.11647	23.5
172.12373	3.9
173.09596	5.5
173.13225	23.2
175.11183	10.4
175.14819	19.6
179.08548	5.9
181.10060	14.5
182.10884	4.9
183.11652	22.7
185.13246	13.4
187.11174	10.2
187.14743	12.6
189.12779	4.1
192.09290	3.7
193.10089	5.8
194.10913	5.0
195.11713	12.8
196.12387	4.0
197.13228	16.7
199.14853	7.3
201.12752	3.4
201.16370	11.6
207.11610	4.7
209.13225	16.1
211.14816	11.1
213.16405	5.3
220.12503	4.3
221.13190	6.4
223.14752	7.0
225.16238	6.3
227.14404	3.9
233.13223	4.8
235.14789	8.9
237.16408	4.6
239.23685	6.6
253.15805	6.6
255.17279	3.2
259.14658	4.2
263.17905	3.3
281.18896	3.4
283.20300	2.9
375.26984	6.2
393.27835	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75774	1.5
51.84481	1.4
53.03931	6.4
55.01857	6.9
55.05501	13.4
55.50754	1.9
57.03419	6.1
65.03920	2.2
67.05495	49.6
69.03405	6.2
69.07067	14.0
70.69759	5.3
71.04979	4.1
76.11784	1.9
79.05486	33.6
81.03410	32.9
81.07046	66.4
83.04955	6.2
83.08614	8.5
85.02885	7.2
85.06530	2.9
91.05470	38.0
93.07037	24.2
95.04382	2.7
95.04955	31.1
95.08601	17.3
96.04545	1.8
97.02875	3.2
97.06537	9.1
97.10148	5.9
100.58457	1.9
105.07022	21.2
107.04939	18.9
107.08582	12.2
109.02842	3.8
109.06490	7.5
109.10130	26.2
111.04436	4.3
111.08086	5.4
115.05450	2.5
117.07011	9.7
119.05006	2.2
119.08575	25.4
121.06499	11.2
121.10136	5.4
123.04401	2.4
123.08050	6.7
125.09605	4.0
127.07551	3.5
127.40006	1.6
128.06192	2.6
129.06970	12.0
131.04875	3.2
131.08531	12.4
133.06506	8.6
133.10110	7.8
135.08040	13.3
135.11678	2.6
137.05917	2.6
137.09557	12.3
143.07016	3.0
143.08534	4.1
144.40266	1.7
145.06476	4.7
145.10146	8.5
147.08031	13.2
147.11638	4.4
149.09589	8.2
151.07516	3.3
153.09111	2.7
157.08896	1.9
157.10088	9.2
159.07999	4.7
159.11565	3.1
161.08327	1.8
161.09605	8.1
163.11029	2.3
165.09097	7.5
169.10074	3.6
171.08086	2.8
171.11636	4.5
173.11713	4.5
175.07524	49.5
175.11118	6.3
177.09088	7.9
179.10748	2.6
181.10104	1.9
185.09564	2.8
187.11131	4.1
189.09074	6.9
189.11171	4.9
193.12195	5.9
195.11696	2.8
199.11111	3.2
201.12820	1.9
203.10672	8.3
217.12218	3.2
237.16472	2.7
255.17438	2.7
264.47577	1.8
265.15881	2.2
273.18320	9.6
283.16840	8.8
301.17953	100.0
302.18259	3.4
319.18979	5.0
357.20685	2.4
375.21643	29.8
393.22702	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
53.31061	1.7
55.05506	8.6
57.07072	6.2
65.03931	2.4
66.54377	2.0
67.05499	13.4
69.07059	7.2
71.08631	3.8
79.05482	16.5
81.07049	31.0
83.04951	2.5
83.08620	3.7
85.06549	4.1
85.98394	2.0
91.05470	23.2
91.05951	2.2
93.07032	28.1
95.04952	35.7
95.08571	13.9
97.06512	4.5
103.05506	2.6
105.07012	41.2
107.08579	18.0
109.06496	9.8
109.10188	9.0
115.05445	2.4
117.06997	12.4
119.08563	29.9
119.09380	2.1
121.02863	2.3
121.06529	8.8
121.10152	17.3
123.08082	4.9
123.11767	3.8
123.51970	2.1
123.69370	2.0
128.06224	8.9
129.06990	10.0
130.07791	5.7
131.08548	15.9
133.10114	13.7
135.08073	7.0
135.11719	3.9
141.06984	3.6
142.07741	10.4
143.08543	23.3
145.10109	28.3
147.08052	5.7
147.11729	7.8
149.02321	30.9
149.03401	2.5
149.09697	3.1
150.40321	1.9
151.11263	2.1
153.07027	2.6
154.07782	2.6
155.08568	12.8
156.09373	7.4
157.10092	23.0
158.10930	2.7
159.08167	7.4
159.11673	10.4
161.09674	8.7
165.07008	2.2
167.03430	4.0
167.08638	5.9
168.09406	5.9
169.10100	16.8
170.10939	4.0
171.11653	18.9
173.09669	5.5
173.13318	8.7
175.11250	4.0
179.08569	9.2
180.09419	3.6
181.10092	10.1
182.10983	5.4
183.11630	14.7
185.09677	4.1
185.13277	6.8
187.11203	4.6
187.14796	4.6
191.08510	3.8
192.09383	2.6
193.10085	13.3
194.10950	7.4
195.11691	15.6
196.12495	3.1
197.09674	4.0
197.13231	12.1
199.11194	5.0
199.14944	5.6
205.10211	4.6
206.11060	5.8
207.11681	12.9
208.12514	5.6
209.13226	12.5
210.13933	2.6
211.11119	2.7
211.14851	6.0
213.12837	3.9
218.10974	2.2
219.11778	5.0
220.12462	4.2
221.13368	9.3
222.70168	2.2
223.11258	4.1
223.14929	6.3
225.12816	3.6
225.16365	3.0
227.14421	3.2
231.11719	3.5
232.12541	2.8
233.13365	5.5
234.14122	3.8
235.14906	8.9
237.12801	3.8
237.16397	2.6
239.14430	3.0
241.15875	3.2
243.11751	2.7
244.12483	2.4
245.13464	3.0
246.14096	3.8
247.14923	7.3
249.16455	8.4
251.14474	2.6
251.17987	4.1
253.15927	3.0
260.15689	2.7
261.16547	4.8
263.18005	3.3
265.15994	2.9
265.19748	3.7
267.17557	4.5
273.16528	3.3
274.17429	2.6
275.18030	4.4
279.17462	3.4
281.19113	2.8
282.19849	3.5
287.18024	2.9
288.18796	2.2
289.19339	2.5
291.17685	2.3
293.19083	5.1
297.18570	6.9
307.20737	2.4
317.19150	5.0
335.20215	5.6
345.25677	2.6
355.24338	2.0
373.25281	20.7
391.26077	100.0
392.26523	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21080	1.8
50.87563	1.9
53.03940	3.7
55.05503	15.3
57.03414	2.4
57.07061	7.4
59.63850	2.3
65.03931	4.9
67.05501	17.0
69.03410	3.6
69.07056	9.2
70.73220	4.2
70.73592	4.8
71.08622	2.3
79.05473	25.0
81.07047	39.3
83.04961	5.8
83.08630	4.2
83.76266	1.9
85.06535	4.1
91.05466	41.1
93.06494	3.5
93.07037	33.9
95.04951	41.7
95.08593	22.3
95.79652	2.2
97.06537	8.0
103.05470	5.8
105.07014	64.7
107.08573	21.8
109.06499	10.7
109.10117	14.1
114.51211	2.0
115.05457	4.2
117.07005	12.3
119.08562	56.7
121.06527	11.6
121.10130	26.4
123.08058	6.6
123.11708	3.0
128.06224	8.8
129.06960	16.4
129.10078	1.9
130.07755	9.4
131.08549	27.7
133.06532	3.1
133.10098	15.0
135.08035	5.6
135.11659	4.6
137.05995	2.2
141.06967	8.1
142.07788	15.3
143.08551	26.4
144.09280	5.9
145.06506	3.7
145.10110	49.1
146.07346	2.0
147.08026	9.3
147.11655	13.7
149.02333	19.3
149.09590	4.3
153.06944	5.0
155.08530	14.3
156.09319	11.1
157.10117	36.1
158.10896	2.6
159.08037	9.7
159.11664	18.3
161.09605	6.2
161.13235	3.9
165.06993	6.5
166.07817	4.8
167.08554	9.4
167.10696	2.9
168.09314	7.2
169.10115	21.5
170.10760	5.0
171.08000	4.2
171.11665	21.4
173.09625	6.5
173.13254	14.1
175.11111	5.0
177.12698	2.5
178.07710	2.5
179.08539	13.7
180.09383	5.8
181.10109	20.4
182.10918	6.3
183.11655	25.3
184.08896	2.4
184.12474	4.1
185.09608	5.8
185.13210	9.3
187.11131	4.6
187.14799	3.8
191.14319	8.4
192.09334	4.1
193.10085	16.5
194.10828	9.8
195.11682	18.5
196.12462	5.9
197.09648	2.6
197.13274	16.8
199.11140	5.7
199.14819	7.7
201.12752	3.9
203.08603	3.0
205.10161	5.6
206.10936	8.2
207.11615	20.3
208.12439	7.3
209.13213	19.2
210.14079	3.2
211.11253	2.8
211.14818	11.7
213.12787	5.9
215.14282	3.8
217.10103	4.5
217.15778	2.5
218.10986	2.8
219.11646	9.6
220.12366	5.7
221.13239	15.3
222.14021	3.9
223.11209	3.5
223.14783	12.1
225.12799	4.4
225.16367	5.5
227.14345	4.9
231.11682	6.0
232.12685	4.3
233.13272	11.0
233.15417	6.6
234.14079	4.0
235.11148	3.1
235.14697	10.4
236.15640	2.3
237.12746	4.1
237.16409	3.3
239.17873	2.5
243.11700	3.4
244.12495	2.6
245.13210	6.0
246.14114	4.7
247.14813	6.1
248.15334	2.9
249.16373	12.1
250.17010	3.4
251.14334	3.9
251.17944	3.9
253.15796	2.6
253.19890	2.5
254.11615	2.4
255.17462	3.0
259.14755	4.0
260.15421	3.5
261.16364	5.6
263.17950	7.2
264.18805	3.7
265.19543	3.3
267.17316	4.6
269.18958	4.9
271.20697	2.9
272.15546	2.7
273.16275	5.6
275.17932	5.0
277.19547	3.5
279.17392	5.8
281.18930	3.8
282.19702	9.0
284.15833	2.4
285.16165	2.4
289.19531	4.3
291.17490	4.0
293.18878	5.3
295.20547	4.0
297.18433	6.5
299.17694	2.5
307.20734	2.9
311.20264	3.6
317.18979	4.8
333.21860	2.6
335.19876	8.3
345.25970	2.8
355.24335	4.5
363.26880	4.7
373.25189	22.6
391.26254	100.0
392.26135	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	10.1
55.05239	1.5
55.05503	28.8
57.03433	8.0
57.07074	11.3
59.85612	1.6
67.05185	1.8
67.05500	22.6
69.07060	36.7
70.92941	2.9
70.93281	2.2
71.08626	7.5
79.05489	15.7
81.06603	2.0
81.07050	28.8
83.08613	29.8
85.05713	1.3
85.10153	2.4
91.05462	2.7
93.07030	17.3
95.04914	2.2
95.08604	19.6
95.92205	1.6
97.06503	9.2
97.10157	20.9
98.98457	96.7
99.08067	1.4
105.07004	3.8
107.08590	11.5
109.06483	1.7
109.10159	10.2
111.08060	6.1
111.11692	5.1
116.99478	3.4
117.06939	1.8
119.08575	5.1
121.10129	23.4
123.11674	6.0
125.09573	2.8
131.08580	2.4
133.10091	4.0
134.32582	1.5
135.11670	16.0
137.13199	4.1
145.10097	2.7
149.02319	15.9
149.13228	5.0
153.12634	1.4
155.01028	100.0
157.10205	1.7
163.14888	1.8
209.13216	1.7
219.21150	9.4
237.22148	22.7
391.26093	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1959
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03937	4.7
55.01858	11.5
55.05501	8.7
57.03428	28.5
57.07073	5.2
61.02920	77.4
63.48319	2.6
63.63376	2.4
65.03928	3.7
67.05496	71.3
69.03423	41.0
69.07052	6.1
70.06589	13.0
71.01319	3.2
71.04991	9.8
71.08620	9.1
71.74250	4.3
72.08141	4.0
73.02898	28.8
79.05480	14.3
81.03397	16.0
81.07046	13.2
81.25319	2.6
83.04969	9.0
84.08132	4.9
85.02890	82.9
86.09705	10.0
87.04486	3.9
88.85763	2.3
91.03945	46.4
91.05469	58.3
93.07025	47.1
95.04951	12.7
95.08595	83.7
97.02876	61.5
97.03465	4.7
97.06524	6.8
97.96123	2.6
98.00488	2.7
99.04444	10.8
101.02370	12.3
101.05982	3.0
103.03922	5.0
105.06992	4.4
107.08572	4.0
109.02862	10.4
109.06448	3.3
109.10142	39.7
111.04414	5.0
115.03926	6.6
117.05521	2.6
117.06986	5.0
119.01875	15.3
119.08569	40.4
120.08106	6.0
121.06473	2.6
121.10138	3.5
127.03893	24.7
129.05467	8.1
129.07050	2.6
130.06483	2.7
131.08476	3.7
133.10136	4.5
135.08026	3.7
137.02956	3.4
137.05971	5.7
137.09598	100.0
139.11076	2.7
143.01880	10.7
145.03479	3.1
145.04935	9.0
149.02316	56.4
155.10664	4.8
161.02890	17.3
161.09584	4.0
165.09026	2.7
167.03409	5.4
173.11797	3.1
183.06586	5.1
185.09541	3.2
201.07613	2.9
203.03978	3.8
211.13254	58.0
221.05078	8.8
229.09248	10.4
229.14355	34.1
243.56058	2.7
271.10220	5.3
285.11893	4.4
303.12888	9.1
313.11511	3.0
331.12668	4.9
373.10306	4.5
391.11371	5.3
391.19724	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1569
Annotation	Chidamide
Peak:m/z	Relative Intensity
56.94507	0.5
57.07063	0.8
70.06570	1.2
70.86652	0.6
70.87003	1.4
84.08115	1.4
85.02896	0.5
86.09663	0.8
91.05454	0.5
107.20192	0.5
113.46857	0.4
119.01865	0.7
122.39648	0.4
131.01859	0.9
145.03432	0.8
147.20459	0.5
149.02301	5.4
151.03905	1.0
157.03363	0.6
161.02921	0.6
167.03336	0.6
173.02943	1.0
175.04460	0.5
181.01271	0.5
252.54211	0.5
259.11438	1.7
265.54639	0.6
277.11295	0.6
289.07010	0.6
305.40674	0.5
345.06113	2.5
373.05487	1.4
388.42780	0.6
391.15671	100.0
392.15881	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05009	0.4
57.07062	0.8
60.04512	0.4
63.62507	0.3
69.07047	0.4
70.06583	2.7
71.04955	0.4
71.08605	0.8
71.26037	0.5
71.26364	0.5
72.08146	0.8
73.02929	0.4
77.56763	0.3
81.07034	0.4
84.08128	1.3
85.02890	1.2
86.09702	2.5
94.38149	0.3
97.02908	0.4
99.04390	0.4
103.59559	0.3
104.05319	0.5
113.41375	0.3
119.01931	0.8
121.06521	0.4
124.07571	0.5
127.03922	0.4
129.10254	0.6
131.02029	0.5
133.03380	0.4
137.05933	0.9
145.03445	1.0
149.02316	7.3
150.05904	0.3
155.01866	1.0
157.03532	0.4
161.03006	0.4
167.03329	0.7
167.07001	0.7
173.02933	0.7
175.04539	0.6
201.61514	0.4
242.14978	0.3
259.11618	1.0
273.11276	0.4
319.12463	0.6
331.12408	0.8
333.13858	0.4
345.06235	0.8
391.15695	100.0
392.16083	3.4
397.91470	0.4
406.89191	0.3
407.71735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.3
55.05515	4.8
57.03442	7.7
57.07066	5.5
61.02919	9.3
67.05495	7.0
68.99794	18.1
69.03419	7.2
69.07050	3.9
71.01345	4.5
71.04939	2.9
71.08624	6.4
71.14153	6.3
71.93073	2.5
73.02903	3.9
79.05489	7.4
81.03403	8.3
81.07047	6.1
85.02898	44.6
87.00813	21.3
91.05492	12.4
93.07050	2.7
95.05006	3.6
95.08591	3.4
97.02889	58.9
97.06543	14.6
99.04463	5.1
103.05470	5.4
105.01855	4.2
105.07004	8.8
105.49699	2.6
107.08543	3.0
108.89721	2.3
111.04432	12.5
115.05434	13.1
117.07015	10.6
119.04928	8.6
119.08544	4.3
121.10096	2.3
123.04443	3.1
128.06241	10.1
129.01837	9.9
129.06979	21.5
131.04889	20.4
131.08553	6.6
133.06482	6.9
141.06950	18.1
142.07762	3.1
143.04944	6.1
143.08585	5.6
144.05731	3.6
145.06505	26.9
147.02872	3.8
147.04408	10.3
147.08096	4.7
149.02332	44.4
149.94142	2.8
151.03896	15.4
153.06964	8.8
154.07707	3.0
155.04893	8.9
155.08516	15.4
157.06471	27.6
159.04333	12.2
159.08072	11.5
160.80133	2.5
161.06001	13.1
165.05609	4.5
165.07002	13.3
167.03392	6.0
168.05685	3.5
169.06474	13.5
171.02969	4.9
171.04424	9.2
171.07997	6.0
172.05232	3.0
173.05943	19.7
173.09581	3.1
175.03896	17.8
175.07507	3.9
177.05519	7.7
178.06256	2.7
181.06476	5.8
183.04372	3.6
183.08014	25.9
185.05960	42.5
185.07556	3.5
187.07524	23.9
188.04678	5.0
189.03915	7.9
189.05424	37.0
191.07059	11.3
193.06569	3.7
195.08176	2.4
197.05933	9.8
199.03925	8.1
199.07515	8.0
200.04703	9.8
201.05455	74.3
201.09166	4.6
202.02553	3.5
202.06190	3.0
203.06978	23.2
204.04240	4.7
209.05962	3.0
211.07510	39.4
212.04741	5.2
213.05479	25.7
215.03569	5.9
215.07022	100.0
216.07690	6.7
217.08664	13.5
221.06062	6.0
223.07498	2.9
225.05534	5.8
226.06290	4.9
227.07060	20.9
228.04170	5.2
229.05072	3.4
229.08615	11.7
230.70198	2.8
231.06496	6.5
239.06973	16.2
241.04959	3.4
241.08597	47.0
242.08989	2.9
243.06569	31.5
245.08072	22.7
246.05304	4.4
251.07077	8.4
257.08096	10.5
259.09622	19.2
269.08078	68.0
287.09119	90.1
288.09598	2.8
305.10141	6.5
347.16846	3.1
373.09305	4.3
391.10632	18.3
391.22562	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44743	1.7
57.03414	2.2
62.20689	1.9
69.03407	3.1
70.31161	9.0
82.70143	1.9
85.02900	17.0
85.82249	2.0
91.05459	7.6
97.02893	3.6
109.02856	4.6
119.04922	13.7
123.04309	2.7
137.05901	5.0
147.04401	13.8
151.07515	7.0
155.03383	27.5
161.06270	2.0
163.03879	6.0
165.09068	5.9
170.04324	3.7
170.05734	70.6
179.07053	12.2
181.04950	7.2
183.06439	4.9
193.08357	2.3
196.07329	17.2
211.09625	100.0
212.09929	3.0
261.59955	2.4
317.06732	2.3
322.19534	2.1
346.16397	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.5
56.05030	10.2
57.03443	1.1
58.06590	5.0
60.57588	0.7
69.03419	1.0
70.06578	1.1
70.09121	4.2
72.08149	100.0
73.08499	1.1
74.06073	64.5
79.05454	0.7
84.04490	4.2
84.08150	2.4
85.02908	1.7
86.09694	5.2
97.02890	0.9
100.07627	1.8
101.07143	2.7
102.05597	1.2
106.42969	0.8
110.09650	0.9
118.08646	13.7
126.06458	0.8
127.03937	0.7
127.12325	1.3
128.10710	2.7
129.10237	2.7
138.09129	0.9
143.11789	45.5
144.12257	0.8
148.05992	0.8
155.11774	2.7
167.07014	1.1
171.11282	25.3
173.12843	14.4
183.11250	4.0
189.12315	1.7
201.12337	14.7
219.13380	74.2
220.13756	1.1
227.13933	1.7
228.14624	1.2
229.11934	1.7
254.15063	2.9
272.16003	11.8
300.15665	1.5
300.19199	4.2
325.22418	2.1
345.13132	1.2
366.68668	0.8
371.22876	9.1
389.18024	1.0
389.23956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.6
55.01860	11.2
55.05503	4.2
57.03415	2.5
59.04997	1.5
59.63554	1.5
61.02908	1.5
65.03926	4.1
66.48055	1.4
67.05524	3.5
69.03422	12.7
69.07032	3.1
70.06577	4.4
71.04979	8.5
71.74580	2.8
72.08153	3.8
75.71630	1.4
79.05479	4.7
80.73814	1.5
81.03396	5.3
81.07035	6.1
83.04967	3.6
84.04469	3.4
84.08112	3.3
85.02879	12.6
86.09689	14.8
86.61658	1.5
89.06017	6.5
91.05467	5.4
93.07021	5.3
95.04916	2.8
95.08595	5.3
97.02871	2.4
97.06511	5.4
99.04453	2.0
103.05441	6.7
105.07025	3.3
107.04919	4.3
107.08582	5.5
109.02818	3.3
109.10130	3.9
111.08122	1.9
119.08561	2.2
121.06478	3.7
121.10133	23.2
123.08071	2.8
125.09602	3.7
127.03891	5.3
129.05444	2.4
129.06987	5.6
129.10245	2.5
131.04919	6.6
131.08636	1.6
133.10092	2.8
137.05940	13.8
139.03828	3.3
139.11159	100.0
145.04961	5.5
145.06398	1.9
147.11603	2.2
149.05917	3.2
149.09569	1.9
157.06406	2.2
159.08032	1.5
160.93683	1.7
161.05927	2.9
163.07489	2.6
167.07074	9.0
170.09787	1.9
171.06514	3.0
173.12947	1.7
175.07503	3.1
177.05453	11.5
181.04927	36.5
182.05453	2.0
188.03401	4.2
189.07538	3.4
189.09099	3.9
191.14319	3.3
209.08086	14.2
209.15352	7.4
215.11746	3.9
217.08661	2.3
227.16408	6.2
235.09579	3.8
299.74240	1.7
371.15060	2.9
372.95703	1.7
389.14395	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1802
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.95436	1.2
53.03940	7.1
55.01855	5.5
55.05260	1.8
55.05502	19.8
57.03415	4.8
65.98921	1.2
67.05500	2.4
67.40901	1.3
69.03422	27.5
69.07068	2.8
70.80301	1.4
70.80634	2.8
70.95000	1.1
71.04989	10.6
73.02905	1.2
79.05479	4.0
81.03410	35.1
81.07027	5.6
81.48734	1.3
83.04953	3.2
83.08601	8.0
85.02896	61.4
91.05461	3.1
93.07020	3.8
95.04954	4.1
95.08582	5.0
97.02857	7.0
97.06495	3.4
99.03786	1.8
99.04442	29.0
99.08056	1.8
101.94393	1.2
103.03933	58.3
103.05434	2.1
105.07073	2.2
107.04932	2.7
107.08578	2.8
109.02161	2.0
109.02866	26.7
109.06523	1.5
111.04436	2.8
111.08075	9.2
115.03915	2.5
117.06938	1.6
119.08550	1.8
121.06460	3.0
123.08070	4.3
125.09621	2.5
127.03901	100.0
127.07511	1.6
129.06908	1.4
135.07999	7.2
137.05963	3.4
137.09570	2.2
139.07530	4.9
141.09100	7.1
145.04924	12.3
151.03880	1.5
151.07516	3.0
157.06435	2.1
163.06026	1.6
165.09084	2.3
167.07021	2.7
175.07468	1.5
177.05502	1.8
181.04979	8.1
187.05966	7.3
189.09151	1.6
191.10667	2.7
209.08002	3.7
209.11682	8.8
215.07002	1.6
215.14023	1.1
225.04219	1.5
227.12773	1.6
253.07118	2.6
260.45596	1.4
269.13730	7.6
271.08170	1.4
364.41309	1.2
389.15875	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	10.7
55.05503	3.1
56.05025	1.4
57.03418	3.2
59.04979	1.4
59.50492	1.3
65.03920	3.0
67.05506	4.3
69.03422	17.7
69.07063	3.4
69.99831	6.4
70.06584	3.1
71.05004	8.9
72.08132	3.7
79.05476	4.9
81.03397	3.7
81.07061	7.5
82.04182	2.0
83.04971	5.8
83.08591	2.8
84.04507	2.4
84.08134	5.4
85.02905	12.4
85.06529	2.1
86.09697	19.4
87.00806	1.5
89.06033	6.8
91.05464	6.2
93.07031	5.7
95.04963	4.4
95.08599	4.6
97.02889	3.4
97.06524	6.3
99.04443	2.4
103.05461	5.7
105.07026	3.5
107.04943	3.7
107.08585	3.5
109.02849	3.3
109.10188	3.1
111.04424	1.6
112.02228	1.4
117.07043	1.9
120.08099	3.5
121.06465	3.2
121.10136	20.5
123.04409	2.0
123.08040	4.3
125.06026	1.8
125.09622	4.2
127.03918	5.0
129.06985	3.8
129.10225	2.3
131.04913	4.6
131.08574	2.0
133.10112	3.3
135.11613	1.4
137.05963	12.5
137.09694	1.5
139.03938	1.5
139.11163	100.0
140.11562	1.9
145.04962	4.4
145.06450	1.5
147.08063	2.4
149.06003	2.2
149.09633	2.2
160.05202	2.0
163.07527	1.6
165.09074	2.7
167.07010	7.3
171.06546	2.2
173.12778	2.0
175.07539	3.6
177.05424	8.7
181.04947	30.2
188.03473	1.9
189.07536	4.4
189.09070	2.5
191.14334	2.7
192.14188	1.5
192.93857	1.8
209.08064	11.5
209.15451	8.3
215.11815	2.3
227.16515	8.0
235.09758	2.5
281.65857	1.4
324.05081	1.4
371.15103	4.0
389.13712	7.7
389.16196	10.4
390.15454	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	4.1
55.01855	23.3
55.05492	7.4
56.05025	5.1
65.03950	4.9
67.05495	7.3
69.03419	10.7
70.06582	17.1
71.74014	8.3
72.08153	21.5
74.06075	14.0
79.05468	8.4
81.03416	9.2
81.07043	15.8
84.04527	6.7
84.08139	26.1
85.02901	13.7
86.09692	23.3
91.05489	10.1
93.07030	5.6
94.04192	5.0
95.05010	4.8
97.02901	8.1
97.06559	5.5
103.05464	11.1
105.03402	13.2
105.07036	5.6
107.04906	4.8
111.04517	4.8
111.97914	4.4
113.07086	8.4
120.08078	7.5
121.06490	7.5
121.82225	4.2
127.03899	7.1
129.06985	8.6
129.10242	16.7
131.04919	20.8
133.02898	6.6
137.05968	44.1
149.05937	10.5
157.06514	8.1
161.05971	5.3
163.07533	12.5
165.05418	5.6
167.07053	16.7
175.07449	9.3
177.05504	17.8
179.07063	9.1
179.08516	8.6
181.04962	62.6
181.06407	6.8
183.06561	7.9
183.07997	5.8
187.07533	5.4
193.04921	25.4
195.08139	7.8
197.09656	5.5
199.07512	5.1
200.49646	4.5
207.08087	6.3
209.06184	7.5
209.08020	39.7
210.06795	6.1
211.07393	5.0
213.05461	6.5
219.08086	9.9
221.05965	9.5
223.07553	7.3
225.09097	18.6
226.06195	9.4
227.07036	15.9
233.14940	8.6
235.07533	14.8
237.05447	6.2
239.10666	8.6
240.07716	8.0
241.08479	8.8
247.07689	5.3
248.08302	7.1
249.05495	6.2
250.06128	5.4
251.06966	7.6
251.10698	5.9
252.07761	7.8
253.08667	20.6
255.06467	13.9
263.07056	6.6
264.07767	7.6
265.08603	5.4
266.05945	7.5
267.06848	5.7
267.10077	9.4
268.07373	7.2
268.10776	6.0
269.08017	7.8
270.08823	16.0
271.09842	6.3
275.07010	5.1
279.10199	17.0
280.07401	5.1
281.08069	33.0
282.08774	9.1
283.06140	15.1
283.09473	9.6
284.06693	5.2
285.07825	9.9
285.11206	14.3
286.04633	7.0
287.09341	6.6
295.09698	10.9
296.10165	7.5
297.07623	7.8
298.08371	6.3
301.07053	33.5
301.10379	8.9
302.07748	8.7
307.09598	14.4
309.11057	5.3
311.09482	7.4
311.12781	23.7
313.10666	60.4
314.11197	12.3
315.08691	19.3
317.10202	14.5
324.10156	5.5
325.10623	17.0
327.08676	6.6
327.12329	12.5
329.10263	9.2
330.10928	14.5
331.11746	4.8
339.12286	12.6
341.10004	9.9
343.90363	4.9
345.13275	100.0
346.13690	6.9
357.13367	21.3
359.14914	8.0
371.14893	47.3
374.13657	6.0
389.16040	45.4
390.20819	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1437
Annotation	Syringoxide
Peak:m/z	Relative Intensity
53.03941	1.6
53.30829	0.9
55.01859	1.7
57.03187	1.5
57.03429	15.5
61.02898	2.9
67.05491	1.1
68.25198	0.9
69.03422	5.8
70.06573	2.2
71.03680	2.3
71.04983	2.4
79.05485	2.0
81.03401	3.2
81.07050	2.4
84.08127	1.7
85.02895	15.8
85.06538	1.3
86.09686	2.6
87.52162	1.1
91.03938	1.2
91.05467	3.0
93.07038	5.1
95.04949	2.3
95.08593	1.9
97.02899	6.0
97.06538	1.1
98.40781	1.0
99.04438	5.1
102.25384	1.1
103.05447	2.6
105.07008	1.5
105.23286	1.1
107.04939	2.2
107.08547	1.9
109.02850	1.5
109.10129	1.8
111.04405	1.2
121.06498	4.4
121.10138	1.7
123.08003	1.2
127.03907	2.9
131.04887	3.0
135.08000	2.1
137.05920	2.0
137.09599	1.2
149.05952	5.8
151.03906	3.1
153.05495	5.0
159.04414	5.6
163.04002	1.5
163.07535	4.2
167.06984	1.5
177.05469	14.4
179.03394	10.7
181.08562	2.1
183.02844	3.0
191.06879	1.5
194.05737	41.0
194.07495	2.4
195.06078	1.5
209.08095	20.4
209.15240	1.9
218.44035	1.1
218.56903	0.9
227.09125	100.0
227.16434	3.7
228.09435	2.1
345.15005	2.2
357.10571	1.6
383.68161	1.1
389.14215	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.5
55.01865	7.1
55.05499	0.8
57.03439	5.6
60.04518	1.1
61.02915	5.5
62.64612	0.8
67.05479	1.3
68.99782	2.1
69.03424	33.7
69.55939	3.1
69.56368	4.3
70.06570	1.1
71.04980	4.3
72.08128	1.8
73.02911	6.4
74.25330	0.9
79.05470	1.6
81.02934	1.2
81.03409	22.2
81.07052	1.7
83.01302	1.2
85.02898	100.0
86.03215	1.2
86.09682	1.9
87.00819	37.6
91.03927	1.6
95.08631	0.9
97.02885	27.8
97.06551	0.9
98.20711	1.9
99.04448	14.1
103.03937	1.0
105.01857	64.6
105.07024	21.7
106.07323	1.1
107.08559	1.1
108.04447	3.6
109.02866	28.4
109.10154	0.9
109.80591	0.9
115.03952	1.1
117.01836	2.5
117.07032	1.1
119.08557	3.3
120.08888	1.6
123.08033	0.9
124.08402	1.3
126.05525	2.5
127.03902	70.5
128.04272	1.4
129.01836	3.6
137.05981	4.9
138.06291	2.1
145.04945	34.5
147.02859	2.8
147.08009	1.1
147.11699	4.3
148.12010	3.7
159.02885	14.4
165.12688	2.0
166.13072	3.3
173.09686	1.0
177.03963	1.0
181.04910	1.0
189.03944	3.4
207.13805	3.0
208.14099	6.0
213.03935	2.0
213.09149	2.4
225.14850	0.9
230.06685	1.5
231.04971	22.5
231.10080	1.4
248.07660	2.2
249.06026	7.7
329.06555	1.5
388.15298	1.9
388.20416	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2009
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01870	4.7
57.03433	4.9
67.05499	6.0
69.03425	12.8
70.06583	13.2
71.74217	4.5
72.08143	5.9
81.07049	5.3
84.04501	15.1
84.08118	4.4
85.02911	12.3
85.04807	7.8
86.09720	12.7
91.05479	4.1
93.07028	10.0
94.00581	4.0
95.08619	5.8
97.02878	7.1
99.04417	3.6
105.07059	6.0
107.08585	13.4
109.10152	9.3
122.03645	11.9
127.03941	3.9
133.10089	4.5
137.05968	100.0
137.09566	4.4
138.06311	5.0
138.09923	7.0
143.04987	6.0
147.11682	8.5
151.11189	13.4
163.11209	4.5
167.07037	12.0
181.04962	12.8
189.12709	5.4
207.13794	59.1
225.14854	17.7
313.06955	6.2
357.13242	10.1
359.12430	6.5
387.14365	26.0
387.19305	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2008
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
53.03934	1.3
55.01861	2.3
55.05499	2.1
56.96554	1.6
57.03420	4.0
57.07061	2.3
61.02916	2.3
66.93457	0.9
67.05494	5.9
69.03423	24.5
69.07050	4.3
69.84477	3.3
69.84891	2.1
70.06583	10.2
71.01346	1.0
71.04985	3.2
72.08147	5.3
72.88493	0.8
73.02892	2.1
76.02216	1.9
76.04004	1.4
78.11466	0.9
79.05483	3.2
79.54172	1.0
81.03402	6.5
81.07046	14.2
83.01306	1.0
83.04977	1.2
84.04494	6.8
84.08141	1.6
85.02894	100.0
85.06504	1.0
86.09695	20.8
87.04469	1.8
91.05474	3.7
93.07039	3.3
95.04942	2.3
95.08585	6.8
97.02859	7.8
99.04426	4.5
103.03926	1.6
105.07010	7.2
107.08595	5.4
109.02862	3.2
109.06502	4.1
109.10153	16.6
110.10513	1.2
111.04428	2.3
115.08629	1.2
117.07001	1.5
119.08553	8.0
121.06497	2.4
121.10125	6.3
123.08086	4.3
123.11691	69.4
124.12015	1.1
125.05973	51.5
127.03891	8.9
129.10211	1.7
130.04996	1.3
131.08554	2.7
133.06448	1.1
133.10091	1.7
135.08081	1.3
135.11681	1.9
137.05946	2.2
137.09622	1.6
138.09943	1.5
139.07532	8.2
143.08627	1.1
145.04935	2.2
145.10104	2.8
147.08022	3.2
147.11679	11.4
149.09619	8.7
151.07506	8.7
156.09372	1.9
161.13231	3.1
162.02158	0.9
163.11169	2.0
165.09065	1.8
165.12773	2.1
167.06995	1.2
167.10634	1.0
169.08601	1.1
171.11646	1.5
179.04848	1.0
179.14249	1.0
183.14844	1.0
187.07880	0.9
189.12729	12.6
199.17998	2.0
206.61273	1.0
207.13774	54.7
208.14221	1.4
225.14821	74.3
226.15273	1.7
249.14763	0.9
250.08615	1.8
251.09146	1.6
258.53445	1.0
313.07147	1.9
333.16885	7.1
341.11148	1.1
351.17957	13.6
352.18530	1.4
364.08090	2.3
369.19168	6.0
387.14993	2.9
387.20090	49.7
388.20233	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
53.03931	4.7
55.01858	3.4
55.05514	3.0
56.27241	1.4
56.96560	1.4
57.03419	3.3
57.07074	1.6
61.02902	3.2
67.05483	7.0
69.03416	22.7
69.07051	3.4
70.06579	4.8
70.09888	8.1
71.04976	6.1
72.08150	2.4
73.02898	3.0
79.05483	7.9
81.03418	8.8
81.07053	18.9
83.04946	3.2
84.04496	2.1
84.08116	2.4
85.02894	100.0
85.06512	1.8
86.09698	9.0
89.03907	2.4
91.03959	1.9
91.05468	5.9
93.07026	5.8
95.04980	3.5
95.08603	14.8
97.02879	11.5
99.04453	7.6
105.07001	15.9
107.08580	5.5
109.02882	4.3
109.06505	3.9
109.10143	29.9
111.04427	3.8
113.06013	1.9
113.89799	1.5
117.03396	2.9
117.06998	2.9
119.08572	14.3
121.06457	2.4
121.10134	12.0
123.08053	5.4
123.11691	88.2
124.04992	1.4
124.12031	2.1
125.05976	23.7
127.03901	13.6
131.08534	4.7
133.06465	3.6
133.10110	2.6
135.11612	1.5
137.05931	2.2
137.09651	1.5
139.07510	5.1
145.02808	4.2
145.04938	4.1
145.10104	5.6
146.11903	1.4
147.08029	3.8
147.11685	17.7
149.05945	1.8
149.09619	14.0
151.07520	15.9
161.13213	3.4
163.11180	3.1
165.12738	4.3
167.10651	3.4
169.08528	2.2
171.11610	2.3
177.05426	6.5
179.14285	2.1
183.77620	1.7
185.12901	1.5
189.12740	17.0
207.13795	62.8
212.81818	1.5
225.11407	1.7
225.14842	35.1
251.09161	2.4
269.10233	1.7
314.04407	1.4
333.16891	17.1
351.17963	26.9
369.14993	1.5
369.19073	8.0
387.15756	14.7
387.20190	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1432
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
51.02357	0.4
55.01842	1.0
55.05496	1.0
56.68811	0.4
60.80091	0.4
62.26168	0.4
64.39675	0.3
65.03925	1.4
67.05498	2.1
69.03398	0.4
69.07046	0.7
71.05002	0.4
71.74477	0.5
71.74864	0.4
78.04689	0.5
79.05464	2.1
81.03419	1.0
81.07034	1.6
82.04163	0.4
83.04972	0.4
85.02872	1.2
85.06505	0.5
91.05472	1.8
93.07002	0.6
94.04160	3.8
95.04945	0.9
95.08553	0.6
97.02884	0.4
97.06516	4.2
103.05428	1.9
105.03342	0.5
105.07027	0.9
107.04929	1.4
107.08540	0.4
108.02089	0.5
109.02862	0.4
109.06540	0.5
109.10142	0.6
110.03601	0.7
111.04421	0.7
115.05449	1.4
117.07014	1.9
118.04123	0.8
119.04946	0.6
119.08566	0.6
120.47416	0.4
121.10197	0.5
122.02784	0.7
122.03635	7.4
123.04412	0.8
124.05184	0.7
125.05998	0.9
128.81163	0.4
129.06976	0.6
131.04950	2.7
132.05688	0.5
133.02843	0.5
133.06493	0.6
135.04353	0.4
137.05956	100.0
138.03085	0.4
138.06302	2.6
142.02626	0.4
143.04895	3.2
145.06470	2.9
145.10126	0.5
147.08017	0.5
148.05170	2.2
149.05960	0.6
149.31709	0.4
149.33000	0.4
151.02650	0.5
151.03893	11.2
151.04999	0.8
151.07478	0.4
152.04419	0.5
153.05508	0.5
157.10136	0.4
161.05965	0.8
163.07513	2.9
164.81122	0.4
167.07016	10.0
171.06544	1.0
173.05957	3.5
175.07541	1.2
177.05534	0.5
179.08458	0.4
180.09384	0.4
181.04939	17.1
187.07520	0.6
191.07010	11.0
192.07359	0.4
193.08537	0.4
201.09297	0.4
203.06999	1.9
205.08566	2.2
208.07355	0.4
221.07866	0.5
221.56888	0.3
230.78722	0.4
233.08047	1.5
235.09547	2.4
241.08519	0.6
249.18498	0.8
259.09470	0.9
265.12039	0.4
275.10693	0.4
325.10443	0.4
331.82166	0.4
351.12137	0.8
355.11789	0.5
357.13269	14.4
358.13614	0.7
369.13242	0.6
387.14331	25.1
388.14481	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46072	0.1
51.02376	0.3
53.03940	0.8
55.01859	0.3
55.05494	0.7
57.03437	0.2
57.07065	0.2
59.18047	0.2
61.37566	0.2
65.03942	0.2
66.31172	0.1
67.05501	1.2
69.03425	0.3
69.07059	0.4
70.65024	0.6
77.03916	0.4
79.05486	5.8
81.03413	1.6
81.07056	1.0
83.04971	0.4
84.04438	0.2
89.03880	0.3
91.05475	1.1
93.07036	1.4
95.04971	1.9
95.08583	0.3
97.02870	0.3
97.06480	0.4
103.05470	2.7
105.07021	100.0
106.07346	2.1
106.21289	0.2
107.08575	0.4
109.06445	0.2
109.10160	0.7
114.66891	0.1
115.05434	0.2
117.07004	0.3
119.04944	1.8
119.08570	0.5
121.06498	0.4
121.10131	0.6
129.06947	0.2
131.04861	0.2
131.08566	0.4
133.02818	0.2
133.10135	0.7
137.05943	0.2
147.11601	0.3
149.09615	0.5
157.06546	0.3
157.10138	0.3
159.04434	0.6
159.11768	0.2
161.02312	0.7
163.03882	1.1
173.02327	1.2
175.01590	0.4
175.11159	0.2
185.06024	0.4
187.03911	1.3
193.12276	0.5
199.03954	0.6
201.05434	0.3
213.05507	1.4
223.00574	0.2
223.02756	0.2
225.05482	0.3
227.06972	0.2
250.93153	0.2
252.92270	0.2
267.13803	1.2
283.13266	0.4
293.11786	0.5
311.12796	0.8
311.16000	0.4
327.15952	0.4
331.13034	0.6
337.14316	0.9
355.15500	1.3
373.16522	0.2
385.66187	0.2
387.26431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	7.8
57.03425	14.2
59.04971	2.6
61.02913	17.5
61.44043	1.2
69.03417	29.5
69.21989	1.3
70.06574	1.7
70.79787	3.2
70.80116	1.5
71.01334	3.4
71.04961	2.5
73.02906	76.7
81.03394	5.0
85.02891	100.0
86.03222	1.6
87.04451	3.8
91.03934	4.2
91.08172	1.4
95.41034	1.2
97.02876	49.1
99.04457	3.7
103.03942	3.1
103.08778	1.1
109.02873	8.0
112.84290	1.5
115.03914	24.6
127.03887	25.1
133.04942	30.3
140.48683	1.2
145.04929	53.8
150.07576	2.3
163.05998	27.0
203.00500	1.6
209.43185	1.3
223.05992	4.4
237.13251	3.0
241.07085	5.8
259.08078	8.7
277.09055	2.1
295.10202	2.1
317.73792	1.2
389.13620	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01859	2.7
57.03159	1.6
57.03430	28.7
61.02917	15.3
69.03423	28.2
70.92212	2.9
71.01340	2.3
71.04971	1.5
73.02906	59.1
81.03406	3.9
81.19331	1.1
83.01325	1.1
85.02893	100.0
87.04453	3.4
87.91924	1.3
91.03932	5.9
95.52271	1.2
97.02879	43.1
99.04437	4.0
103.03906	1.4
109.02875	8.4
115.03915	34.9
127.03899	29.6
132.06555	2.2
133.04953	11.2
143.01031	1.1
145.04944	55.3
150.07588	2.6
163.06007	30.5
174.08089	1.3
200.94446	1.2
203.60605	1.4
223.06010	2.4
237.13284	4.3
241.07002	3.2
259.08026	1.6
295.10098	2.6
324.80328	1.3
356.39426	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	7.3
57.03428	14.2
59.04996	2.5
61.02922	13.6
69.03038	1.8
69.03419	35.6
70.06579	2.5
71.01346	2.9
71.04972	2.5
71.18602	2.3
71.59431	1.7
72.16459	1.2
73.02905	76.6
77.19860	1.2
81.03406	8.0
81.17531	1.2
84.08124	2.5
85.02891	100.0
86.09669	2.0
87.04443	4.3
91.03931	4.2
92.56442	1.3
97.02876	57.4
99.04446	5.8
103.03903	3.0
109.02859	9.6
110.57258	1.3
115.03917	25.7
127.03007	2.2
127.03907	30.4
130.81958	1.4
132.06526	2.0
133.04947	33.8
145.04935	50.5
158.21776	1.3
163.05989	17.0
165.67738	1.3
193.04936	1.8
217.07141	2.0
223.06000	6.2
237.13261	3.3
241.06984	6.9
259.08087	8.2
277.08990	1.5
293.11411	1.5
301.11740	2.2
343.12961	4.7
386.14859	1.6
387.12222	2.7
387.16583	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54564	3.2
55.05490	13.7
57.07058	12.8
59.04982	10.5
61.02933	3.9
67.05504	21.2
69.03401	7.1
69.07028	8.0
70.30272	2.9
71.04986	6.8
71.75312	5.0
78.41788	3.5
79.05478	17.5
81.03361	5.2
81.07051	24.4
83.04952	10.0
83.08613	7.7
85.02933	3.7
85.06514	11.3
87.04453	3.9
91.05462	40.7
93.07035	35.7
95.04975	17.9
95.08591	21.1
97.06532	20.2
98.26907	3.4
99.04392	6.7
103.42200	3.4
103.47579	4.4
105.07003	39.7
107.04948	4.8
107.08588	53.4
109.06508	22.1
109.10152	7.3
111.04400	6.2
111.08083	18.4
113.09606	4.2
117.07012	21.6
119.08553	53.4
121.06492	11.8
121.10140	17.8
123.08071	40.6
125.09620	4.3
129.06990	11.4
130.07747	10.4
131.08553	44.7
131.46967	3.5
133.06477	7.3
133.10138	21.7
133.10997	3.4
135.08014	15.6
135.11687	31.6
137.05968	29.3
137.09613	5.9
141.06877	4.8
142.07750	5.8
143.08534	14.1
144.09305	11.6
145.06470	7.2
145.10117	57.6
147.08009	18.9
147.11694	7.4
149.09549	20.9
151.07515	88.3
153.09096	4.9
155.08524	5.6
155.10606	5.9
156.09340	5.7
157.10089	17.0
158.07321	5.3
159.08055	27.4
159.11694	49.0
161.09570	9.1
161.13187	3.8
162.10350	7.8
163.11171	38.2
165.09117	19.1
169.10056	8.3
171.11685	12.7
172.08810	5.6
173.09581	9.9
173.13190	7.1
175.11214	4.7
177.09138	23.9
177.12729	23.1
179.08694	4.1
181.10143	6.0
181.12134	4.3
185.09515	4.3
187.11148	32.6
189.12756	19.5
191.14229	5.9
195.11691	7.8
197.13202	8.2
199.11133	11.5
201.12701	5.9
203.14354	5.7
205.12228	61.3
207.13774	9.1
209.13231	6.0
209.15276	5.8
213.12680	5.9
215.14279	4.5
217.12206	5.7
221.15309	12.3
225.12589	3.7
229.12181	6.7
233.15332	6.3
246.16090	7.0
247.16830	4.5
286.19159	20.3
367.22546	10.1
385.23688	100.0
386.24179	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.237
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
53.03934	5.4
55.05504	8.2
57.07056	11.0
59.04981	7.2
67.05169	3.5
67.05483	23.1
69.03415	9.9
69.07069	6.2
71.04988	3.7
71.75661	4.4
79.05505	20.8
81.07045	20.9
84.08155	19.6
85.06532	7.3
91.05463	30.6
93.07037	31.4
95.04949	14.8
95.08614	25.2
97.06512	13.3
99.04445	6.4
103.01148	4.1
105.07026	33.1
107.04932	5.0
107.08578	44.2
109.06516	11.4
109.10160	6.8
111.04431	13.2
111.08054	14.4
117.06991	18.1
119.08572	45.3
121.06479	6.2
121.10120	13.3
123.08062	45.3
128.06181	6.2
129.06970	11.5
130.07715	4.5
131.08551	34.3
133.06487	6.8
133.10101	18.4
135.08041	17.8
135.11670	41.9
137.05988	28.4
137.09547	5.3
141.07019	7.1
143.08539	10.8
144.09335	9.8
145.06502	10.1
145.10114	44.7
147.08020	20.8
147.11676	4.8
149.02386	6.0
149.09590	10.1
151.07526	96.4
153.09050	6.1
157.10117	9.6
159.08006	19.2
159.11694	58.6
161.09625	14.6
162.10352	7.9
163.07579	4.2
163.11163	30.9
165.09105	16.1
169.10068	6.1
171.11734	5.4
172.08820	4.6
175.11116	6.0
177.09102	13.4
177.12741	36.2
181.10062	4.7
187.11136	35.2
189.12726	22.5
191.14265	5.2
197.13286	5.6
199.11111	4.6
205.12224	62.6
207.13791	8.8
209.15326	5.0
217.04982	6.2
221.15393	9.6
243.13768	6.4
251.96492	4.4
285.10028	4.2
286.19272	17.4
307.13260	5.0
329.13776	8.3
329.17468	6.7
367.22668	13.8
385.09320	5.8
385.16074	7.9
385.23734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1463
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
55.01846	0.5
56.96558	0.6
57.97046	0.4
67.84221	0.4
69.03410	0.8
70.06589	4.3
71.31344	0.4
71.31676	0.9
72.08147	1.5
74.06039	0.5
79.05531	0.4
80.14369	0.4
81.03394	0.6
81.07052	0.4
84.04458	0.5
84.08127	1.2
84.71170	0.4
85.02878	1.2
86.09693	2.1
91.05437	0.5
93.07003	0.6
97.02888	0.7
98.97553	0.6
101.07157	0.5
113.23974	0.4
116.98649	0.6
117.03389	0.7
117.06928	0.6
119.01917	1.0
119.08601	0.5
123.04321	0.5
127.08701	0.5
131.01878	0.7
131.04768	0.4
137.06015	0.5
145.02861	1.2
151.03905	0.7
155.08092	1.0
157.03452	1.0
161.02341	0.8
161.06587	3.0
161.25201	0.4
167.06998	0.5
173.02881	0.8
173.05994	0.4
175.04529	1.5
177.05458	2.7
179.07649	1.5
185.06616	0.7
187.08148	1.4
187.14406	1.2
193.04924	0.6
197.06525	0.5
198.03734	1.3
199.08292	0.5
201.05513	1.6
205.12335	0.5
212.64110	0.4
213.09789	0.5
214.79826	0.3
215.13846	0.7
223.09575	6.0
227.07597	0.5
237.02692	0.5
241.09225	6.1
264.10727	0.6
265.09119	1.1
272.16119	0.6
354.91788	0.4
385.14594	100.0
386.14966	2.3
401.11191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86926	0.7
52.05053	0.9
53.03941	5.0
55.01862	7.2
55.05485	0.8
56.96568	1.0
57.03429	5.2
57.07064	2.2
61.02915	6.8
63.04472	1.3
68.07880	0.7
68.99771	2.0
69.03421	32.5
70.06578	0.9
71.01348	0.7
71.04972	4.6
71.14372	1.3
71.14715	1.2
73.02912	6.0
81.03409	26.7
81.07067	0.8
84.04492	0.9
84.08150	1.0
85.02893	100.0
86.03224	2.2
87.00817	43.6
87.04457	2.2
91.03955	1.7
91.05505	0.9
97.02880	36.7
98.97575	0.7
99.04445	11.6
105.01853	70.8
106.02119	0.8
109.02863	31.3
110.03195	0.9
115.03931	1.0
117.01854	2.7
119.10692	3.9
120.08128	3.4
122.31677	0.7
127.03896	74.7
128.04251	0.9
129.01836	2.7
145.04938	30.4
147.02893	2.7
153.05467	2.7
159.02875	15.7
161.11751	1.0
163.03920	0.9
189.03937	2.9
201.05486	1.0
202.96939	0.7
213.03908	4.8
223.06468	2.1
224.00041	0.9
231.04968	18.5
241.07434	1.3
249.06003	4.9
261.40753	0.7
265.07468	1.7
280.58218	0.7
283.08508	1.0
304.73148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39016	0.9
50.64589	1.0
51.82378	0.9
56.44293	0.8
56.96553	3.9
57.37278	0.8
61.47859	1.1
70.19924	4.8
82.76751	1.1
83.00204	1.1
98.96954	2.0
98.97575	29.1
116.98616	30.3
119.01891	5.9
134.99651	16.5
137.02934	2.1
153.00725	2.8
177.00951	17.5
178.01012	2.0
180.96350	1.0
215.19592	1.1
217.04053	2.4
219.01982	24.6
220.02135	2.9
221.01764	2.3
225.00848	2.2
234.99876	2.4
236.99730	4.3
237.99919	1.5
240.98743	1.9
242.03568	1.0
242.98601	2.0
243.01929	6.0
258.99771	12.0
260.00122	4.2
260.99780	18.8
261.03073	100.0
262.00143	1.9
262.03171	9.6
263.02869	2.5
276.98248	0.7
277.00833	22.4
278.01102	7.4
279.00684	25.4
280.00864	3.4
283.00012	5.5
284.00150	3.8
284.04700	4.3
284.99799	18.0
286.00000	4.2
301.01019	11.4
302.01160	6.5
303.00830	32.7
304.00955	7.7
305.00613	1.4
318.98917	1.1
321.01855	1.7
343.02081	3.8
361.01257	7.6
367.02127	1.7
379.02478	3.5
385.03500	10.6
403.00635	8.4
403.04407	8.9
408.04532	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1145
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01847	1.6
57.03415	2.3
58.68414	0.7
60.35513	0.7
60.66218	0.8
61.02895	0.9
69.03411	2.2
70.06583	1.3
70.63750	2.9
73.02916	1.7
82.52697	0.7
84.08125	1.8
85.02861	2.8
94.04072	0.9
97.02856	1.2
101.17039	0.7
121.05058	1.9
133.04927	0.8
133.34511	0.7
135.06630	1.7
136.06157	19.9
137.05911	1.2
141.56346	0.7
148.06146	7.9
151.03804	0.8
162.07729	38.2
173.00743	0.7
174.52400	0.7
188.05637	14.4
192.05139	20.2
204.08665	1.1
206.06711	6.1
216.05116	1.0
222.11432	0.9
234.06209	12.1
252.07248	100.0
253.07526	2.2
384.11551	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.5
55.01857	2.4
55.05505	17.5
57.03420	2.5
57.07061	11.5
59.04977	7.3
59.08650	1.6
65.03923	4.1
67.05494	42.7
69.03427	17.6
69.07049	7.8
71.04998	10.2
71.75493	3.1
71.84351	1.6
75.86143	1.8
77.03900	2.1
78.04742	1.7
79.05484	34.9
79.30260	1.6
81.03392	4.4
81.07044	44.6
83.04960	9.0
83.08596	4.1
85.02895	2.2
85.06529	6.4
88.01225	1.8
91.05463	51.1
93.07030	100.0
94.04230	1.8
94.07336	2.0
95.04951	27.8
95.08597	45.8
97.06534	13.5
99.04448	3.5
99.08055	1.7
103.05445	4.1
105.07013	81.7
107.04948	3.6
107.07891	3.1
107.08578	39.7
108.05692	2.2
109.06507	30.4
109.10139	31.0
111.08067	9.0
113.67157	1.5
115.05436	3.1
117.06995	12.8
119.04939	1.8
119.06120	1.7
119.08565	57.5
120.09327	2.5
121.06493	17.2
121.10128	43.3
122.07285	1.9
122.10473	2.4
123.08047	36.2
125.09659	2.0
127.03884	2.4
128.06215	9.5
129.06981	14.3
130.07770	6.1
131.08553	24.8
133.06454	8.0
133.10123	35.9
133.11118	2.4
135.08043	24.5
135.11673	7.3
137.05936	4.1
137.09566	12.1
139.07547	2.2
141.06952	6.0
142.07742	25.3
143.08545	27.5
144.09280	5.2
145.06470	2.1
145.10107	37.7
146.07176	1.8
147.08032	30.3
147.11678	20.7
148.08794	4.2
149.09586	20.9
151.07513	40.6
153.09132	4.8
155.08543	6.3
156.09331	8.8
157.10101	46.7
158.10794	3.0
159.08081	8.4
159.11652	16.6
160.08820	3.9
161.09598	28.7
161.13246	8.4
163.11166	10.2
165.09097	49.8
169.10063	8.2
170.10872	6.3
171.08044	2.6
171.11722	8.5
173.09648	9.9
173.11794	2.2
173.13216	6.7
174.10449	2.1
175.11139	22.6
175.14810	8.9
177.09142	8.4
179.08539	4.0
181.10095	2.3
182.10896	4.0
183.11694	5.1
185.09622	2.9
185.13220	17.9
187.11163	7.5
187.14812	4.7
189.12744	10.2
191.10660	3.0
191.14307	2.7
193.10167	2.4
194.10840	2.0
195.11671	6.5
197.09644	2.0
197.13246	7.0
199.11104	4.5
199.14748	2.4
201.12656	9.5
203.14291	36.8
207.11757	4.2
207.13780	16.3
209.13298	4.7
209.15346	4.4
211.14787	2.5
212.11824	1.9
213.12750	3.7
213.16208	2.6
215.10590	2.6
215.14247	5.6
217.12270	2.9
219.13766	5.7
220.12505	1.9
221.15341	94.1
222.15709	2.5
223.14752	4.2
225.12701	3.6
227.14273	3.8
231.13817	3.4
233.15350	4.8
234.16133	8.8
239.06065	1.8
239.17923	2.7
243.13773	4.1
247.14989	1.9
253.15901	2.4
267.17529	2.3
269.18878	2.2
281.18878	4.4
286.19250	8.1
287.19995	8.0
299.20029	6.9
303.19583	11.0
309.18524	4.9
339.68481	1.7
341.50726	1.9
347.23846	3.5
365.24612	11.2
383.20642	4.1
383.25714	66.1
384.26105	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01867	4.8
55.05501	17.5
55.56390	2.1
57.03442	2.7
57.07058	9.8
59.04985	8.6
65.03926	3.8
67.05499	34.7
68.20874	2.0
69.03426	15.6
69.07056	10.0
70.10040	1.9
70.20442	10.9
71.04987	8.7
79.05490	32.9
81.07047	43.5
83.04967	5.8
83.08602	3.3
85.06535	6.8
91.05470	55.0
93.07037	100.0
95.04951	28.4
95.08598	39.7
97.06525	16.0
102.17632	2.1
103.05431	2.7
105.07021	84.6
107.08578	43.5
109.06503	25.9
109.10150	21.8
111.08082	10.0
113.09699	2.2
114.24983	2.2
115.05473	3.7
116.06227	3.6
117.06986	11.0
118.63731	2.2
119.07722	4.1
119.08572	71.3
120.09399	2.7
121.06480	13.8
121.10142	42.1
123.08054	30.4
128.06201	6.3
129.07008	12.5
130.07776	7.0
131.08559	28.5
133.06479	9.8
133.10112	32.1
135.08040	20.3
135.11678	5.6
137.05984	2.8
137.09583	10.2
139.11244	2.7
141.06992	6.2
142.07776	25.3
143.08557	25.4
145.06523	3.6
145.10112	43.8
146.07300	3.0
147.08061	30.4
147.11684	13.7
148.08781	4.7
149.09621	18.2
151.07530	44.3
153.09081	2.9
155.08583	7.9
156.09326	9.9
157.10109	54.4
159.08044	9.1
159.11705	18.8
160.08846	4.1
161.09573	22.8
161.13293	5.0
163.11180	7.0
165.07022	2.9
165.09100	45.1
168.09299	4.2
169.10138	8.7
170.10944	6.2
171.08018	3.5
171.11661	5.4
173.09612	14.2
173.13240	9.4
174.10284	2.2
175.11180	21.9
175.14828	7.9
177.09093	12.1
178.09845	3.7
179.08588	3.0
179.10596	3.1
181.10069	2.9
183.11716	10.1
185.09604	4.5
185.13257	24.5
186.13535	2.3
187.11185	6.3
187.14774	3.5
189.12733	8.9
191.10655	2.4
191.14305	5.5
193.10127	3.9
193.12077	2.3
194.10820	3.4
195.11700	4.9
197.13252	5.3
199.11234	5.9
199.14835	3.4
201.12744	9.5
203.14288	36.8
205.45692	2.5
207.11934	3.7
207.13785	14.1
209.13271	5.9
209.15407	8.5
211.14842	3.0
212.86209	2.3
213.12769	6.0
215.14320	7.4
217.12276	3.2
219.13765	6.8
221.13394	2.3
221.15331	69.5
222.15819	4.5
225.12828	4.6
227.14270	6.5
227.18066	2.7
231.13785	4.3
233.15343	4.7
234.16054	11.6
241.15912	2.6
274.19525	2.4
285.18652	3.6
286.19327	7.3
287.20099	8.8
299.19977	5.2
303.19620	8.2
309.18610	3.5
365.24771	15.0
366.24805	2.2
383.25824	78.8
384.26248	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65546	1.8
51.62964	2.1
53.03934	5.9
55.01869	2.4
55.05502	13.5
56.53042	1.8
57.03450	2.1
57.07073	12.1
59.04984	6.7
61.23406	1.9
65.03947	2.6
67.05494	35.1
69.03415	15.2
69.07039	7.7
69.15878	1.7
69.63091	14.6
71.04977	8.3
71.08604	2.1
77.03912	2.0
79.05479	29.2
81.03428	4.8
81.07043	33.7
83.04967	7.0
83.08600	3.8
85.06536	4.5
91.05462	50.3
93.07032	100.0
95.04952	29.5
95.08595	42.1
97.06520	15.2
99.04485	2.0
103.05453	2.1
105.07014	75.8
105.07713	4.1
107.04969	2.4
107.08580	42.3
109.06503	27.2
109.10139	29.2
111.08056	10.5
115.05477	2.5
117.07006	10.2
119.08559	59.5
120.09356	4.1
121.06478	16.5
121.10123	43.4
123.08052	30.7
123.11740	2.3
128.06200	8.4
129.06982	13.7
130.07767	4.7
131.08549	27.4
133.06494	7.1
133.10114	33.3
135.08035	20.8
135.11710	6.0
137.05945	3.6
137.09570	14.2
141.06985	4.5
142.07756	25.5
143.08551	24.9
144.09346	3.9
145.06502	3.7
145.10107	35.3
146.07249	4.0
147.08032	34.3
147.11684	14.5
148.08760	5.5
149.09590	22.5
149.13109	2.1
151.07518	43.8
153.09123	3.2
155.08560	7.0
156.09367	9.3
157.10110	41.6
159.08034	7.0
159.11691	17.4
160.08769	2.9
161.09604	20.8
161.13197	9.2
163.07504	2.2
163.11156	8.0
165.09084	45.7
169.10101	6.8
170.10854	4.7
171.11693	9.4
173.09605	13.3
173.11798	2.2
173.13220	6.6
175.11188	18.8
175.14766	10.0
177.09079	9.7
178.09778	2.2
179.10747	1.9
181.10088	5.1
181.12212	2.8
183.11656	7.0
185.13266	17.4
187.11156	6.3
187.14818	3.2
189.12730	9.9
191.14232	5.8
192.09357	2.2
195.11676	3.8
197.13278	6.8
199.11165	5.3
199.14807	3.3
201.12740	5.9
203.14288	38.8
207.11859	3.0
207.13791	12.7
209.13255	5.5
209.15370	5.5
209.56787	2.0
210.13947	2.2
211.11136	4.2
211.14749	3.9
213.12711	4.4
215.10506	2.2
215.14191	4.4
216.15044	2.2
217.12155	2.9
219.13821	5.7
221.13396	3.4
221.15326	82.6
222.15735	3.0
225.12758	2.8
225.16306	3.0
227.14348	3.3
231.13763	2.5
233.15338	2.7
234.16151	10.8
237.14693	2.1
239.14030	2.0
239.17900	1.9
243.13791	2.7
251.17606	2.3
257.06979	2.1
265.15988	2.7
273.18622	2.3
274.19156	2.2
281.18848	3.6
286.19193	8.6
287.19952	6.3
291.17352	2.5
298.19907	1.9
299.20032	9.4
303.19598	8.9
309.18445	3.7
327.19498	3.1
347.23795	2.4
360.39664	2.4
365.24728	10.4
383.25754	62.2
384.25995	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2574
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03936	5.9
55.01857	3.3
55.05496	15.9
57.07064	12.3
59.04982	6.6
61.45003	2.3
67.05492	28.8
69.03432	18.2
69.07048	11.0
71.04971	8.2
71.20243	6.2
71.20648	2.1
79.05489	34.5
81.07047	34.5
83.04952	7.1
85.06529	8.6
87.66910	2.5
91.05466	52.5
93.07030	100.0
95.04961	23.2
95.08588	40.1
96.14428	2.5
97.06516	16.3
98.35971	2.3
103.05453	4.3
105.06323	5.0
105.07015	85.7
107.08581	47.3
109.06504	23.6
109.10138	17.8
111.08070	9.5
115.05436	3.8
117.06994	11.1
119.08564	57.1
120.09355	2.6
121.06516	13.8
121.10139	46.8
123.08057	31.8
128.06207	10.0
129.06992	12.1
130.07782	4.8
131.03696	2.6
131.08563	32.4
133.06502	12.1
133.10121	35.9
135.08023	25.2
135.11664	6.0
137.05952	3.8
137.09576	15.7
141.07002	5.0
142.07756	27.1
143.08533	22.7
144.09293	3.9
145.06514	3.2
145.10100	39.0
147.08020	25.2
147.11655	21.1
149.09596	26.8
151.07516	47.2
153.09090	3.5
155.08569	10.1
156.09337	8.7
157.10117	48.8
159.08051	10.5
159.11635	16.2
160.08748	4.6
161.09608	23.1
161.13208	8.8
163.11142	7.8
165.09090	46.2
169.10089	8.2
170.10864	5.8
171.11697	8.9
173.09590	9.9
173.13277	8.9
175.11145	27.8
175.14700	5.6
177.09113	14.4
179.08522	4.0
181.10066	3.2
181.12263	4.0
182.10973	4.1
183.11667	7.3
185.09619	6.2
185.13235	17.6
187.11217	4.1
189.12715	10.5
191.14273	6.2
193.10136	3.2
195.11703	4.4
197.13254	7.0
199.11201	4.0
201.12732	9.9
203.14276	32.3
207.11891	4.1
207.13728	15.7
209.13261	8.9
209.15221	4.1
211.14809	4.7
213.12747	8.0
215.14331	7.4
216.15048	2.6
219.13768	7.3
221.15335	72.3
223.14911	4.5
225.12744	2.8
225.16319	3.3
229.15805	2.6
231.13712	3.2
233.15338	5.6
234.16171	10.3
237.14723	4.7
243.13843	4.0
269.18872	3.8
286.19293	5.4
287.20032	12.7
290.19669	2.8
299.20114	3.4
303.19531	10.2
347.23721	3.4
365.24722	10.8
383.25760	85.7
384.26022	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2576
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03943	6.2
55.01860	3.9
55.05508	12.7
57.07060	10.9
59.04985	2.9
59.87386	2.1
65.03938	3.8
65.26160	2.4
67.05499	27.3
69.03426	21.0
69.07044	11.1
69.56135	21.2
71.04977	5.9
73.53804	2.5
79.05486	32.4
81.07058	38.0
83.04979	6.6
83.08611	4.8
85.06542	6.9
86.27641	2.4
88.76933	2.4
91.05472	47.2
93.07037	100.0
95.04967	31.1
95.08595	37.2
97.06517	13.3
98.10884	2.4
98.20684	4.6
103.05465	2.9
105.07024	76.2
107.08592	43.6
109.06527	28.9
109.10159	20.8
109.19423	2.2
111.08069	7.8
115.05460	3.2
116.06248	3.0
117.07005	15.6
119.08572	50.9
121.06519	12.1
121.10130	39.1
123.08061	27.3
128.06197	3.7
129.06963	13.8
130.07800	3.6
131.08553	26.3
133.06476	8.7
133.10110	34.9
135.08022	26.8
135.11681	7.1
137.09615	10.7
141.06985	4.6
142.07768	19.9
143.08548	27.0
144.09280	3.8
145.06386	3.1
145.10114	39.0
147.08028	28.5
147.11678	21.5
148.08694	2.6
149.09610	27.4
151.07539	40.3
153.09119	3.6
155.08565	6.9
156.09366	9.4
157.10123	39.4
159.08049	6.3
159.11678	16.7
160.08771	6.6
161.09633	22.4
161.13269	5.1
163.11166	8.2
165.09106	37.9
167.08586	4.9
167.61497	2.4
169.10117	10.0
170.10913	5.4
171.11700	8.9
173.09590	10.4
173.13177	11.1
175.11163	19.2
175.14835	5.5
177.09074	12.6
179.14392	2.4
180.09302	3.3
183.11720	7.5
185.13226	17.0
187.11136	6.6
187.14806	4.9
189.12691	14.1
191.14362	3.1
194.10919	2.8
195.11707	4.0
197.13271	8.8
199.11244	4.6
201.12801	7.4
203.14291	28.8
207.11853	4.2
207.13783	10.9
209.13217	6.5
211.11021	3.8
213.12762	6.6
215.14311	6.2
216.14987	2.6
219.13869	5.0
221.13312	2.5
221.15350	68.1
222.15724	4.1
223.14839	2.9
225.12714	3.6
225.16208	2.5
227.14262	4.7
231.13695	6.5
233.15416	5.3
234.16064	13.9
237.14732	3.9
243.13948	3.7
281.19064	6.3
286.19299	5.3
287.20041	14.6
299.20023	5.7
300.20923	3.0
303.19345	5.3
309.18524	3.2
365.24765	12.9
383.25748	69.1
384.26221	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01863	4.6
55.05503	15.6
57.03438	2.3
57.07061	14.6
59.04986	8.3
64.97836	1.8
65.03943	3.5
67.05496	31.9
69.03421	15.0
69.07057	12.8
70.81878	6.5
71.04986	7.6
79.05067	3.0
79.05488	29.6
81.03400	2.5
81.07052	36.7
83.04974	7.1
83.08606	3.0
83.62415	2.0
85.06540	6.6
91.05468	53.4
93.07034	100.0
94.07366	2.9
95.04961	29.0
95.08599	42.2
97.06507	15.2
99.23796	2.1
103.05450	3.3
105.07021	82.8
107.04964	2.5
107.08587	48.4
109.06503	26.2
109.10155	19.5
111.08065	9.0
111.25053	2.2
115.05479	3.9
117.06988	15.0
119.08578	52.3
120.09395	2.7
121.06479	20.8
121.10136	49.0
123.08070	34.2
125.05968	2.2
128.06215	8.3
129.06966	13.5
130.07750	6.9
131.08569	28.2
133.06500	9.0
133.10097	29.6
135.08034	26.3
135.11691	6.1
137.09569	10.3
139.67062	1.9
141.06989	3.7
142.07753	19.8
143.08560	27.2
144.09348	5.5
145.06482	3.3
145.10100	39.2
146.07281	3.8
146.10629	2.5
147.08046	29.7
147.11668	14.2
148.08766	2.0
149.09613	31.3
150.10411	3.8
151.07520	43.1
155.08514	7.6
156.09370	10.7
157.02933	2.5
157.10126	43.3
157.11397	3.8
158.92220	2.1
159.08081	9.0
159.11702	18.1
160.08801	4.2
161.09596	22.5
161.13239	9.1
163.11174	6.5
165.07019	2.3
165.09103	52.6
165.10414	3.7
166.09496	3.4
167.08594	3.7
169.10146	6.3
170.10922	6.9
171.11690	10.0
172.08859	2.5
173.09560	10.9
173.13216	10.8
174.10356	3.0
175.11154	17.8
175.14836	8.9
177.09082	16.5
179.01282	2.4
179.08505	4.1
179.10667	3.3
181.10098	3.6
182.10899	2.9
183.11697	8.5
185.09648	3.1
185.13266	19.4
187.11169	5.9
187.14781	2.6
189.12717	10.0
191.14265	3.2
193.10202	2.5
195.11696	6.0
197.13260	6.8
199.11147	6.5
199.14787	5.2
201.12770	9.9
203.14316	32.5
207.11841	3.6
207.13797	10.9
209.13342	5.3
209.15370	6.0
210.14014	2.7
211.14879	4.3
213.12759	4.0
215.14320	9.8
216.15112	2.9
219.13812	7.9
221.15338	83.7
222.15694	3.3
225.12746	4.5
225.16499	2.3
227.14304	4.9
231.13713	2.8
233.15321	5.5
234.16162	17.3
237.16524	2.5
238.13377	2.2
239.18022	2.9
241.15932	2.9
243.13808	2.8
247.14890	2.5
260.75165	2.2
281.19119	4.2
286.19443	4.9
287.20078	6.6
299.20047	7.8
303.19458	8.9
341.53284	2.5
347.23575	4.4
365.24866	13.0
383.25766	66.6
384.26236	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.5
57.03419	3.9
61.02905	4.7
69.03425	11.3
69.74834	11.6
73.02894	2.3
73.62064	1.4
74.02444	2.9
81.03397	7.1
82.02937	2.5
85.02897	32.9
94.06554	2.1
97.02885	10.5
99.04447	2.9
103.03934	1.6
106.06580	1.7
109.02876	3.0
115.05446	2.1
116.98607	1.9
118.06523	4.5
127.03864	5.1
130.06509	70.2
132.04428	22.3
132.08064	6.0
134.05972	2.4
136.06204	1.5
144.06927	2.1
144.08070	29.3
145.07582	20.9
146.06003	13.8
148.07545	4.1
151.64386	1.5
154.06476	6.0
156.06873	2.0
156.08041	3.1
157.07597	63.4
158.05994	48.0
159.09204	7.3
160.07571	4.4
167.07281	2.0
169.07597	5.7
170.05928	2.8
170.08353	1.9
171.09203	8.7
172.07571	12.4
174.05460	5.5
175.08659	58.7
176.07123	2.1
176.08891	1.5
181.07631	3.8
182.06049	1.8
182.08406	4.0
183.09145	17.3
184.07576	3.6
185.07088	12.6
186.05463	3.4
186.07884	2.2
187.08682	3.4
190.08582	1.6
196.07582	2.0
197.07155	1.7
199.08672	9.4
200.07072	18.7
203.08139	100.0
204.06493	2.5
204.08325	1.6
207.09244	1.9
209.07068	5.9
210.09261	1.8
215.08105	2.3
216.08900	4.2
217.09698	31.9
220.11748	2.0
221.07013	3.4
221.09175	52.8
221.12236	2.1
227.08199	12.6
228.06529	4.0
231.07698	6.5
243.07591	2.4
245.09196	20.7
246.07541	1.9
257.09244	3.3
263.10254	44.7
266.08063	2.8
269.09164	1.7
274.10641	2.0
299.10312	7.8
311.10284	2.1
319.12735	1.6
329.11194	4.8
347.12338	10.2
348.10706	10.7
365.13376	26.2
383.08279	5.0
383.14343	17.6
392.87839	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.9
63.26102	0.8
69.03400	1.0
69.93360	3.9
70.06567	0.8
72.06187	0.9
85.02904	1.4
93.15006	0.8
96.95262	0.9
97.02899	0.9
136.06165	4.9
137.05940	5.0
143.02002	1.4
148.06165	2.5
161.02887	1.2
162.07718	9.1
181.03426	0.9
188.05716	3.6
192.05203	3.9
195.05110	0.9
206.06660	2.5
234.06258	3.8
252.07269	27.4
261.89243	0.9
261.98181	0.9
383.13080	100.0
384.11395	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.079
Annotation	Unknow
Peak:m/z	Relative Intensity
71.18274	11.8
121.56603	5.1
126.04851	4.4
178.93268	5.0
194.88225	5.1
196.69064	5.2
201.01689	6.7
208.06754	5.1
212.16357	6.6
219.02634	6.3
381.07910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46776	11.0
70.06573	1.7
81.03373	1.2
84.08123	1.5
85.02914	2.7
88.03119	1.0
120.93436	1.1
147.04408	2.8
163.03903	2.0
255.59207	1.0
331.26425	1.1
383.13080	100.0
384.13400	4.4
397.95654	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94371	3.4
66.57114	3.3
68.27177	3.6
71.17036	7.7
85.31775	3.8
118.96725	3.4
131.99037	3.8
156.89362	3.9
182.88997	3.5
185.81644	3.6
219.02605	4.9
219.80463	4.1
234.80327	3.7
381.07898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2581
Annotation	Aurachin B
Peak:m/z	Relative Intensity
55.01863	0.9
55.05491	1.3
57.03424	1.1
60.04525	0.6
61.02914	1.4
63.10333	0.5
67.05488	2.9
69.03411	0.9
69.07033	0.9
70.99279	1.0
70.99637	0.7
73.02919	0.8
78.20628	0.5
79.05484	2.8
81.07034	2.6
83.08601	0.6
84.04479	2.0
85.02892	2.3
87.77755	0.5
91.05466	3.5
93.07025	1.6
95.01384	0.4
95.08574	0.6
97.02880	2.5
97.06518	0.9
104.04999	0.6
105.07040	2.4
107.04934	1.1
107.08569	1.1
109.10164	1.1
115.05446	0.6
117.05761	3.2
117.07001	1.2
118.06531	0.8
119.08569	1.3
121.06506	1.1
121.10161	0.7
130.06526	1.2
131.07291	0.5
131.08543	0.7
132.08061	2.2
133.10120	0.7
134.21233	0.5
142.06493	0.7
144.08064	1.3
146.09641	0.9
147.10434	1.7
148.07553	0.5
150.09117	1.8
154.06508	2.0
156.08092	2.6
158.04475	3.9
158.09592	2.3
160.11169	1.5
166.06506	8.0
167.07298	4.7
168.08054	1.9
170.09689	0.6
171.10463	2.3
172.11162	3.0
176.05531	0.9
180.08064	2.2
181.08827	0.8
182.09639	40.5
183.10022	2.1
184.11183	2.9
192.07945	1.0
194.09619	1.1
195.10413	0.6
196.11162	0.7
197.12009	0.9
198.12787	1.1
200.10777	0.6
202.12277	0.6
204.08604	1.4
206.09663	1.7
207.10356	0.7
208.11281	2.3
210.09216	0.6
210.12762	2.3
218.06630	2.2
218.09587	1.1
220.11163	1.6
222.09140	2.0
222.12694	5.1
223.13361	0.9
224.14366	0.9
226.12242	40.0
227.12584	2.6
232.11209	1.1
234.12810	1.9
236.10675	2.0
236.14204	2.5
237.11406	0.8
238.12245	1.6
245.05150	0.6
246.05247	2.1
247.04758	0.7
248.10532	0.7
248.14334	1.3
250.12300	3.4
250.15852	0.6
252.13875	0.9
264.06311	0.9
264.13782	3.2
276.13861	0.7
278.15408	1.9
292.20584	0.6
320.05197	0.9
321.04919	0.7
336.23233	0.8
377.56369	0.6
380.25806	100.0
381.21692	0.6
381.26233	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14272	2.4
51.58557	2.2
55.01868	5.7
55.05507	6.3
57.03428	3.0
57.29502	2.3
65.93642	2.6
66.12990	2.4
67.05496	17.7
69.03422	6.9
69.07056	2.5
70.06581	4.1
71.04986	24.0
71.17624	6.1
72.08136	7.9
79.05487	3.2
81.03388	8.1
81.07035	3.6
83.04984	6.0
85.02895	20.1
86.09709	6.5
91.05466	4.8
93.07066	5.9
95.04967	15.4
95.08591	18.5
97.01092	3.3
97.02895	5.2
105.07049	3.1
109.06522	3.5
109.10158	12.6
111.04421	13.1
113.05963	5.8
119.08568	6.3
120.08106	8.6
123.08058	89.3
129.05455	4.6
129.10204	3.5
137.09624	18.8
155.10651	100.0
155.61806	2.4
165.09215	4.5
183.10168	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.8
61.02915	1.1
65.99236	0.7
69.03419	1.5
69.95576	5.0
70.06593	4.0
71.04977	1.0
72.08144	1.0
80.16054	0.8
81.03371	1.4
84.08128	1.3
85.02889	7.9
86.09671	1.2
91.05447	1.0
94.04182	1.1
97.02867	2.1
109.02872	1.8
116.07037	1.3
120.08099	0.9
120.81955	0.8
122.03610	2.2
127.03893	2.0
128.98721	0.9
136.07568	2.5
137.05960	100.0
138.06290	2.0
139.12312	0.8
141.97035	0.9
145.04921	1.2
146.99614	1.0
151.07475	1.5
153.05420	0.9
163.07495	1.9
181.08583	12.9
212.19507	0.9
234.98802	1.1
237.02740	1.0
252.99959	0.9
256.88931	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87225	1.6
57.03408	1.9
58.62135	1.8
69.03407	3.6
69.56974	14.5
70.06583	8.3
81.03405	1.9
84.15974	1.6
85.02885	6.4
86.09656	2.3
90.35036	1.6
112.02177	3.9
116.07054	2.4
120.08143	2.0
122.03526	1.5
127.03873	2.6
136.07513	4.0
137.05952	100.0
141.79546	1.6
179.03433	2.8
181.08638	10.3
355.19943	1.6
378.11789	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.3
67.05468	1.0
69.03393	1.0
70.02945	1.6
70.06580	3.7
70.31644	4.3
71.06874	1.0
72.08151	15.5
73.08474	1.1
77.79402	1.1
81.07024	1.1
84.04504	2.1
84.08139	2.5
84.35489	0.9
85.02915	1.9
86.09708	7.8
87.04431	1.2
88.03992	8.5
91.05470	9.6
93.07007	1.5
95.51626	1.0
98.02397	2.9
98.97559	1.9
103.05466	3.6
116.98600	1.2
117.07033	1.2
118.06557	1.0
118.08641	3.9
119.04933	1.9
119.07291	1.5
120.08092	100.0
121.08470	1.5
123.08047	1.7
127.03954	1.0
129.10242	3.0
130.06514	24.1
137.09641	1.7
137.22546	0.9
144.08093	6.1
147.04366	5.5
164.07063	1.0
172.07541	6.7
175.08659	18.0
176.07043	1.2
188.07048	3.1
190.08597	7.0
200.07152	1.0
217.07887	0.9
217.09639	6.0
218.08066	2.6
219.01579	1.1
233.16595	1.4
234.11330	2.0
235.10756	76.2
236.10927	1.2
237.02692	1.1
245.09233	1.6
250.13907	1.2
255.17816	1.0
263.10278	13.3
265.15439	4.1
287.39673	1.0
331.09497	1.0
380.12927	1.5
380.17419	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79596	0.6
57.03432	0.5
69.03400	1.1
70.06592	0.7
70.68804	1.1
70.69194	1.1
85.02900	3.2
94.04167	0.7
97.02871	1.0
113.25107	0.5
122.03612	2.7
127.03874	1.1
137.05959	100.0
138.06274	2.5
141.14302	0.4
146.42871	0.5
160.05161	0.6
163.07605	2.5
175.07591	1.1
177.09003	0.5
181.08566	9.9
188.03085	0.5
205.08582	0.5
207.16513	0.5
240.05672	0.5
318.93488	0.5
379.30023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46822	1.6
53.03700	1.3
53.03936	9.5
55.01849	1.5
55.05500	4.3
57.03418	4.4
57.07053	2.1
62.24463	1.5
67.05483	2.7
69.03419	27.2
69.07053	8.0
70.06571	2.3
71.04979	8.1
71.08623	4.0
71.74139	1.3
72.08130	7.0
79.05480	4.3
81.03404	34.5
81.07032	5.6
83.04963	3.8
85.02895	59.2
91.05446	4.3
91.39571	1.7
91.40244	1.5
93.07018	5.6
95.04996	1.8
95.08581	2.8
97.02892	7.5
97.06508	3.1
98.99867	1.6
99.04439	32.1
103.03929	51.8
103.05405	2.0
105.06998	4.6
107.08582	2.7
109.02870	26.2
109.06508	2.7
109.10152	4.5
111.04446	3.4
111.11692	3.0
119.08544	4.7
120.08088	12.6
121.10085	3.2
122.24236	1.4
123.08051	3.0
126.02490	1.7
127.03896	100.0
127.11176	5.2
129.12714	1.8
131.08548	2.3
133.10059	3.3
145.04953	9.8
145.10100	2.3
156.27573	1.5
159.11644	2.8
163.05986	2.2
164.57866	1.5
187.05965	9.4
197.95767	1.5
219.14966	3.2
231.05060	2.7
241.09680	3.8
253.07129	2.6
374.34232	1.7
377.20071	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01856	1.0
57.03408	1.6
61.02923	3.2
69.03152	0.4
69.03424	4.8
69.07042	0.5
70.06568	1.3
70.92940	0.7
70.93262	0.6
71.04976	1.0
71.53278	0.4
72.08143	0.7
73.02901	1.1
76.86552	0.4
81.03413	2.9
83.04941	0.5
84.04480	0.9
84.08155	0.6
85.02893	21.6
86.03149	0.4
86.09691	1.2
87.04458	0.8
87.51289	0.6
91.03934	1.6
91.05466	0.6
97.02879	7.5
99.04440	1.0
109.02872	1.8
122.03604	1.1
127.03898	3.9
137.05960	100.0
138.06305	2.2
139.42024	0.5
145.04951	5.0
151.07524	1.3
163.06027	0.5
164.42677	0.4
179.07016	36.6
180.07306	0.9
180.08707	1.8
197.08080	3.9
214.10796	0.8
246.97685	0.5
321.86157	0.5
376.08524	0.4
377.17737	0.7
387.50626	0.5
393.28693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1451
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03927	2.1
55.01854	0.8
57.03430	7.7
61.02922	3.6
63.86201	0.6
69.03419	13.8
70.06577	0.7
71.01333	2.1
71.04968	3.1
71.19424	1.7
71.56143	0.6
73.02898	2.6
75.04471	2.3
81.03412	4.3
87.04430	1.3
91.31155	0.7
99.04441	6.1
108.39482	0.6
117.05496	1.3
120.08047	0.8
145.07579	3.5
170.07091	1.9
172.08673	28.2
190.09627	1.3
198.06599	7.5
200.08170	4.9
214.09863	0.9
216.07672	17.4
218.09274	0.8
234.98915	0.8
243.08757	79.1
244.06841	1.0
244.09122	2.6
309.38416	0.7
359.13443	3.9
377.14517	100.0
378.15039	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.6
55.01867	3.5
55.05505	15.4
57.07055	4.0
60.81621	1.9
65.03927	4.8
67.05495	29.5
67.76762	2.0
69.07059	13.6
69.27557	2.3
70.19595	8.9
71.04959	2.8
72.19245	1.9
79.05083	2.7
79.05492	38.9
79.82418	1.8
81.03417	2.2
81.07047	55.4
83.04930	2.4
83.08620	3.3
91.05470	58.1
93.07034	78.0
95.04386	3.5
95.04955	46.0
95.08600	46.2
97.06534	10.8
103.05458	5.7
105.07022	100.0
107.04963	2.7
107.07900	3.1
107.08587	46.4
109.06519	15.8
109.10152	21.6
115.05414	5.6
117.07000	18.9
118.07779	1.9
119.07719	3.9
119.08572	76.4
121.06519	15.2
121.10135	71.3
123.08042	6.4
123.11678	6.8
128.06209	9.9
129.06987	16.1
130.07739	6.2
131.07632	3.9
131.08554	48.7
133.10115	40.3
135.08084	3.7
135.11662	18.6
136.93361	2.0
137.09569	2.9
141.06995	7.2
142.07771	20.5
143.08549	26.9
144.09296	7.6
145.10109	59.9
147.07994	5.1
147.11655	20.7
155.08556	11.7
156.09276	8.2
157.10127	44.4
158.10748	4.9
159.08069	4.3
159.11673	32.4
161.09612	12.0
161.13268	5.0
163.11131	2.2
165.06960	2.6
166.07791	2.1
167.08553	6.1
168.09407	3.6
169.10139	22.7
170.10701	2.7
171.11687	19.2
173.09560	2.4
173.13261	16.0
175.11139	6.6
175.14789	7.7
179.08536	8.4
180.09305	3.3
181.10020	10.0
182.10841	5.5
183.11685	17.1
184.12465	2.6
185.13248	6.7
187.11179	7.0
187.14824	12.2
193.10078	5.6
194.10869	5.6
195.11597	10.6
196.12431	2.1
197.13278	13.0
199.11058	2.9
199.14804	6.4
201.16399	5.8
205.10233	2.3
206.10939	3.0
207.11652	6.1
209.13203	11.3
210.13852	2.6
211.14764	7.6
213.16362	3.6
220.12445	4.7
221.13260	5.2
223.14815	5.6
225.16347	4.4
227.14413	3.2
235.14772	3.2
237.16386	3.0
239.17947	3.0
241.19586	2.2
247.14894	3.1
249.16246	2.7
251.18112	2.0
253.15907	3.0
253.19397	3.5
265.19431	5.3
275.17947	2.2
277.19299	2.2
357.26035	3.1
375.22394	3.0
375.26755	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.9
55.01869	2.8
55.05502	21.6
56.61801	2.1
57.07067	5.8
61.75544	2.8
67.05493	26.0
69.03390	2.5
69.07071	13.3
69.45933	10.9
69.46367	11.4
71.05003	3.0
79.05485	39.9
81.03438	3.0
81.07052	56.2
83.08604	4.0
91.05469	55.9
93.07034	78.5
95.04955	40.3
95.08601	38.3
95.80321	2.2
97.06515	8.3
97.36189	2.1
103.05458	3.8
105.07021	100.0
107.08582	46.0
109.06499	13.2
109.10150	23.1
115.05453	6.5
117.07007	20.5
119.06100	2.5
119.08570	84.6
119.38289	2.6
120.08881	2.3
121.06486	13.7
121.10131	67.8
121.10963	4.1
123.08070	6.5
123.11698	5.1
124.54601	2.5
128.06206	11.8
129.06990	11.7
130.07797	5.1
131.08554	41.0
133.10114	45.0
135.08017	4.6
135.11684	15.5
141.06955	8.3
142.07745	18.8
143.08533	27.8
144.09338	6.4
145.06529	3.2
145.10114	59.7
146.07173	3.3
147.11667	18.2
153.06946	4.5
155.08582	12.7
156.09294	10.0
157.10109	43.1
159.08142	4.5
159.11678	34.1
161.09636	11.5
161.13278	8.2
167.08521	4.4
169.10114	20.0
170.10915	4.0
171.11688	17.5
172.12410	2.9
173.09583	3.9
173.13226	19.4
175.11183	5.3
175.14845	10.5
179.08568	5.5
181.10114	11.0
182.10777	4.2
183.11609	12.0
185.13245	9.3
187.11250	5.3
187.14766	11.8
193.10161	9.9
194.10896	5.5
195.11696	9.1
197.13171	12.2
199.14848	8.4
201.16501	3.7
206.10802	3.0
207.11673	8.0
208.12440	2.6
209.13290	14.1
211.14868	11.7
213.16415	5.0
221.13280	4.3
221.96548	2.7
223.14793	5.5
235.14857	7.5
237.16316	3.6
247.14790	3.1
249.16191	3.0
251.17973	4.2
253.15854	4.6
253.19484	4.2
263.17978	2.7
265.19501	5.5
277.19443	3.1
315.84576	2.5
357.25537	2.9
375.26715	34.2
375.30865	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2374
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03931	6.0
55.01862	8.1
55.05503	19.8
57.03432	11.1
57.07067	3.6
59.04989	4.5
61.02922	12.0
67.05502	12.3
69.03049	1.4
69.03423	35.3
69.07059	43.5
69.61734	8.5
69.62143	2.7
70.00599	1.4
70.06587	2.5
71.04988	9.6
73.02916	5.8
78.38315	1.2
79.05494	9.5
81.03413	17.4
81.07043	29.9
83.04974	8.0
83.08615	8.6
85.02898	82.3
85.06542	26.5
87.04466	4.9
91.03943	4.6
91.05482	8.0
93.07038	18.5
95.01331	2.5
95.04949	6.0
95.08597	41.2
96.08929	1.5
97.02305	2.5
97.02879	28.0
97.06525	5.7
97.10160	10.7
99.04450	6.1
99.08081	21.1
104.56670	1.5
105.07042	5.3
107.04970	2.0
107.08577	26.6
109.02880	11.8
109.10144	17.3
111.04461	1.8
111.08047	7.1
111.11708	7.4
113.09639	6.9
117.06997	2.3
119.08542	3.8
121.02942	1.7
121.06494	2.5
121.09261	2.3
121.10131	38.2
122.10478	1.6
123.04480	1.7
123.11687	8.9
125.09609	8.6
127.03894	19.5
128.06221	1.8
131.04929	4.8
133.06522	1.4
135.11687	21.4
137.05986	2.5
137.13237	21.8
139.11169	9.2
143.08531	1.8
145.04951	13.5
145.06430	2.3
147.04410	2.3
147.08044	1.9
149.13245	6.8
151.14816	3.9
153.12744	11.8
161.05997	3.7
171.04398	1.8
171.08038	1.6
173.05945	3.4
177.16368	100.0
178.16681	3.9
179.07074	1.3
185.06017	1.8
187.07613	2.3
195.17421	37.2
196.17769	2.7
213.18472	48.2
214.18968	2.8
245.30350	1.4
273.14877	2.6
283.13382	2.3
301.14377	3.7
361.10214	1.6
375.18024	7.6
375.23389	3.7
376.18030	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.05494	0.6
60.04505	1.1
69.03423	3.4
70.06589	0.9
71.73865	0.4
72.08128	2.7
78.34023	0.5
81.03411	3.5
83.01357	0.6
84.08134	2.3
85.02910	4.2
86.09688	3.8
87.00827	1.6
91.99042	0.5
93.85748	0.5
97.02894	1.3
99.04434	0.7
105.01828	0.7
109.02857	3.0
111.62856	0.5
120.08096	0.6
127.03902	100.0
128.04260	1.4
129.10231	1.8
137.05948	1.4
143.11810	0.6
145.04918	1.6
159.02867	1.5
161.96706	0.5
163.03947	0.5
181.81602	0.5
186.63107	0.5
200.13943	0.9
205.11929	0.6
231.04938	0.7
340.27347	0.5
375.11996	0.9
375.16379	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.5
56.96564	4.3
57.03438	6.1
58.99860	4.7
61.02918	3.8
69.03432	5.6
70.02937	1.7
70.06590	6.1
70.99850	2.7
71.01348	1.6
71.04974	3.5
71.72855	2.2
72.08149	2.7
73.01408	1.7
73.02903	6.8
77.00906	4.3
81.03416	1.4
82.99850	2.1
84.04481	1.6
84.08127	7.9
85.02901	12.2
86.09705	4.3
86.99339	1.7
89.00883	1.7
91.02448	5.9
95.01965	1.6
96.00803	1.8
97.02881	4.6
98.97571	5.1
101.00877	28.1
103.02446	2.6
105.00368	2.6
109.03504	2.0
113.00856	2.6
113.03481	33.7
115.02425	13.1
115.03941	2.7
116.02466	1.1
116.98592	1.2
119.01907	100.0
119.86346	1.0
120.02006	4.5
121.01668	1.1
126.98799	4.4
127.03937	3.1
128.98598	1.4
129.03992	3.3
129.10231	3.5
131.01892	20.6
132.80992	1.4
133.03455	43.4
133.04913	5.6
135.05072	2.3
137.02933	15.2
138.03072	1.0
141.00333	1.6
142.03522	3.7
143.01857	9.6
144.99825	37.0
145.03438	12.5
146.00052	1.7
147.01367	7.2
147.05040	4.2
149.02939	11.7
151.04509	6.4
154.94173	4.4
154.98108	1.1
155.01872	2.4
156.05019	1.5
157.03487	4.1
159.01382	11.7
159.05060	1.7
161.02934	21.3
163.00882	7.8
163.04523	4.7
167.04005	2.7
168.99802	22.5
171.01361	8.5
171.05017	1.2
172.95264	10.3
172.99348	11.7
173.00850	1.5
173.01425	1.6
173.02924	13.6
175.00856	9.2
175.04492	2.7
177.00972	1.4
177.02444	23.7
178.02573	1.2
179.04021	1.4
182.03265	1.8
185.02962	4.2
187.00862	47.9
187.04207	1.5
188.01038	2.2
189.02165	13.4
189.03697	6.8
189.06012	1.2
190.96292	3.8
190.98730	1.6
191.00343	11.7
191.04012	10.8
192.00562	1.2
193.02002	5.0
193.03639	1.2
195.03517	4.3
196.04482	2.1
196.54634	1.3
196.99263	6.5
197.02986	1.4
197.04724	1.1
199.00870	16.0
200.04266	2.0
201.02426	13.3
203.00404	2.7
203.03941	3.9
205.00119	1.1
205.01932	19.1
207.03558	6.0
210.02454	2.6
211.00909	2.4
212.98813	4.2
213.03555	2.2
215.00351	42.1
215.03674	1.9
216.00595	2.9
217.01924	30.4
219.01770	1.5
219.03532	18.2
220.03737	1.4
221.05089	5.7
223.02997	7.0
224.98804	2.9
225.03601	2.5
227.00380	7.0
229.01921	16.6
230.02267	1.4
230.99829	5.2
231.03465	2.6
233.01396	3.3
235.03001	2.4
237.02689	1.8
237.04797	1.8
238.02094	1.5
239.01549	2.1
240.03571	1.9
242.05170	1.4
242.99887	7.0
243.04567	3.6
244.04608	1.1
244.97421	2.3
245.01468	11.0
245.05064	6.4
247.02982	46.7
248.03140	2.4
249.04517	1.6
251.02496	4.3
254.99834	9.7
257.01697	3.3
258.99289	2.1
259.02783	5.4
261.04550	1.9
263.05823	1.4
265.04062	16.5
266.99918	1.9
269.01343	1.9
270.04501	2.7
270.99899	1.2
271.03168	2.0
272.06595	2.6
273.00912	15.3
273.03659	1.9
275.02460	6.0
277.03824	5.3
279.05695	2.4
282.99387	1.8
283.05130	2.0
285.00974	4.5
285.05692	1.8
287.02655	6.8
287.05347	1.2
289.00497	2.6
289.04172	3.0
291.02057	1.7
296.02567	1.5
299.03232	2.6
300.96378	4.2
301.00372	13.4
303.02029	3.9
305.03528	6.0
315.01901	35.3
316.02191	2.0
317.03638	2.9
317.07181	1.5
319.01492	4.8
333.03009	23.9
343.01401	18.5
345.02979	2.1
347.04666	1.6
353.04633	1.5
356.04575	2.3
361.02502	15.4
373.51065	1.2
375.04019	7.3
375.23370	6.3
381.04279	1.5
384.04092	1.4
393.05283	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.6
67.55687	0.3
69.59885	2.0
70.06556	0.4
72.79462	0.3
80.78297	0.2
83.08583	0.3
84.04484	1.4
84.08117	0.5
85.02877	0.5
86.09694	7.8
91.05450	0.3
96.51196	0.3
97.06438	0.4
97.78262	0.3
98.98449	2.9
102.05497	0.9
118.06523	4.4
119.27544	0.3
124.99984	9.2
130.06491	0.3
132.08046	1.3
132.10197	1.3
133.08842	0.7
134.09601	0.4
138.37337	0.3
144.08057	7.5
145.08676	0.3
146.09587	1.2
158.09630	3.5
159.10414	1.3
160.11162	0.6
162.09106	2.3
165.05560	0.4
172.11183	2.1
176.10788	1.8
176.14326	18.4
177.11414	0.6
177.14658	0.7
186.12691	0.4
190.12248	1.8
197.12801	0.5
202.15881	42.5
203.16200	2.0
211.15338	0.4
215.13895	2.2
220.16936	100.0
221.17290	4.4
243.13397	2.6
300.13531	8.9
301.11786	0.4
356.16345	0.4
374.17242	15.9
375.17621	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01869	3.7
56.05033	0.6
57.03431	2.4
61.02927	2.6
63.83620	0.5
65.03934	2.3
68.99793	0.9
69.03419	14.7
69.07064	0.9
70.06566	1.4
70.22501	1.7
71.04993	2.3
72.08139	0.7
73.02905	3.8
81.03410	8.8
83.01325	0.5
83.06078	0.8
83.58985	0.5
84.03992	0.6
84.04499	10.5
84.08125	0.7
85.02896	42.4
86.09695	29.6
87.00820	15.8
87.04478	0.6
87.10036	1.2
91.05470	100.0
92.05802	1.4
92.06346	0.5
95.04959	0.7
96.04502	0.8
97.02881	14.6
98.06042	0.8
98.20753	0.6
99.04431	5.6
101.02351	0.6
102.05544	3.3
103.03944	1.5
105.01855	30.0
105.07014	1.9
108.04483	2.3
109.02869	13.6
113.07126	0.9
115.03934	1.1
117.01839	0.9
119.04998	0.6
119.08584	0.5
125.02256	0.6
126.05539	0.7
127.03903	32.2
128.04256	0.6
129.01814	2.8
129.06865	1.2
129.10269	0.7
132.10193	9.9
133.06458	1.6
135.04424	2.1
137.05980	0.7
141.06596	1.3
143.08563	0.8
145.04956	15.7
145.06464	2.1
147.02861	2.1
149.05940	2.0
151.03928	1.1
153.06932	0.6
157.06503	1.2
159.02882	7.4
163.03931	2.0
170.11829	1.2
171.08040	1.1
173.86346	0.5
175.07547	1.9
177.05457	2.0
181.06470	0.9
189.04030	2.9
195.06548	1.5
197.12868	6.4
199.07521	1.5
208.99876	0.5
213.03954	1.3
215.13907	8.8
217.08548	1.3
225.12352	2.1
231.04967	10.3
243.13420	2.2
245.18600	1.0
248.07599	1.1
249.06003	2.4
272.24396	0.5
321.09668	0.8
321.53729	0.5
327.23950	0.5
336.58832	0.6
374.22040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49581	0.4
55.05469	0.6
57.03412	1.2
61.02906	1.9
69.03426	3.2
69.73161	2.4
69.73591	1.3
70.06573	1.6
71.04922	0.7
72.08121	2.3
73.02890	0.9
79.05457	0.5
81.03398	2.0
84.04482	1.6
84.08136	3.2
85.02887	13.9
86.09697	2.6
89.03908	4.1
89.22871	0.5
91.03928	0.6
91.05464	1.5
93.07011	0.7
95.08568	0.7
97.02864	4.5
97.70798	0.5
102.05522	0.6
109.02856	1.0
113.86160	0.5
117.03356	13.6
119.04913	0.9
125.05975	0.6
127.03909	3.3
129.10217	1.6
134.03627	0.9
135.04379	2.7
135.90555	0.5
145.02820	36.7
145.04919	3.3
147.04382	1.8
149.05940	5.7
153.05412	1.0
162.03162	0.5
163.03838	3.0
169.95778	0.6
177.05438	100.0
178.05821	2.6
180.08630	1.7
186.05493	1.1
195.06493	45.8
196.06902	0.9
238.00168	0.5
374.13687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.4
57.07063	9.6
67.05513	27.9
69.07054	15.4
70.26930	17.7
71.04938	4.4
77.83966	4.2
79.05489	26.4
81.07044	43.0
83.04971	13.7
83.08613	6.4
85.06530	8.7
91.05434	33.0
93.07034	100.0
95.04961	10.9
95.08591	56.3
97.06516	26.3
103.05449	6.7
105.07011	50.0
107.08591	38.7
107.99708	4.1
109.06490	11.0
109.10152	29.3
111.08082	5.7
117.07012	13.8
119.08561	71.0
121.10125	42.2
123.08070	9.1
123.11718	8.7
128.06171	8.8
129.06981	9.7
130.07744	4.5
131.08554	28.5
133.10123	53.5
135.08096	6.6
135.11682	17.8
137.09566	6.4
139.07507	59.3
141.06987	7.0
142.07799	9.5
143.08516	25.8
144.09326	8.8
145.10129	38.8
147.06464	5.7
147.11671	20.9
149.09648	5.6
149.13248	6.4
152.93738	4.1
155.08534	6.4
156.09337	6.9
157.10176	33.8
159.11665	33.0
161.09602	6.8
161.13242	7.1
165.06993	4.2
169.10146	9.2
171.11700	17.9
173.13216	24.6
175.14832	18.0
181.10039	4.7
182.10918	6.7
183.11670	18.9
185.13194	14.7
187.10957	4.5
187.14763	17.5
193.10181	5.8
195.11700	14.8
196.12593	5.4
197.13255	13.0
199.14809	7.2
201.16368	5.6
201.78149	3.8
207.11554	7.0
209.13200	10.2
211.14713	5.5
213.12769	11.1
223.14716	5.6
225.16402	5.3
235.14738	4.6
237.16589	4.5
239.17891	4.2
243.23895	4.1
265.19354	6.4
268.26114	4.3
285.01108	4.6
335.23523	5.3
353.24567	6.4
371.25790	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1642
Annotation	6',7'-Dihydroxybergamottin
Peak:m/z	Relative Intensity
50.91102	1.6
53.03927	3.6
55.01863	2.9
55.05501	5.6
57.03427	4.1
65.03925	4.4
67.05499	49.4
69.03411	3.1
69.07059	11.4
71.05003	3.6
71.05394	3.6
71.94287	1.8
79.05488	23.5
81.03407	5.5
81.07059	11.3
83.04958	4.8
83.08620	1.9
88.80524	1.7
91.05456	13.7
93.07024	8.0
94.05744	1.7
95.04958	70.6
95.08591	1.8
97.06523	100.0
102.44166	1.7
104.04712	1.7
105.07036	9.1
105.07630	1.8
107.08564	3.8
109.10146	4.1
115.05459	3.8
119.08563	6.6
120.02510	2.1
123.04420	2.1
128.06250	3.4
129.06972	5.4
129.47713	1.7
130.39397	2.1
131.08553	4.7
133.10124	7.7
135.04408	2.5
141.06958	4.6
143.04919	2.0
143.08513	2.7
147.04398	2.5
147.11699	6.3
157.06511	3.8
157.10126	3.6
159.04378	2.6
159.11649	3.1
161.02333	5.2
161.05965	5.7
163.03885	13.3
165.05563	2.3
165.07043	2.8
167.08636	2.5
169.06520	2.0
173.02364	7.1
173.05936	4.5
173.09599	3.0
175.03970	2.5
175.07539	2.3
175.11191	4.2
176.11906	5.6
177.12662	2.7
181.06491	2.4
183.08067	2.1
184.05232	2.9
185.05984	8.0
185.09619	3.5
187.03876	10.8
187.07596	3.6
189.09088	6.5
192.88573	1.8
193.12285	2.5
195.08022	5.9
197.06070	2.6
199.03906	4.6
199.07524	10.5
201.05409	2.2
201.09145	2.5
209.09618	2.9
213.05469	13.3
213.09091	8.4
215.07004	3.7
215.10788	3.3
217.08551	2.3
225.05499	5.0
231.06552	9.0
231.10124	3.2
239.07059	3.1
241.08607	5.9
241.12222	7.6
243.06429	5.4
253.08533	2.3
255.10132	4.1
258.08920	1.8
259.05554	2.0
259.09659	7.7
261.11298	3.4
265.12164	2.4
269.08176	2.9
269.11667	2.2
271.13422	2.0
283.13251	4.7
285.11340	2.7
285.14728	2.6
305.10242	10.9
309.14795	5.4
311.12720	4.9
313.14322	6.5
319.13446	1.9
327.15756	8.8
329.13876	4.2
337.14252	20.6
355.15366	53.3
356.15717	2.0
373.16394	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	11.6
55.05496	23.8
57.03421	9.6
57.07058	6.1
60.56786	4.6
63.79913	4.8
65.03917	7.5
67.05497	91.8
69.03416	11.4
69.07061	32.5
71.04987	28.9
71.74604	8.2
72.26401	4.4
73.04721	7.1
77.54482	4.9
79.05479	66.4
81.03389	12.4
81.06603	8.3
81.07050	100.0
83.04965	12.9
83.08641	11.7
85.02914	7.3
85.06528	15.5
87.00817	18.3
90.70233	4.1
91.05456	25.5
91.05869	11.2
93.07028	63.8
95.04953	8.5
95.08592	68.2
95.28675	4.4
97.02899	7.6
97.06528	96.7
97.10143	8.5
105.07020	31.9
107.04930	16.1
107.08586	40.6
109.06487	6.5
109.10143	44.4
111.04453	6.5
117.06983	6.1
119.08569	23.2
121.06502	8.3
121.10137	85.4
123.11703	16.4
125.05979	6.3
125.09624	8.5
129.05493	8.1
129.07014	11.9
131.08563	12.7
133.10127	18.9
135.08002	11.9
135.11674	31.6
137.05945	18.7
137.09624	5.1
143.07010	5.4
145.10115	15.4
147.06483	8.9
147.08025	8.7
147.11649	19.2
149.09598	9.0
149.13217	11.3
151.07574	5.7
151.11116	7.2
155.08574	5.5
158.97398	10.6
159.08012	6.2
159.11682	6.6
161.13316	8.7
163.03983	5.5
163.11145	18.8
168.23392	5.3
171.11766	7.5
173.05968	9.5
173.65768	4.9
175.07501	10.6
175.14772	5.7
177.12758	7.9
181.10080	6.4
183.07980	5.9
185.05971	7.5
185.09660	5.3
185.13446	5.7
187.07500	10.3
201.05234	6.3
203.17952	26.2
213.16391	13.9
216.97684	7.4
217.08574	10.7
221.19009	17.0
229.08699	6.1
231.17548	8.0
234.99002	51.8
239.20122	35.0
247.16888	6.3
248.07426	5.5
249.18523	9.0
253.00063	7.7
257.08035	10.7
258.00488	10.7
266.59189	5.7
268.97772	9.7
285.00882	10.6
285.07565	10.6
287.03616	6.6
293.11438	7.2
300.09961	6.7
325.14542	10.0
326.11728	5.5
339.04901	12.1
341.10416	7.6
343.15506	9.0
349.03552	7.2
353.13690	12.4
355.07059	11.9
371.07629	7.0
371.14777	38.4
371.19901	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1484
Annotation	dihydrocurcumin
Peak:m/z	Relative Intensity
53.03928	1.8
55.01862	11.2
55.05500	3.4
57.03399	1.3
57.64158	1.2
59.68258	1.4
60.77944	1.2
65.03909	4.1
67.05495	6.6
69.03397	3.7
69.07056	3.5
70.92677	1.2
71.74129	1.7
78.04681	1.9
79.05481	8.5
81.03387	2.3
81.07031	4.2
82.04194	2.2
83.04961	2.5
83.08601	1.7
84.04498	6.9
84.08106	2.3
85.02878	3.3
86.09692	16.8
89.03903	3.1
91.05461	9.5
91.05878	2.6
93.07036	6.5
94.04169	1.9
95.04937	8.2
95.08582	4.8
97.02885	2.0
97.06509	6.2
100.11221	3.3
101.05990	1.7
102.05516	6.4
103.05441	25.2
105.06989	7.3
107.04945	13.0
107.08604	3.2
109.06534	2.1
109.10111	1.5
110.03635	1.3
111.04397	3.3
111.08076	3.2
115.05432	4.4
117.03347	3.5
117.06985	2.3
119.04914	2.9
121.06474	14.0
121.10090	1.8
122.03634	4.7
123.04388	5.1
123.05233	1.3
123.08044	2.3
124.05172	2.6
125.05986	2.4
128.06197	14.5
129.05498	2.1
129.06985	45.0
130.04137	2.2
131.04913	24.9
131.08549	2.3
132.05650	1.2
133.02888	1.3
133.06477	6.7
133.10056	2.2
134.03606	2.6
135.04372	4.6
135.11716	1.4
135.65057	1.3
136.05048	1.4
137.05966	33.8
137.09564	1.8
140.04654	2.6
143.08507	1.4
144.05617	1.4
145.06461	4.2
146.03596	2.1
146.07207	2.5
147.04385	8.3
147.06557	1.6
149.05960	29.5
151.03873	4.0
151.07535	11.5
153.05426	1.9
155.05914	1.6
155.07024	3.3
155.08348	1.2
157.06479	34.8
158.07011	1.5
159.04387	5.3
159.08089	1.9
160.05174	2.2
161.05948	12.2
162.06775	1.3
163.03896	4.0
163.07536	12.0
165.05464	2.9
167.07011	42.4
167.08104	1.6
171.06541	3.3
173.05960	1.7
174.06728	14.4
175.07498	6.1
177.05446	65.1
178.05881	2.3
181.04935	40.9
185.05974	9.1
187.07492	5.0
189.05440	2.7
189.07280	2.4
189.09081	36.8
191.06961	3.8
191.08937	2.2
191.10626	15.9
192.07765	5.2
193.08458	2.6
203.06931	1.7
203.08609	2.7
207.08101	2.0
209.09747	1.5
215.08565	3.1
217.08563	27.6
218.07281	5.6
219.08136	3.0
221.08070	4.2
231.07912	2.3
231.09843	1.9
232.08939	1.9
233.09583	5.3
234.06738	1.8
235.07498	3.6
236.08293	1.9
241.08252	1.7
244.15561	3.2
246.06711	4.1
247.07484	3.7
248.08189	1.7
249.09059	2.4
250.09883	2.1
259.09229	2.9
260.08331	1.9
261.09036	12.3
263.07001	3.8
263.10287	1.3
268.97528	1.6
275.06863	2.0
277.08514	4.4
278.09396	4.3
279.10275	3.1
281.07770	1.5
285.00958	3.3
289.08493	5.8
293.11603	8.8
300.13873	1.4
303.10071	2.5
306.08847	2.6
307.09497	5.5
309.10999	1.8
311.12732	2.8
321.11176	15.0
322.11905	3.1
323.08960	2.0
339.12036	2.5
353.13837	5.6
355.07025	1.7
371.14822	100.0
372.15182	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	1.6
57.03433	3.7
61.02909	2.8
66.11259	1.2
69.03421	12.2
69.32196	1.3
70.02920	1.4
70.06569	2.7
71.22934	1.3
71.52254	3.0
73.02893	4.3
73.04745	16.2
74.02428	4.3
80.73881	1.2
81.03399	4.6
84.04467	3.2
84.08141	8.1
85.02382	1.7
85.02897	27.7
91.05789	100.0
92.05714	2.5
93.03693	3.1
94.06562	25.7
97.02885	14.8
98.97547	2.0
99.00836	2.3
99.04414	3.5
101.05970	2.2
104.04947	2.2
105.05808	1.4
109.02863	3.3
109.06817	2.2
114.07331	4.7
118.06548	8.5
119.01876	1.5
119.04913	1.6
120.04441	10.3
127.03857	8.9
129.05489	1.7
129.10208	1.8
131.01898	1.6
131.16103	1.5
136.06166	8.6
136.07561	15.1
137.05962	10.1
143.01878	2.6
145.04964	2.8
146.05991	21.8
147.04407	1.8
147.06416	2.5
150.05508	5.2
158.97247	1.9
160.07596	2.2
161.02986	2.8
163.08647	2.9
165.02803	1.4
167.05527	2.6
169.03409	2.0
170.06020	3.0
173.02916	1.8
174.05612	6.7
179.07025	3.2
184.07594	2.4
192.06537	28.3
196.07610	2.1
209.09186	26.7
218.06537	1.5
219.05014	3.3
234.98947	1.6
236.07121	1.6
237.06006	2.1
244.04268	4.1
245.04993	3.4
250.09372	4.0
251.39310	1.4
266.99814	3.4
268.97824	21.2
269.97894	2.0
270.07434	3.3
270.96039	1.7
272.08255	3.0
272.58322	2.1
283.03043	2.4
285.00906	31.6
286.00937	3.4
286.63666	1.4
297.08008	1.8
299.06274	4.1
303.01953	10.2
304.02039	1.4
318.09656	4.5
348.06976	2.7
355.06909	20.9
356.06781	4.7
371.22919	2.2
373.07977	2.4
381.10339	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.3
56.96561	15.7
57.03413	8.3
61.02919	24.7
61.12290	2.4
69.03402	10.2
69.07036	2.7
70.06586	6.2
70.30765	9.9
72.48242	2.1
73.02896	7.3
73.04742	7.0
81.03410	2.5
84.04478	2.8
84.08152	17.0
85.02886	19.0
86.09697	100.0
91.05794	56.7
97.02877	10.8
98.21401	3.0
98.97576	8.7
110.01282	2.8
110.07162	5.4
113.03443	3.7
114.07330	3.2
115.03929	3.0
115.47861	2.6
116.98589	7.4
118.00986	3.0
119.01863	10.9
127.03891	7.1
128.98549	5.1
131.01888	4.0
131.03497	2.7
132.00760	3.9
132.10193	66.1
134.99641	6.8
136.06165	12.5
139.01535	2.6
141.01244	8.9
143.01884	3.0
145.03410	3.7
146.99600	5.4
148.02029	3.4
150.01749	6.1
157.02562	21.7
161.02985	5.3
165.00703	7.5
168.01877	3.1
175.69296	2.4
177.00914	19.1
182.01474	3.8
185.02936	3.6
188.97054	3.3
189.03590	9.6
191.02353	8.9
192.02892	3.3
193.00182	6.2
198.98523	10.9
203.02429	5.0
205.00102	3.6
205.01807	5.1
206.02611	4.4
207.00121	5.7
208.05518	4.7
208.99574	2.9
212.02547	10.0
213.03487	5.3
216.99640	8.0
218.98119	2.6
219.01907	27.7
221.03233	4.6
223.01067	2.9
225.03558	4.2
226.02345	7.6
229.00459	10.6
229.80167	2.8
232.98221	4.0
233.03522	9.6
235.02837	9.2
235.55208	2.6
237.03040	4.2
240.99741	4.3
242.03630	23.1
242.53879	3.1
247.01436	12.5
250.97334	3.3
251.04514	3.7
258.04764	4.6
259.00995	3.1
263.00610	2.6
268.97766	8.3
283.03027	2.7
285.01062	19.1
287.00897	5.1
292.98526	3.0
299.06064	3.2
303.01953	7.1
303.06689	3.2
328.05432	5.0
329.02042	13.3
346.06570	8.1
347.03128	9.2
355.06784	17.1
370.09216	3.4
370.13455	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	5.7
57.07073	51.0
70.06211	11.6
70.06606	10.7
72.08147	11.8
73.02930	3.1
79.05479	4.3
81.03447	3.2
84.04459	4.2
84.08143	9.2
85.02899	12.6
85.06026	3.9
85.06534	64.4
86.09705	7.0
91.05868	18.7
95.01302	3.9
96.08122	4.5
97.02898	4.4
103.07590	5.6
104.14328	3.2
105.07030	5.0
106.06543	6.0
106.97611	3.0
107.07333	12.2
110.07169	6.6
117.03413	4.9
120.08058	5.4
123.26775	2.7
124.07584	14.0
127.03907	4.6
129.10362	2.8
131.08600	2.8
134.06087	3.8
141.01823	16.6
145.02853	7.8
146.03156	8.0
148.07587	11.1
150.03151	3.0
152.07062	12.3
159.02893	2.6
159.10162	100.0
159.11417	6.1
164.07118	3.0
166.08630	45.1
177.05469	17.4
177.11200	55.1
178.05832	15.4
194.08197	5.5
205.06664	3.7
209.04460	12.5
212.58594	3.1
264.16013	5.9
268.97672	4.3
282.09708	21.3
285.01028	7.6
310.09186	7.6
329.11142	4.0
342.11841	18.3
352.10074	3.4
355.06903	5.9
355.72556	2.9
370.11420	15.0
371.16165	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	46.4
57.03401	11.0
57.07075	10.3
67.05495	83.1
69.07054	32.4
70.16544	37.1
71.04974	10.2
71.08627	52.6
75.12414	7.4
79.05475	68.8
81.07048	83.7
83.04967	19.4
83.08596	16.2
91.05486	59.3
93.07034	96.5
95.04964	28.9
95.08601	59.9
97.06522	10.7
97.10149	12.2
99.08102	34.5
105.07019	46.3
107.04913	7.8
107.08571	55.6
109.10124	33.2
117.07024	16.5
119.08555	33.3
121.10107	48.2
123.08086	10.1
125.09624	11.3
128.06239	7.3
131.08540	24.5
133.10074	21.1
135.08038	14.6
135.11658	50.6
145.10103	17.1
147.08012	9.4
147.11673	15.4
149.13217	23.1
151.11163	31.7
157.10162	15.8
159.11722	9.5
161.09657	7.6
161.13220	16.1
165.12708	10.2
169.10207	8.1
171.11682	9.3
175.03880	7.6
175.14775	8.6
179.14288	100.0
185.13249	15.0
189.12814	15.6
193.04877	7.5
199.14828	8.5
207.13747	8.3
215.14456	6.5
216.59647	7.2
246.67091	9.1
259.20700	8.9
277.21603	66.6
277.84283	6.3
300.10559	8.0
351.25339	52.8
369.24106	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.242
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
52.14489	3.6
52.29084	3.7
53.03956	5.5
55.01897	4.0
55.05499	22.2
57.03447	10.5
57.05468	3.6
57.07079	8.8
59.05006	6.8
60.38856	3.8
60.47707	4.2
63.89714	4.1
67.05489	37.2
69.03417	4.5
69.07054	23.8
71.04995	17.5
71.44529	8.7
79.05481	28.2
81.03411	4.4
81.07051	39.0
82.26859	5.0
83.04974	8.6
83.08629	16.4
84.04485	8.0
85.02888	4.5
85.06536	30.9
86.51970	4.2
86.71427	4.3
91.05458	38.2
93.07040	36.7
95.04954	100.0
95.08595	34.4
97.06534	22.9
97.10190	5.8
97.72442	4.7
99.04483	4.5
103.03923	3.8
105.07008	48.0
107.08595	43.6
109.02876	4.2
109.06505	20.3
109.10142	31.4
111.04478	4.4
111.08025	4.8
113.06032	5.5
115.05481	6.7
117.07014	21.1
119.08547	52.6
119.09251	4.3
121.06501	7.3
121.10138	20.3
123.08100	17.3
125.09638	6.0
128.06252	10.6
129.07051	10.1
130.04890	4.4
130.07764	4.7
131.08545	44.3
131.09447	5.1
133.06459	5.1
133.10130	40.2
135.08046	27.2
135.11705	10.8
137.09662	12.9
141.06973	8.0
142.07787	13.5
143.08521	29.1
145.10115	34.0
147.08075	19.1
147.11722	17.2
149.09630	17.8
151.07526	4.1
151.11201	6.2
153.07060	5.4
154.07771	4.7
155.08569	9.2
156.09367	13.5
157.10097	40.6
158.10808	5.5
159.08064	12.6
159.11667	24.9
161.09589	35.0
161.13211	10.1
165.07019	6.8
165.09169	5.4
167.08572	10.3
168.09306	5.8
169.10164	18.1
170.10939	10.3
171.11655	30.2
173.09679	18.4
173.13284	16.5
175.11211	11.7
175.14841	5.8
177.09076	5.2
179.08565	9.5
180.09369	5.4
181.10173	13.9
182.10898	6.1
183.11685	30.7
185.09636	9.4
185.13329	16.1
187.11240	7.9
187.14761	4.6
189.12764	13.0
189.59512	4.4
193.10124	11.2
194.10887	6.4
195.11661	19.3
197.09732	6.8
197.13301	18.4
199.11209	9.0
199.14789	8.2
201.05515	6.8
201.12813	5.2
203.14351	14.5
207.11748	8.3
207.13612	6.5
208.12535	10.5
209.13322	19.0
211.11324	6.1
211.14870	12.3
213.12801	15.3
215.10672	6.2
215.14346	11.6
217.15862	4.8
221.13358	7.9
221.15431	14.3
223.14795	11.6
225.16338	10.8
227.14232	5.7
229.15825	4.7
231.11813	4.3
233.13295	6.7
233.15459	7.2
235.14798	12.7
237.12590	5.7
241.15932	12.5
249.16498	7.5
251.14331	8.2
251.18073	8.8
253.15912	10.2
267.17392	10.0
269.15274	8.9
269.19153	8.5
270.18729	4.7
275.18021	4.9
277.21597	5.2
291.21082	6.3
293.19064	12.5
295.16971	5.9
309.22125	11.8
311.20117	16.1
325.49026	5.8
327.23041	5.5
333.22214	15.9
351.22971	45.4
369.24155	83.8
369.28326	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.242
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
55.01865	5.9
55.05500	15.6
57.07058	14.9
59.04998	6.3
63.62408	3.5
67.05497	31.1
69.03401	9.9
69.07063	11.6
69.85098	22.4
71.04986	10.6
73.64183	3.7
77.00083	4.1
77.62083	3.9
79.05472	21.7
81.07036	32.9
83.04957	9.8
83.08628	6.6
85.02886	5.6
85.06535	22.8
88.29801	4.0
90.94828	4.6
91.05460	31.0
93.07022	28.2
95.04959	46.4
95.05521	6.3
95.08596	21.1
97.06521	18.9
98.20779	8.8
105.07032	38.5
107.08570	31.4
109.06511	25.3
109.10165	21.4
111.08095	7.9
117.07008	9.7
119.08550	35.1
121.06502	10.3
121.10167	17.7
123.08064	16.1
128.06204	6.3
129.06976	14.0
131.08572	40.7
133.06435	6.7
133.10114	23.2
135.08057	18.7
135.11705	7.1
137.05988	10.1
137.09610	11.9
142.07779	15.5
143.08572	21.3
145.10085	38.8
147.08040	13.1
147.11638	20.6
149.09624	15.1
151.07605	7.0
155.08565	7.4
155.10519	4.7
156.09322	15.6
157.10117	32.5
158.10954	4.9
159.08031	6.3
159.11641	19.9
161.09621	20.5
162.17062	4.4
163.11127	5.8
168.09277	4.9
169.10094	17.1
171.11699	23.9
173.09576	11.7
173.13243	9.8
175.11118	21.6
179.08553	5.1
180.09370	5.8
181.10127	10.7
181.12239	7.6
183.11723	18.8
185.09607	9.7
185.13339	9.0
187.11255	10.6
189.12758	18.5
191.14279	4.3
193.10164	6.9
193.12219	9.3
195.11697	12.2
197.13246	15.0
199.11241	7.3
199.14789	9.8
201.12776	11.2
207.11760	7.3
207.13773	7.2
209.13255	10.5
211.11208	7.0
211.14749	8.9
213.12756	13.9
215.14348	8.7
220.12653	5.1
221.13234	6.6
223.14819	10.5
225.16377	9.2
227.14325	6.4
233.15318	7.7
235.14709	9.9
249.16319	6.1
251.17964	7.3
253.15720	7.3
267.17291	9.1
269.19000	6.1
271.17032	5.8
286.19308	9.5
291.21036	7.1
293.18808	9.0
309.22040	7.7
311.20029	14.6
351.23047	30.9
369.24149	100.0
369.31409	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.1
55.05517	7.1
57.03424	2.8
57.07062	3.5
60.03282	2.4
61.01139	5.3
67.05496	13.8
69.03424	4.4
69.07065	6.3
70.92790	5.2
71.04982	5.1
72.04509	7.5
72.94391	2.3
78.03787	12.7
79.05479	12.6
81.07056	16.7
83.08626	3.8
84.04503	3.8
91.05479	15.4
93.07036	11.5
95.04948	8.3
95.08611	12.6
97.06543	6.8
102.03753	8.7
105.07052	13.1
107.04935	7.2
107.08573	6.1
108.05766	3.1
109.06522	4.8
109.10158	7.0
114.03680	2.6
117.07014	5.9
119.08550	8.7
120.04791	5.5
121.06495	3.8
121.10114	5.9
121.59291	2.2
123.08077	3.0
124.05177	2.4
128.06190	3.4
129.06976	6.1
131.06422	3.3
131.08604	6.2
132.04803	6.4
133.10138	6.3
135.04398	4.0
135.11697	3.7
136.05153	9.1
139.07608	2.7
142.07733	4.0
143.08549	7.6
145.10115	6.2
147.08076	3.9
147.11667	4.9
149.07405	19.4
149.09578	3.9
151.07533	100.0
151.08739	4.8
153.09081	4.6
157.06506	4.6
157.10156	5.7
158.07254	6.8
159.08064	5.3
159.11690	6.7
161.09619	3.5
165.05522	3.6
165.06931	3.3
165.09109	8.3
171.11598	3.0
172.08792	3.9
173.05963	5.7
173.09444	2.8
174.06717	7.9
177.09192	4.4
177.12747	6.9
179.07053	9.3
179.14345	3.4
185.13254	5.2
188.08366	11.7
189.09128	23.8
189.12782	2.9
191.07010	7.2
191.10785	3.2
193.08554	4.9
195.07985	3.6
201.09085	33.3
203.10683	13.2
203.14284	5.8
209.05995	3.3
210.06834	3.3
211.07683	3.1
213.09177	4.4
215.08691	3.6
221.15321	3.5
224.08345	11.7
225.09073	12.2
229.12218	2.8
231.10112	18.4
240.07863	7.1
241.08665	11.8
244.08730	2.5
245.09631	4.3
253.08598	8.3
254.09433	3.8
255.10121	24.8
261.09073	8.0
262.09869	7.5
265.08578	3.1
266.09369	3.3
267.10223	7.8
268.10861	21.2
269.08145	9.9
275.10663	4.4
276.11517	4.1
277.08673	4.0
277.12076	7.2
277.21661	3.3
278.09351	4.1
281.11847	3.4
283.09595	18.2
284.10397	15.8
289.08813	4.3
289.12219	11.3
290.08984	3.9
291.09952	3.1
292.10907	3.8
292.19101	16.4
293.11667	9.6
295.09714	4.1
295.21906	2.7
298.11954	71.1
299.12711	38.5
304.11121	2.7
305.11630	23.8
307.13190	3.2
308.13861	4.2
309.11295	4.3
311.12753	16.4
319.13290	9.5
320.14038	32.9
321.11121	8.3
321.14536	4.9
324.13562	11.3
324.46170	3.3
325.14709	5.2
336.13513	9.2
339.15903	11.1
351.15906	43.4
369.16956	23.7
369.22144	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1517
Annotation	Drosopterin
Peak:m/z	Relative Intensity
51.02389	0.5
53.10016	0.5
55.05503	0.5
56.96547	0.9
57.03416	0.8
60.79970	0.4
67.05501	0.6
69.03411	1.0
70.06577	1.5
70.55403	1.7
72.08155	0.6
81.03358	0.6
81.07043	1.0
84.08122	1.4
85.02886	2.1
91.05450	1.3
91.18154	0.5
93.07024	0.5
97.02888	1.7
98.21275	0.5
98.97553	0.9
107.08576	0.5
109.02818	0.5
109.06525	0.8
116.98639	0.8
117.03364	1.8
119.08559	0.7
120.08122	0.7
123.08084	0.5
129.10193	0.7
136.07629	0.6
137.09569	1.4
145.02824	5.1
147.04396	0.5
149.05983	1.0
166.08594	0.7
177.05460	10.4
207.02953	1.0
207.09900	3.8
207.13814	0.9
237.02780	0.7
266.95657	0.5
327.07526	2.1
369.15179	100.0
370.15573	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1178
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
69.89266	4.3
83.04978	1.2
85.02901	1.8
89.03917	7.4
91.05453	0.8
95.04939	0.8
98.21432	1.0
105.07030	0.6
109.10161	0.7
117.02541	1.3
117.03370	23.1
123.11708	1.7
123.46109	0.6
134.03610	1.8
135.04399	1.1
144.39226	0.6
145.02831	53.9
146.03127	1.1
149.05981	8.0
163.03886	0.8
177.05455	100.0
178.05797	2.7
186.05476	1.0
207.13815	1.7
261.00055	0.6
350.45279	0.6
351.17975	0.8
369.15125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.1
57.03426	1.1
61.02918	1.2
66.98306	1.1
67.05493	1.8
69.03413	3.3
69.07070	1.3
70.06579	2.9
71.04989	1.3
71.09229	2.5
72.08128	1.3
79.05476	2.2
81.03392	2.4
81.07045	1.8
83.04972	1.7
84.04469	1.8
84.08119	1.9
85.02873	5.0
86.09699	3.2
89.03903	8.4
91.05473	4.9
91.35403	1.2
93.07011	1.1
95.01305	1.1
95.04961	3.2
95.08582	1.3
97.02885	2.0
99.04432	1.2
105.07023	2.9
109.02816	1.9
109.06506	2.4
109.10119	2.4
110.07157	1.2
117.03346	6.4
119.04887	2.3
119.08586	1.7
120.08094	1.6
121.06513	1.9
127.03899	1.7
134.03621	4.0
135.04416	7.9
135.08029	1.7
136.07622	1.3
137.05913	1.2
137.09570	1.1
145.02812	3.0
145.04846	1.2
145.10060	1.5
147.04388	6.4
147.08052	1.5
147.11613	1.4
148.04764	5.0
149.05995	10.8
149.77722	1.0
150.06310	1.4
151.07500	1.5
161.06003	1.5
163.03886	13.3
165.05466	2.8
165.09035	1.0
166.05804	2.5
171.11604	1.4
175.03917	1.6
177.05449	100.0
178.05826	2.1
189.12749	5.1
191.10533	1.0
191.14230	1.3
207.06491	3.5
207.13754	5.1
242.28192	1.1
271.04227	4.0
289.05234	8.5
369.14734	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50730	0.3
51.54731	0.3
53.03947	0.5
55.01862	0.7
57.03412	0.4
61.02905	1.1
63.80106	0.4
64.16839	0.4
67.68516	0.4
69.03418	2.3
69.82530	2.9
73.02922	0.5
75.95036	0.4
81.03403	1.5
82.87759	0.4
85.02889	6.0
86.09669	0.4
97.02892	2.0
99.04477	0.7
109.02858	1.2
110.81482	0.4
116.98557	0.4
127.03884	1.1
132.04431	6.6
133.32190	0.4
134.33778	0.4
145.04909	0.7
146.06009	0.4
147.04395	0.4
163.03833	0.6
178.04971	63.0
179.05322	1.4
189.07394	1.4
206.04460	100.0
207.04851	3.8
231.08397	0.4
368.09964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	1.0
57.03404	0.9
62.65884	0.8
67.05482	1.9
69.03401	3.1
69.07051	0.9
70.06563	2.6
71.04984	1.1
71.74091	1.2
72.08130	1.3
77.03933	0.8
79.05481	1.5
81.03396	1.4
81.07025	1.7
83.04948	1.8
84.04480	1.8
84.08122	1.6
85.02897	5.2
86.09676	1.5
89.03363	1.2
89.03887	10.6
91.05456	2.9
93.07043	1.2
95.04952	3.1
97.02855	2.5
105.07011	2.6
105.50858	0.9
107.08598	1.9
109.06501	2.3
109.10140	1.5
111.08045	0.9
115.43433	0.7
117.03363	7.5
119.04927	2.1
119.08542	1.7
120.08069	1.0
121.06488	1.4
121.10098	1.0
123.08023	1.1
127.03891	1.5
133.06535	0.9
133.10149	0.8
134.03587	2.6
135.04381	7.1
135.08087	1.2
136.07570	0.8
137.09576	1.1
141.01913	0.9
141.06903	1.1
141.40442	0.8
145.02840	4.2
145.10124	1.3
147.04401	5.0
147.07996	0.9
147.11649	2.3
147.12862	0.8
148.04735	5.7
149.05940	10.9
149.09529	1.0
151.11137	1.7
156.09340	1.0
161.09601	1.1
163.03876	13.1
163.11136	1.3
165.05444	2.6
166.05795	3.7
171.11716	1.4
175.04108	0.7
177.05440	100.0
178.05811	1.9
179.03477	0.8
179.10667	1.3
189.12749	6.5
207.06326	1.1
207.13751	8.0
217.15685	0.9
232.26492	0.9
271.04211	3.7
289.05319	4.6
351.17999	1.0
369.15344	4.5
369.18890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.1
56.96547	1.2
57.80057	1.2
65.03917	1.5
67.05489	1.3
69.03415	3.4
70.06576	3.2
71.31934	2.6
72.08144	1.3
72.86147	1.1
81.03382	1.4
83.04958	1.6
84.04490	1.0
84.08101	1.7
85.02890	3.1
86.09664	2.1
87.92144	1.0
89.03900	2.5
91.05492	7.4
95.01315	4.4
95.04970	2.1
97.02892	9.9
105.07045	1.5
110.07205	1.5
113.02382	6.7
117.03326	2.5
119.04939	17.3
120.08074	4.8
123.00773	8.0
123.04356	1.3
125.02324	1.2
129.10170	1.4
135.04405	1.9
137.02312	1.0
138.36320	1.2
141.01768	5.4
143.03392	4.7
147.04398	100.0
148.04736	2.9
149.05972	3.8
151.79977	1.1
154.14241	1.2
163.03908	4.3
165.05469	54.8
166.05812	1.3
169.01283	6.2
177.05460	30.0
187.02380	1.9
189.29965	1.1
191.39598	1.1
194.05800	1.3
207.13855	1.3
234.80721	1.2
271.04294	1.5
289.05176	3.3
297.46216	1.2
345.23135	1.2
379.58112	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29933	1.0
61.02915	1.2
65.03932	1.4
67.39108	1.0
69.03417	4.6
70.06580	3.8
70.41682	4.1
71.38586	1.3
72.08144	1.7
77.18640	1.0
80.10825	1.0
81.03394	1.3
81.07060	1.4
84.08118	1.0
85.02891	5.4
89.03911	3.5
91.05470	8.8
91.44550	1.0
93.07020	1.1
95.01320	4.9
95.04975	1.3
96.72561	0.9
97.02879	8.6
98.97577	1.2
105.01984	1.2
113.02356	5.7
116.07102	1.4
117.03386	1.4
119.04933	17.4
120.08094	3.5
123.00772	7.1
125.02312	1.2
125.61050	1.1
135.04402	2.7
141.01796	4.3
143.03427	2.6
147.04388	100.0
148.04767	3.6
149.05980	4.4
163.03853	4.8
165.05460	61.9
166.05829	1.6
169.01317	5.6
177.05450	29.9
187.02310	2.6
189.12967	1.1
194.05763	1.8
207.13812	1.9
271.04218	2.8
289.05322	2.1
356.91565	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01866	3.5
55.05508	23.2
57.07067	6.9
59.04984	3.9
65.03944	4.2
67.05494	40.1
69.03423	5.1
69.07049	19.8
70.01601	16.1
71.04994	7.7
79.05479	41.6
81.07048	50.3
83.04987	6.4
83.08620	8.8
85.06526	5.5
91.05463	52.9
93.07035	83.9
95.04954	37.4
95.08591	48.3
97.06518	17.0
97.10177	2.5
101.76936	2.4
103.05456	3.4
105.07017	90.9
107.07898	4.7
107.08582	65.2
109.06522	15.2
109.10146	39.0
109.77560	2.4
111.08060	5.2
115.05447	6.4
117.07003	23.2
119.08566	100.0
121.06493	8.8
121.10121	48.0
123.08079	6.9
123.11692	14.5
128.06212	9.4
129.06979	17.1
130.07773	9.3
131.08548	58.2
131.09450	4.7
133.10117	62.4
135.08040	14.8
135.11685	22.7
137.09586	7.3
141.06999	7.9
142.07770	22.1
143.08548	39.3
144.09323	12.1
145.10118	62.3
146.07214	6.4
147.08014	9.1
147.11667	23.5
149.09622	15.3
149.13272	5.8
153.06963	3.0
154.07758	2.5
155.08476	15.2
156.09338	12.7
157.10112	44.3
158.10823	6.4
159.08051	4.3
159.11665	34.6
160.12392	2.8
161.09602	41.7
161.13245	6.3
163.11174	5.5
165.07040	3.2
167.08592	8.3
168.09322	3.9
169.10088	24.1
170.10907	5.1
171.11685	24.6
172.12520	3.6
173.09605	9.6
173.13242	24.9
175.11139	10.0
175.13583	2.9
175.14809	16.1
177.12859	2.6
179.08524	7.6
180.09233	3.3
181.10098	13.9
182.10883	5.9
183.11649	21.8
184.12344	5.1
185.09644	4.8
185.13228	15.0
187.11127	4.0
187.14783	14.1
193.10077	5.7
194.10876	8.3
195.11708	12.6
196.12425	3.8
197.13229	18.1
199.14795	12.2
201.12720	4.3
201.16382	4.9
207.11691	6.2
209.13225	24.2
211.12936	2.9
211.14859	10.4
213.12646	3.2
213.16272	5.8
217.25185	2.9
219.11723	3.8
221.13235	3.7
223.14838	6.6
224.15604	3.2
225.16362	6.0
227.14270	16.2
237.16347	5.2
239.17894	9.9
251.17909	3.6
253.19670	3.9
255.17320	3.8
257.19040	3.1
265.19424	7.0
267.17474	3.6
269.18967	7.2
275.17792	3.5
293.19006	3.1
349.25204	7.6
367.26218	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.0
55.05501	26.6
55.05717	4.5
57.07060	10.9
59.04990	9.4
63.49821	4.0
64.40302	5.5
65.03910	6.0
67.05497	49.6
69.03431	8.3
69.07058	32.2
69.82004	25.0
69.82409	7.9
79.05479	41.2
81.07044	69.2
82.04853	4.0
83.04981	9.2
83.08601	10.2
85.06511	11.3
89.68480	5.0
91.05451	48.1
93.07034	81.6
95.04961	43.0
95.08600	68.2
97.06484	14.3
99.08092	7.2
105.07021	91.1
107.08576	67.5
109.06492	18.1
109.10154	43.2
111.08016	5.6
115.05452	6.7
116.06239	5.8
117.07018	22.9
119.08572	100.0
121.06468	8.6
121.10126	46.3
121.15434	4.6
123.08012	8.9
123.11716	22.3
128.06216	12.6
129.06999	15.9
129.17622	4.6
130.07745	7.2
131.08557	61.2
133.06465	5.5
133.10136	60.9
135.08028	20.7
135.11668	32.6
137.09578	8.5
141.06985	8.5
142.07797	24.1
143.08559	41.7
144.09340	10.5
145.10106	75.7
147.08072	11.4
147.11656	24.3
149.09572	19.4
154.07829	6.6
155.08560	15.4
156.09319	16.7
157.10138	50.4
158.10805	9.2
159.08095	7.1
159.11678	39.2
161.09616	52.1
161.13268	10.0
163.11163	5.1
163.14890	5.5
167.08517	6.0
168.09286	9.1
169.10153	22.8
170.10930	7.5
171.11682	35.1
172.12384	6.7
173.09578	9.4
173.13255	31.9
175.03778	5.7
175.11186	9.5
175.14844	22.2
179.08551	9.8
181.10081	12.3
182.10857	8.5
183.11668	23.6
184.12433	6.8
185.09654	9.1
185.13274	23.0
187.14792	18.5
189.12685	5.2
194.10918	12.2
195.11670	14.6
197.13234	16.2
199.14821	14.3
201.16350	6.1
207.11465	4.7
209.13220	26.0
210.13998	5.4
211.14722	9.4
212.63272	5.6
213.12825	5.7
213.16335	8.7
215.17938	10.5
221.13126	6.4
225.16254	4.8
227.14195	12.3
235.14780	6.9
239.17868	7.9
265.19443	5.8
343.58032	5.3
349.25488	9.4
367.25922	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
53.51992	1.3
55.01847	5.7
55.05503	22.1
57.03424	8.0
57.07050	2.3
67.05493	23.4
69.03417	3.1
69.07058	20.0
71.08242	2.6
71.08620	43.7
71.74937	2.0
71.76897	1.4
79.05492	17.8
81.03400	9.7
81.07046	22.4
83.04954	5.3
83.08595	7.2
91.05455	8.7
93.07029	12.3
95.04964	8.9
95.08593	11.7
97.06502	1.7
97.10156	11.3
99.08076	35.3
105.07004	9.6
107.04939	3.3
107.08562	12.6
109.06504	2.8
109.10137	7.2
111.04401	1.3
111.08038	2.4
117.06995	4.1
117.42113	1.2
119.08553	5.0
121.06460	3.8
121.10101	5.5
123.08003	3.4
125.09618	11.0
127.65079	1.5
129.06972	2.4
131.08517	4.7
133.06448	2.2
133.10094	7.3
135.07986	2.5
135.11621	3.7
137.09598	1.8
137.13290	1.4
145.10094	2.7
147.11674	1.7
147.76556	1.3
149.09602	3.7
149.13202	2.9
151.11137	2.6
157.10078	2.2
159.07967	1.5
159.11703	3.7
167.10643	4.0
169.10088	1.4
171.11636	2.1
177.12704	3.5
189.11160	6.2
190.27071	1.7
193.12236	1.8
195.13702	2.5
205.19490	1.9
209.46709	1.4
257.18909	1.6
275.19955	9.8
287.88785	1.4
293.21069	100.0
294.21329	3.3
350.26523	1.4
367.24878	28.9
369.77829	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82455	6.7
53.03928	7.4
53.25146	6.5
55.05495	27.1
57.07038	8.2
65.03947	8.6
67.05491	40.0
69.07056	30.8
71.08610	8.1
71.75349	10.3
79.05495	37.3
81.07055	65.5
85.06522	24.6
91.05473	48.0
93.07039	67.7
93.47150	6.0
95.04951	40.0
95.08598	70.0
97.06519	12.5
105.07030	83.9
107.08583	57.2
108.68176	7.7
109.06499	11.0
109.10160	45.8
109.58463	6.9
111.08025	8.2
117.07018	17.4
119.08557	100.0
121.06521	10.7
121.10106	57.4
123.08085	16.2
123.11668	11.8
128.06213	12.4
129.06958	20.1
131.08530	50.9
133.10100	54.4
134.16046	7.3
135.08058	13.1
135.11647	19.9
137.09618	9.8
141.06937	9.2
142.07741	17.9
143.08553	36.9
145.10101	60.4
147.08035	7.7
147.11673	22.0
149.09570	11.8
155.08580	18.9
156.09325	16.0
157.10141	45.0
159.11717	40.7
161.09602	31.9
165.05600	8.1
165.06927	10.4
168.09416	9.0
169.10110	19.3
170.10886	10.2
171.11652	36.9
173.13260	20.9
175.03973	8.5
175.11246	8.7
175.14830	7.7
179.08458	9.3
181.10173	11.2
183.11650	25.0
185.09529	7.7
185.13208	13.5
187.14719	7.6
194.10806	10.8
195.11745	11.4
197.13251	15.0
209.13219	18.7
211.14796	16.0
223.14883	11.9
227.14365	14.7
239.17865	13.5
275.19949	8.8
323.90140	6.9
349.25385	8.9
361.05453	8.9
367.26187	18.8
367.30661	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0207
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38886	0.5
82.99900	0.2
97.30178	0.1
100.69652	0.1
101.00874	0.7
119.01907	7.9
120.01978	0.3
122.97750	0.2
134.99828	0.5
135.99911	0.1
137.01868	0.3
137.02939	4.2
140.98851	0.3
141.80983	0.1
142.03487	0.2
153.00946	0.7
158.99834	0.7
165.99651	0.2
175.03043	0.3
177.00931	21.5
178.01010	1.3
182.99910	0.4
193.04045	0.5
195.01979	0.4
200.02562	0.7
201.00845	1.2
203.40866	0.1
209.99040	0.2
217.04059	3.1
218.04008	0.2
219.01981	26.5
220.02112	1.8
221.02133	0.3
224.02423	0.2
225.00850	2.2
225.02905	0.2
234.99982	0.6
236.00005	0.5
236.99808	0.5
242.03545	1.0
243.01924	5.5
244.02184	0.2
253.01123	0.2
254.01083	0.2
258.99936	0.8
260.00156	1.1
260.04556	0.3
261.03030	100.0
261.99994	0.4
262.03149	5.6
263.03186	0.7
266.03616	0.4
275.04584	0.1
277.00864	1.2
278.01138	1.4
279.01010	0.9
280.01126	0.3
281.00403	0.2
282.99896	1.1
284.00098	1.6
284.04587	6.7
284.99716	0.7
285.04767	0.5
286.99435	0.2
301.00946	2.4
302.01160	4.0
303.00836	1.5
304.01025	0.3
307.06146	0.2
320.02200	0.3
324.02271	0.2
325.01630	0.2
326.01071	0.3
342.01923	0.4
343.02051	1.2
344.02136	2.1
345.01862	0.2
354.51001	0.2
356.50253	0.2
360.99347	0.2
362.03217	0.6
367.02032	1.1
385.03094	4.7
386.03012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23175	0.8
53.03929	2.2
55.01838	1.6
55.05505	27.1
57.03415	1.5
57.07075	3.8
57.85607	0.8
60.08142	3.5
65.03918	2.8
67.05495	66.4
68.05813	1.4
69.03397	0.9
69.07057	31.0
69.43607	6.8
69.44029	1.8
70.07374	1.0
71.04971	3.4
71.08613	1.5
73.02896	2.9
78.22405	0.7
79.05482	13.6
81.07043	66.2
82.07368	1.7
83.04967	2.0
83.08605	12.3
83.88024	1.0
84.33761	0.8
85.06547	1.9
86.09727	1.4
87.94279	0.8
91.05473	6.7
92.05795	1.0
93.06435	0.9
93.07031	15.6
94.07363	1.4
95.04955	3.5
95.08592	50.5
96.05312	1.1
97.06493	2.3
97.10175	4.6
99.04438	3.9
103.05480	0.8
105.07001	7.0
106.05038	1.0
106.07355	1.7
107.08568	8.2
109.06487	2.2
109.10143	18.1
111.08077	1.6
113.06001	0.9
115.19138	0.8
117.07026	0.9
119.08531	5.7
120.08902	1.8
121.10107	5.9
122.10410	0.8
123.08057	1.3
123.11687	6.1
125.09618	1.0
129.06996	0.9
131.08511	2.8
133.10066	4.0
135.11636	3.1
137.09560	1.2
137.13211	2.6
142.07774	0.9
143.08572	1.3
144.08936	1.6
145.10069	2.7
146.10460	1.7
147.11644	1.9
149.13225	1.2
151.14848	1.5
152.08286	0.9
155.08588	1.2
157.10020	3.4
158.10458	1.7
159.11682	2.5
160.12033	1.4
165.09023	2.1
165.16385	0.9
167.08554	0.8
170.10789	0.9
171.11467	1.2
173.13223	1.9
183.11569	0.9
184.12224	1.0
185.13261	2.2
186.13580	2.6
187.11194	1.1
187.14900	1.1
193.10062	0.9
194.10733	1.0
196.12076	1.2
197.13127	0.9
208.12030	1.2
209.13055	1.2
210.13647	1.2
222.13490	1.1
223.14449	0.8
249.16176	1.0
250.16769	0.9
264.18045	1.0
292.20151	0.9
307.26266	95.9
308.26611	3.7
348.26651	1.7
352.15088	0.8
366.26852	12.9
366.33615	100.0
367.33881	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.6
55.01863	9.0
55.05489	11.1
57.03418	11.8
57.44878	6.6
67.05499	28.5
69.03423	47.3
69.07045	17.3
70.06573	13.7
71.04987	14.5
72.90599	6.1
73.02898	9.5
79.05482	7.7
81.03406	40.7
81.07045	27.0
83.04974	9.7
83.08588	8.4
85.02901	100.0
85.06558	9.3
86.09701	8.3
87.00821	34.6
87.04464	6.7
91.05469	17.5
93.07040	19.2
95.08578	7.9
97.02895	42.2
97.06531	8.4
99.04451	19.0
103.79784	6.1
105.01865	43.4
105.07011	25.5
107.08578	25.1
109.02889	27.9
109.06522	14.5
109.10152	53.0
110.07174	8.5
111.95340	6.4
119.08554	7.6
120.08079	10.7
127.03908	74.6
133.02826	16.4
133.10104	58.5
137.05945	15.5
138.05464	7.5
145.04926	23.2
149.09673	6.6
151.11183	65.4
152.84778	6.5
159.02890	15.9
167.10728	10.6
169.12204	72.7
173.12939	6.6
187.13258	7.2
231.05067	14.3
350.13516	11.7
366.18918	15.2
366.22949	9.2
367.08096	15.8
367.15384	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
55.01865	5.1
57.03439	6.4
60.04510	3.2
61.02908	5.6
64.63416	1.0
67.05500	1.5
68.99763	3.3
69.03423	33.4
69.91463	7.1
70.06573	2.1
71.04969	4.5
73.02898	3.8
74.09754	1.1
76.52487	1.2
81.03409	21.0
81.07047	1.2
83.08594	1.8
84.04465	1.1
85.02893	100.0
86.03244	1.3
86.09686	3.2
87.00819	47.6
87.04446	1.7
91.03963	1.3
91.05477	1.2
95.04972	1.2
95.36358	1.2
97.02885	36.4
98.09695	1.4
99.04455	12.5
105.01853	94.5
105.07036	1.7
107.08604	1.5
108.04461	2.8
109.02859	30.0
109.10117	1.1
115.03900	1.2
117.01861	1.9
120.08116	1.7
126.96998	1.1
127.03897	80.5
129.01814	3.1
136.06160	2.4
143.74606	1.0
145.04944	36.7
159.02875	9.4
165.01830	1.3
173.12889	1.2
183.02916	1.4
189.03960	4.5
204.15952	2.3
209.11639	1.3
213.03905	3.3
231.04977	26.0
246.12149	1.0
249.06012	11.1
280.07776	1.2
283.05984	1.9
340.07669	1.2
345.56439	1.2
366.28427	2.7
367.07675	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
54.03880	1.3
55.01871	7.3
55.05493	3.8
57.03422	6.8
61.02901	4.6
67.05492	1.5
68.99762	4.4
69.03420	37.5
70.35363	3.4
70.35759	3.1
71.04980	4.8
73.02906	6.9
79.05498	2.2
81.03406	24.1
81.07027	2.2
85.02897	100.0
87.00321	3.1
87.00816	38.2
91.03937	2.4
95.08572	1.6
97.02882	31.6
99.04449	14.6
105.01852	65.7
107.08578	1.9
108.04453	3.6
109.02861	30.8
111.04410	1.6
115.03915	2.3
117.01814	1.8
119.22495	1.4
121.10117	1.4
126.05514	1.4
127.03896	69.2
128.04259	1.6
145.04936	34.0
147.02876	3.1
147.83704	1.5
159.02873	14.1
189.03917	3.6
209.11781	3.5
213.03990	2.7
231.04962	16.3
249.06049	4.7
273.87326	1.6
278.45917	1.9
295.11679	3.8
308.80743	1.4
325.06998	1.8
339.08279	1.8
366.23096	1.9
367.08002	3.9
375.61676	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30263	1.6
55.01851	2.9
55.96944	1.6
57.03419	1.9
60.88974	1.6
61.02919	2.7
69.03420	3.4
70.06607	9.7
71.74314	3.2
73.02907	2.3
74.01139	1.8
84.02224	1.6
84.08144	4.5
85.02901	6.2
86.09694	12.0
91.05470	2.9
95.01357	2.9
97.02863	3.3
105.07042	2.3
113.02360	10.7
117.05753	4.3
117.07022	4.3
118.06528	35.2
129.06993	2.2
129.10268	2.7
130.06522	100.0
132.08125	2.8
135.64468	1.8
142.06575	2.2
143.07310	5.6
144.08075	78.1
147.04391	2.4
154.06476	11.2
155.07309	7.4
156.08147	8.6
158.06007	12.0
160.07600	7.3
167.07253	3.7
168.08102	6.8
170.06026	3.5
172.07562	55.8
180.08043	2.1
182.06053	3.5
184.07550	10.1
186.05594	5.8
190.08624	40.1
196.07607	5.2
198.05504	6.2
200.07079	2.4
203.05267	2.6
212.07098	7.7
214.05072	2.3
214.08705	2.6
224.07042	5.6
236.07133	2.2
238.08482	2.2
242.08090	2.3
252.06624	1.9
254.08032	5.8
254.72569	2.1
260.09265	6.6
272.09201	8.9
286.07068	2.0
302.10687	2.9
304.08136	2.1
320.11285	5.1
330.09781	5.7
356.21579	2.1
366.11224	6.1
379.03580	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63065	4.1
55.05506	15.9
57.07061	8.3
59.04985	7.5
62.28237	3.5
67.05508	23.9
68.81388	4.1
69.03417	8.8
69.07059	20.7
69.41647	41.2
79.05479	21.6
81.07041	27.7
83.04959	9.3
83.08605	5.8
85.06535	5.9
91.05482	36.7
93.07030	42.0
95.04961	42.2
95.08589	24.1
97.06540	9.6
98.20618	9.1
105.07027	54.2
107.04979	4.4
107.08586	23.3
109.06496	10.4
109.10145	16.1
117.07013	15.5
119.08573	46.6
121.10123	34.1
122.27377	4.4
123.08102	9.1
123.11722	5.8
125.09599	5.5
127.91023	3.9
128.06270	5.2
129.07005	9.5
131.08519	27.0
133.10147	18.6
135.08038	14.7
135.11668	6.2
137.09602	6.4
142.07755	10.9
143.08542	31.6
145.10106	40.2
147.08044	8.3
147.11673	11.8
149.09583	12.0
155.08545	8.3
156.09335	13.0
157.10094	35.3
159.08041	6.0
159.11688	17.6
161.09630	10.8
161.13289	7.2
163.11214	5.3
165.07063	6.3
167.08530	10.9
167.10689	4.6
168.09300	8.4
169.10117	23.6
170.10924	7.3
171.11668	21.2
173.09680	10.0
173.13191	24.5
175.11151	11.1
179.08531	9.3
181.10097	10.0
182.10934	7.7
183.11656	20.0
184.12547	4.7
185.09569	4.7
185.13278	9.8
187.11101	6.2
187.14787	5.0
191.08585	5.1
191.14359	15.2
193.10075	14.6
194.10831	9.8
195.11664	17.2
196.12535	4.4
197.13234	20.2
199.14729	8.3
201.12698	8.4
203.14384	6.1
206.10849	6.1
207.11647	27.8
208.12408	5.2
209.13261	22.8
210.13931	7.6
211.14789	10.1
213.12755	5.6
215.14328	5.3
216.15015	5.7
219.11627	4.3
220.12538	7.9
221.13176	13.7
223.14825	10.0
225.12762	8.8
227.14258	5.4
233.13249	5.6
234.14037	4.6
235.14891	10.6
237.16444	7.8
247.14833	8.6
249.12825	5.0
249.16406	15.2
251.17819	5.5
253.15874	5.3
263.17950	9.2
265.15933	4.8
265.19525	4.8
267.17413	8.8
281.19086	6.3
291.19769	7.2
297.18420	6.0
310.64041	4.1
337.25394	5.1
347.23599	25.4
365.10458	5.8
365.24683	100.0
366.24942	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14225	1.8
55.05512	19.3
57.03412	2.6
57.07058	9.0
59.04996	3.9
65.03921	3.6
67.05174	3.4
67.05497	38.5
69.03414	7.5
69.07058	21.8
71.04964	5.0
79.05478	25.8
81.07047	31.6
83.04943	7.0
83.08595	5.7
85.06526	5.8
91.05461	29.5
93.07035	40.0
95.04954	49.5
95.08597	45.7
97.06506	6.9
103.05481	3.3
105.07025	46.5
107.04897	4.3
107.08573	35.2
109.06514	11.2
109.10137	19.9
116.06230	2.8
117.06999	14.5
119.08569	50.0
121.06519	2.9
121.10139	16.4
123.08065	5.5
123.11736	2.7
128.06187	8.9
129.06998	13.6
130.07784	5.4
131.08545	29.4
133.10130	17.2
135.08032	13.2
135.11661	11.5
137.09615	3.3
141.06940	7.7
142.07762	16.3
143.08549	25.1
144.09320	8.8
145.06384	2.5
145.10114	31.5
147.08032	8.4
147.11679	10.0
149.09601	3.6
151.07416	2.3
153.06952	3.3
154.07787	4.0
155.08527	18.6
156.09319	15.1
157.10089	35.8
158.10901	6.1
159.08043	4.1
159.11679	42.0
160.11916	2.7
161.09637	8.0
161.13242	8.5
163.11206	2.9
165.06985	9.2
167.08545	8.1
168.09332	9.1
169.10097	23.3
170.10854	14.5
171.11652	29.8
172.08778	3.5
172.12453	6.3
173.09627	9.1
173.13245	13.2
175.11214	5.0
177.12604	2.3
178.07713	3.3
179.08521	13.0
180.09361	7.5
181.10097	20.6
182.10869	8.9
183.11671	30.7
184.12354	4.4
185.13237	27.6
187.11150	12.7
187.14827	17.3
189.12747	6.1
192.09276	5.4
193.10141	16.4
194.10933	9.7
195.11664	35.1
196.12393	8.7
197.13225	19.7
198.10326	2.4
198.13934	4.3
199.11227	5.4
199.14798	7.8
201.12738	2.8
203.14287	4.4
205.09999	5.1
205.15889	7.3
206.10873	8.5
207.11670	26.1
208.12436	12.0
209.13206	29.6
210.14005	6.3
211.11183	4.6
211.14740	11.3
213.12793	13.4
217.10139	3.7
217.15840	2.8
218.10681	2.6
219.11650	8.6
220.12433	7.6
221.13240	24.0
222.13991	7.5
223.11284	2.4
223.14838	26.8
224.11984	3.0
224.15530	4.3
225.12784	6.4
225.16412	7.5
227.14374	5.0
227.17961	2.9
229.15869	3.7
231.11722	2.7
232.12364	5.0
233.13240	13.9
234.14005	6.5
235.14732	12.1
236.15506	4.6
237.16345	15.1
238.16946	2.7
239.17967	4.2
241.15811	6.0
243.11743	4.0
245.13332	4.5
247.14844	9.8
248.15569	2.5
249.16429	14.1
251.17970	14.7
252.18639	3.4
253.15894	4.3
255.17586	2.8
258.14075	2.8
259.14734	6.4
261.16254	5.9
262.13403	2.6
263.14465	2.5
263.17960	15.5
263.81265	2.2
264.18753	6.4
265.15952	7.3
265.19424	4.9
267.17346	7.8
269.18997	7.6
273.16354	7.3
275.17856	4.3
277.15903	3.4
277.19278	3.7
281.18939	9.8
289.19522	7.8
291.17151	6.0
291.19934	5.1
299.17911	3.8
306.25116	3.8
309.18457	3.7
319.23911	4.5
329.22617	6.3
332.21384	3.4
347.23651	35.5
348.24124	3.3
365.24728	100.0
365.32059	4.0
366.25009	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.3
55.01850	2.8
55.05505	14.0
56.08687	2.0
57.03420	3.6
57.07056	4.7
59.04990	4.1
61.02906	4.5
65.03922	2.8
67.05499	27.2
67.81950	1.8
69.03402	6.7
69.07056	16.4
71.04971	3.5
75.12673	2.1
79.05486	23.8
81.06590	3.2
81.07043	30.6
83.04968	4.8
83.08601	4.0
85.06517	5.8
91.03933	2.9
91.05470	35.4
93.07039	39.9
94.51929	2.4
95.04955	35.4
95.08584	24.6
97.02880	2.5
97.06512	5.1
97.10152	3.9
98.20670	4.4
100.54645	2.4
103.05453	3.0
105.07021	56.6
107.08572	33.5
108.08807	1.9
109.06519	11.2
109.10141	21.8
112.50395	2.2
115.05429	6.0
116.06239	3.8
117.07005	13.8
119.08559	53.0
121.06473	5.1
121.10133	31.0
123.08047	7.0
123.11694	4.7
125.09589	2.4
128.06203	8.5
129.06966	9.4
130.07788	5.4
131.08548	39.0
133.06500	2.2
133.10117	22.9
135.07990	11.9
135.11655	8.4
137.09576	3.5
141.06981	7.1
142.07742	15.8
143.08539	32.1
144.09302	10.2
145.06491	2.8
145.10101	35.1
147.08012	7.2
147.11674	15.6
149.09581	9.5
149.13275	5.2
151.54129	1.9
153.07021	4.7
155.08517	12.5
156.09332	12.0
157.10120	32.1
158.10875	5.5
159.08061	8.2
159.11661	19.8
161.09584	10.8
161.13237	5.9
163.11154	2.8
165.06966	4.5
166.07713	2.9
167.08540	7.3
168.09297	8.8
169.10100	20.0
170.10886	7.5
171.11684	17.1
172.12279	2.5
173.09581	11.1
173.13249	40.8
175.11177	8.1
175.14856	2.4
177.12711	3.2
179.08507	12.4
180.09247	4.1
181.10097	14.1
182.10938	6.1
183.11702	28.1
184.12476	3.0
185.09578	3.9
185.13234	11.7
187.11171	6.0
187.14806	6.1
189.12749	4.9
191.14276	26.9
192.09311	3.9
193.10101	13.9
194.10883	7.6
195.11676	20.5
196.12373	7.1
197.09576	4.1
197.13264	16.3
198.14037	3.9
198.45877	2.2
199.11157	6.2
199.14769	9.1
201.12715	13.4
203.14311	3.1
206.10869	9.6
207.11649	23.4
208.12364	9.3
209.09674	2.9
209.13245	15.6
210.10486	2.4
210.13951	4.8
211.11223	5.8
211.14772	12.5
213.12749	5.2
213.16307	3.6
215.14227	3.8
217.15756	3.7
218.10930	2.6
219.11668	8.0
220.12512	5.3
221.13220	17.5
222.14050	5.2
223.11287	3.3
223.14902	12.8
225.12733	7.3
225.16405	5.7
227.14275	5.9
229.15924	2.7
230.10966	2.9
231.11778	2.7
232.12384	3.0
233.13240	6.0
234.14049	5.5
235.14767	10.7
236.15454	2.6
237.16428	8.0
238.17032	2.6
239.14268	3.5
239.17880	3.6
243.11819	2.9
245.13235	2.5
247.14780	6.3
248.15591	6.5
249.12805	2.4
249.16356	14.8
251.17912	5.3
253.15866	3.4
255.17465	3.7
258.13962	3.8
259.14664	3.2
261.16302	4.2
263.14410	3.7
263.17941	13.4
264.18637	5.7
265.15765	6.1
265.19394	2.8
267.17410	6.5
269.18997	4.6
270.19629	2.7
273.16266	4.3
277.16000	3.0
277.19489	4.3
279.17426	3.3
281.18930	7.8
282.19556	4.3
289.19492	3.3
291.17270	6.9
291.19940	4.8
297.18359	5.4
307.20508	2.8
309.18289	4.6
317.19214	2.1
329.22513	3.7
333.14941	3.3
337.25290	5.2
347.23666	29.9
348.24219	2.6
365.24692	100.0
366.25043	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	17.9
57.07074	7.2
59.04990	5.4
65.69546	3.2
67.05489	34.3
69.03424	8.4
69.07047	19.6
71.04987	5.2
79.05482	26.7
81.03423	4.0
81.07045	30.1
83.04967	8.2
83.08607	7.7
85.06546	4.7
91.05458	33.5
93.07037	43.4
95.04961	43.5
95.08599	25.6
97.06509	7.8
97.10213	4.0
98.21449	8.2
105.07021	39.0
107.08597	27.7
109.06496	11.9
109.10155	23.9
115.05448	5.5
117.07033	12.9
119.08569	49.9
121.06445	6.3
121.10146	25.5
123.08076	5.5
128.06194	7.8
129.07019	11.4
130.07813	5.7
131.08549	32.6
133.10124	22.8
133.94991	3.7
135.08044	12.6
135.11655	4.6
137.09592	6.0
139.11148	5.9
141.06973	6.4
142.07794	17.0
143.08527	29.8
144.09320	6.9
145.06505	5.5
145.10115	33.5
146.42914	4.1
147.08038	14.2
147.11690	10.3
149.09650	4.6
149.13260	4.5
154.07710	3.9
155.08553	15.2
156.09348	13.3
157.10132	33.4
158.10889	3.9
159.11697	17.8
161.09608	10.8
165.07019	10.5
167.08511	9.2
168.09288	5.4
169.10144	29.2
170.10927	7.3
171.11639	23.7
173.09625	5.6
173.13245	16.8
175.11186	7.7
177.12787	5.3
179.08534	12.0
180.09337	7.2
181.10135	16.1
182.10966	7.3
183.11679	25.8
184.12553	6.8
185.09584	5.5
185.13249	7.8
185.83075	4.3
187.11137	8.5
187.14809	5.3
191.08394	4.3
192.09319	8.9
193.10135	22.1
194.10916	9.7
195.11642	26.2
196.12383	5.3
197.09671	3.9
197.13202	17.2
199.11168	6.3
199.14780	6.7
201.12773	4.8
205.10117	7.2
206.10890	6.3
207.11618	20.0
208.12495	11.8
209.09698	5.5
209.13263	19.3
210.13817	4.5
211.11243	5.6
211.14821	10.7
217.10089	5.4
218.10741	3.9
219.11674	10.1
220.12498	6.0
221.13292	17.3
222.14058	4.8
223.11206	4.0
223.14815	13.1
225.12727	11.1
225.16283	7.0
232.12463	4.9
233.13257	11.4
234.14079	5.0
235.14758	12.1
236.15700	4.3
237.16400	10.7
239.14220	8.5
243.11549	6.1
247.14825	9.8
249.16443	20.9
251.14270	4.8
251.18018	5.2
257.19116	3.7
258.13962	8.2
259.14664	4.8
261.16415	5.5
263.14331	6.1
263.18057	15.0
264.18713	4.5
265.15829	8.7
265.19482	5.1
267.17441	7.3
273.16315	5.0
277.16241	4.8
277.19302	4.8
279.17465	4.9
281.18961	6.9
291.17133	10.8
291.19736	12.7
311.22165	4.5
319.24268	3.8
337.25235	4.8
347.23624	39.1
365.10632	8.0
365.24454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53043	1.5
53.03933	3.7
55.01876	8.0
55.05270	2.5
55.05506	33.3
56.96547	2.0
57.03436	14.7
57.31457	1.5
57.46158	1.7
57.51853	1.4
58.90281	1.5
66.98515	1.6
67.05495	39.1
69.03423	16.8
69.07058	45.4
71.04956	3.0
71.33459	4.3
79.05480	32.2
81.03403	7.7
81.06593	2.3
81.07045	26.9
83.04961	6.0
83.08602	15.7
85.02885	2.4
85.06525	1.9
91.05466	25.8
93.07035	23.8
95.04961	12.3
95.08602	14.6
97.02885	16.2
97.06503	4.7
97.10149	19.9
98.98443	1.9
105.07032	16.8
107.04944	12.0
107.08575	16.2
108.69296	1.5
109.02888	1.5
109.06503	3.5
109.10127	13.6
111.08040	2.2
117.07006	8.9
119.06199	2.0
119.08581	16.5
121.06471	3.8
121.10163	9.5
123.08038	6.0
123.11714	2.2
125.09615	16.2
129.06987	5.0
131.08556	10.0
133.06453	2.5
133.10110	6.9
135.08032	4.6
135.11667	5.8
137.09570	4.0
143.08508	3.9
145.10100	7.8
147.08011	7.1
147.11668	4.3
149.01183	2.9
149.09599	4.2
149.13206	4.1
157.10106	2.4
159.08073	2.5
159.11656	2.7
161.09599	3.7
163.11130	2.5
165.09085	2.5
171.11705	2.2
173.13133	2.0
175.11185	3.9
177.12723	2.4
185.13182	1.9
189.11189	8.5
203.05092	1.9
205.12204	3.9
223.13249	31.3
227.12735	3.3
251.26390	1.8
263.20035	2.6
273.18491	18.3
284.12753	5.9
291.19504	100.0
292.19739	3.3
314.36670	2.0
347.22372	1.9
365.10471	4.6
365.15939	2.7
365.23151	59.8
366.23676	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2314
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03938	3.7
55.01852	7.7
55.05503	15.5
56.96558	3.4
57.03436	19.3
57.07047	3.4
62.56346	2.1
67.05185	3.4
67.05501	47.7
67.64032	2.0
67.67465	2.2
69.03418	5.7
69.07051	17.0
71.04998	4.3
71.20592	5.1
79.05480	37.9
81.03388	7.0
81.06600	3.8
81.07048	52.4
83.04975	11.0
83.08603	7.9
85.02894	2.0
85.06528	8.2
85.95528	1.9
89.06017	3.6
91.05462	44.4
93.07038	32.1
93.07594	4.0
95.04956	22.7
95.08600	16.4
97.02865	4.9
97.06504	5.4
97.10136	6.2
105.07020	28.9
107.04929	8.7
107.08585	20.8
107.63417	2.7
109.06503	18.9
109.10135	20.4
111.04406	2.5
111.08061	5.3
113.05987	20.2
117.07008	10.1
118.05058	2.7
119.08581	14.6
121.06471	6.0
121.10133	12.9
123.08054	5.2
123.11674	5.7
128.06238	2.4
129.06996	4.8
131.08533	9.9
133.06429	6.8
133.10112	35.3
135.08043	17.7
135.11742	5.3
137.09648	4.3
143.08499	5.9
145.10117	12.0
147.07962	4.9
147.11629	7.1
149.09612	8.9
149.13298	2.6
151.11168	16.9
155.08571	2.5
157.10158	4.9
159.08034	5.4
159.11682	6.2
161.09581	8.3
161.13165	3.1
163.11183	4.5
165.09015	2.4
171.11555	4.1
173.09621	3.0
175.11166	3.0
177.09114	2.5
177.12683	2.8
245.19011	5.1
253.14299	9.0
255.17488	4.4
263.19977	3.6
273.18378	22.2
291.19470	21.4
347.22089	4.3
365.10464	4.9
365.23004	100.0
366.22879	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72236	0.7
53.03929	2.1
55.01865	7.0
55.05505	24.6
56.96556	4.9
57.03430	10.9
57.07065	1.3
58.70940	0.7
59.04974	1.4
65.03913	1.1
66.17175	0.6
67.05497	33.6
69.03091	0.8
69.03423	12.1
69.07060	41.1
70.16607	1.6
70.17027	2.5
71.04952	2.1
73.02908	0.7
79.05485	27.6
81.03394	6.5
81.07049	24.6
83.04967	4.8
83.08607	8.5
85.02874	0.7
85.06502	1.3
91.04923	1.1
91.05470	17.5
93.07029	20.3
95.01343	0.9
95.04491	0.7
95.04964	8.9
95.08599	15.0
97.02882	17.4
97.06516	4.3
97.09566	1.3
97.10159	15.5
97.27827	0.7
97.99712	0.7
98.98443	0.8
99.08045	0.8
105.07027	11.0
107.04941	7.7
107.08575	14.4
109.02869	0.8
109.06523	4.4
109.10146	11.2
109.26875	0.6
111.04435	1.0
111.08043	2.4
113.06020	0.9
117.07008	7.4
119.08572	12.5
121.06504	3.7
121.10110	5.4
123.08050	4.8
123.11672	1.0
125.05907	0.7
125.09618	12.0
128.06212	1.3
129.05475	0.7
129.06979	2.4
131.08565	7.8
133.06473	2.5
133.10110	5.5
133.28111	0.8
135.08043	5.7
135.11653	3.6
137.09589	4.8
142.07784	1.2
143.08527	3.0
145.06468	1.1
145.10120	5.5
147.08037	4.6
147.11652	2.7
149.01149	0.9
149.09628	1.5
149.13216	2.4
153.09103	1.7
157.06450	0.9
157.08879	0.8
157.10080	3.5
159.08064	0.8
159.11699	3.6
161.09631	3.3
163.11160	2.2
165.09099	2.7
171.03238	1.1
171.10220	1.1
171.11615	1.8
173.09543	1.0
173.11765	1.5
173.13142	0.9
175.11179	1.7
177.12708	3.1
179.10701	1.0
183.11707	1.0
185.04829	0.9
185.13216	1.0
187.94319	0.7
189.04291	0.8
189.11217	9.0
193.12097	1.2
195.11740	1.2
195.13718	1.7
198.19830	0.7
199.06424	0.8
203.05861	1.6
205.12227	2.5
209.13226	0.7
211.13255	0.9
213.12904	0.8
223.13272	29.7
224.13583	0.9
227.12675	1.5
227.17876	1.4
231.06866	0.8
232.08031	0.8
239.06789	0.7
245.10751	1.0
245.18959	2.3
249.08022	0.9
263.19934	1.3
267.09006	9.3
273.18469	14.7
284.12753	1.4
285.10074	19.3
286.10318	1.0
290.10651	1.4
291.19513	100.0
292.19824	2.8
297.17126	0.7
303.11029	1.7
308.11700	3.1
323.16760	0.8
347.22449	1.4
365.10547	1.1
365.23169	42.0
365.65482	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01863	7.7
55.05505	27.3
56.96551	3.3
57.03429	11.5
57.07072	1.1
59.04998	1.0
61.02913	2.2
65.03934	1.1
67.05497	36.6
69.03426	13.7
69.06682	2.5
69.07059	47.7
70.27377	2.7
70.27774	1.9
71.04969	2.8
79.05486	30.7
81.03403	7.2
81.06599	1.8
81.07052	31.4
83.04971	5.7
83.08603	11.1
85.02904	1.5
85.06532	2.3
91.05467	20.9
93.06485	2.0
93.07032	22.4
95.04953	12.0
95.08588	15.9
97.02882	16.3
97.06529	5.1
97.09576	1.2
97.10158	15.8
99.04474	1.2
103.05499	1.3
105.07014	15.3
107.04945	6.4
107.08589	17.7
109.06535	5.5
109.10143	14.5
111.08078	3.0
115.05449	1.8
117.07019	8.5
119.04977	1.6
119.08555	15.6
121.06495	4.2
121.10139	6.6
123.08076	5.4
123.11720	1.9
125.09617	10.9
128.06267	1.2
129.06992	3.5
131.08549	8.7
133.06451	2.5
133.10114	8.5
135.08023	7.0
135.11681	4.0
137.09590	4.4
141.07007	1.2
142.07800	1.3
143.08539	6.0
145.10118	6.8
147.07979	5.2
147.11656	2.7
149.09613	2.8
149.13191	3.0
151.07581	1.1
151.11200	3.2
153.09050	2.2
155.01045	1.8
157.10147	3.8
159.08089	1.4
159.11674	2.4
161.09604	4.0
163.11200	1.9
165.09151	2.4
167.03284	1.1
171.10280	1.6
171.11676	2.2
175.11212	3.5
177.12794	2.0
189.11211	8.1
189.12691	1.4
193.12175	1.3
203.10675	1.2
205.12210	2.6
207.13715	1.1
213.08162	1.2
223.13277	28.6
224.13412	1.0
224.42557	1.1
227.17986	1.7
243.20332	1.1
245.18951	2.1
249.14825	1.5
255.17340	2.0
263.20197	1.4
266.30154	1.1
269.10599	3.5
273.18466	20.1
273.21362	1.0
282.15375	1.1
284.13440	1.5
287.11771	1.6
291.19519	100.0
292.12567	1.0
292.19955	4.2
347.22079	1.2
365.23230	39.4
383.17575	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40349	3.6
53.03941	8.2
55.01856	14.1
55.05505	35.8
56.96542	7.8
57.03434	57.0
65.03930	5.8
67.05501	75.5
68.19491	3.3
69.03416	8.2
69.04533	15.7
69.07063	58.0
70.06588	7.4
70.40707	3.8
70.42984	12.0
70.43400	7.8
73.02892	3.9
79.05485	46.3
81.03396	13.9
81.07053	54.1
83.04980	7.2
83.08594	12.8
85.02892	4.9
85.06537	25.5
90.85233	3.0
91.05461	31.6
92.98420	3.2
93.07031	44.0
95.04961	47.9
95.08594	26.7
95.11198	3.2
97.02875	10.1
97.06514	12.8
97.10162	16.6
98.06030	8.8
98.25605	3.7
99.06379	5.0
102.38969	3.2
105.07027	34.3
107.04957	11.3
107.08594	23.6
109.06512	46.9
109.10159	20.9
113.05276	4.8
113.05997	51.3
116.07060	14.9
117.07023	10.8
119.08582	30.0
121.06490	9.8
121.10118	13.9
123.08031	11.7
125.09594	11.7
127.07553	9.2
129.06961	8.1
131.08548	15.0
133.06439	4.4
133.10112	12.7
135.08066	25.9
135.11684	11.5
137.09549	4.1
143.08524	9.4
145.10097	14.3
147.08049	9.2
147.11659	9.6
149.09631	8.7
149.13181	6.9
151.11162	5.4
157.10139	9.4
159.11633	12.2
161.09601	9.5
161.13251	3.8
163.11165	6.1
165.09059	4.1
165.12706	4.5
171.11613	7.4
173.13182	3.9
175.11136	4.7
181.10144	4.0
189.11279	8.8
195.13776	5.5
199.11055	4.8
217.15891	6.9
223.13251	14.7
245.19037	5.9
269.10529	7.4
273.18506	32.9
291.19525	100.0
336.13870	3.3
365.23248	59.6
365.27805	8.8
365.31650	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88877	0.6
58.98890	0.6
63.44794	0.7
64.39561	0.8
64.91840	0.6
70.25593	2.4
76.80009	0.9
115.22018	0.7
119.01921	2.0
121.33610	0.6
124.71380	0.8
131.01903	1.3
134.31831	0.7
142.20964	0.8
143.01906	2.0
145.03476	1.3
155.01903	1.3
161.02933	2.3
173.02972	3.3
185.02916	2.3
185.04236	26.2
197.03026	1.3
203.05261	57.7
204.05539	1.3
205.25587	0.8
245.05048	9.5
263.06128	2.1
365.10535	100.0
366.10922	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	4.9
57.07064	3.3
58.11533	2.6
60.04510	5.4
61.00850	2.6
61.01144	45.7
67.29961	2.7
68.99751	3.1
69.03436	4.2
70.06568	6.2
70.34114	9.3
72.04511	25.6
73.02918	3.3
78.03788	18.2
84.08121	4.4
85.02876	6.2
85.06535	4.2
86.06063	3.8
86.09708	4.1
87.00823	17.9
88.02209	8.3
92.11273	2.2
95.56091	2.5
98.97564	5.8
99.05550	9.6
102.03743	23.4
103.02158	36.5
104.01669	2.9
113.05966	3.0
114.03732	11.0
114.05516	62.2
116.98603	3.4
118.22655	2.2
120.04792	46.6
120.08080	5.1
124.07565	4.3
125.07122	2.9
129.00070	7.0
131.06358	8.4
132.04767	16.5
134.99663	2.7
136.06181	2.9
136.07574	2.7
140.03377	3.0
142.08603	7.4
145.02826	3.3
146.02644	15.6
147.01074	21.0
147.04286	2.6
149.07425	37.7
159.05843	12.3
162.05682	2.8
163.03873	4.3
164.03758	12.2
174.05836	4.2
175.05367	4.9
177.05457	5.9
184.09674	4.1
185.04247	12.7
190.10867	3.0
191.08475	53.2
203.05241	24.7
205.11671	2.5
213.04492	2.8
217.06395	9.3
218.04823	4.8
219.01582	3.9
234.13420	3.1
235.07452	100.0
237.02814	4.1
239.02248	4.3
303.13712	29.8
347.12640	22.3
365.05673	7.6
365.10513	44.6
365.20706	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	48.1
57.03421	4.8
57.08258	3.4
67.05479	3.8
69.03406	3.8
69.07048	3.9
70.06574	36.6
70.42743	13.7
72.08121	7.9
74.06078	3.5
79.26363	3.1
81.03394	4.9
84.08120	8.6
84.96008	9.2
85.02940	3.7
86.09687	8.1
88.92043	3.5
89.44362	3.7
94.56427	3.5
97.02865	6.0
98.97576	28.5
110.07137	5.7
110.97573	6.8
116.98624	21.5
118.06537	3.3
120.08146	3.8
128.98578	11.3
129.03412	3.4
129.10226	6.8
130.06508	6.9
131.00111	5.3
134.99602	13.3
144.08072	4.7
146.99605	14.7
147.04396	6.0
157.52594	4.2
161.01215	9.6
165.00766	3.9
172.07507	3.3
177.00667	8.0
179.02292	4.9
185.04196	13.5
189.00827	4.5
195.03256	3.8
200.11470	3.5
203.05232	39.2
209.01186	4.8
213.04332	17.6
219.01703	7.5
237.02757	22.4
239.02306	26.0
257.03275	16.2
275.01852	3.9
285.08832	3.8
301.27090	4.7
341.57278	3.7
347.12173	4.8
352.38998	3.7
365.05533	100.0
365.10446	66.3
383.06256	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
53.03939	2.4
55.01850	1.0
55.05506	23.2
57.03434	0.9
57.07063	1.8
60.08156	3.4
65.03919	2.2
67.05499	53.6
69.07060	20.6
69.77047	1.8
69.77485	1.8
71.04975	1.9
71.08614	0.6
73.02911	2.9
79.05486	34.8
81.07049	43.2
83.04957	1.7
83.08608	7.2
85.06521	1.2
86.09674	1.6
91.05471	15.5
93.07034	36.8
93.12366	0.5
95.04951	3.5
95.08598	31.7
96.08959	0.7
97.06516	1.4
97.10165	2.4
99.04457	1.7
99.08052	0.8
104.10755	0.5
105.07021	8.3
107.08583	17.8
109.06503	2.2
109.10141	11.6
110.10420	0.4
113.06060	0.6
117.07000	1.6
119.08564	5.0
121.10130	12.6
121.10970	0.9
123.08041	1.4
123.11694	2.4
131.08539	1.9
133.10124	3.4
135.11687	5.5
143.08543	0.7
145.10118	1.4
147.11650	2.4
149.09576	0.7
149.13206	3.6
151.16499	0.6
151.84856	0.5
156.26103	0.5
159.11726	1.0
161.13249	0.7
163.11127	0.6
163.14816	2.0
173.13257	0.7
177.16176	0.5
196.45595	0.6
305.24725	81.4
306.25058	6.8
364.32056	100.0
365.32431	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01864	12.4
55.05506	6.2
57.03429	7.3
58.51152	2.1
58.84182	2.1
67.05498	8.8
67.43270	2.4
69.03420	12.3
69.07063	4.1
70.06601	4.0
71.74803	2.9
79.05484	40.1
79.92149	2.2
81.03416	32.0
81.07052	6.7
82.03738	10.5
83.04977	21.1
84.08146	3.3
85.02901	40.0
91.05450	15.4
92.05744	3.4
93.07035	16.0
93.35653	2.3
95.04977	3.9
95.08620	4.8
97.02898	14.8
97.06539	10.2
97.83634	2.6
99.04470	7.0
105.01860	5.3
105.07037	21.3
106.07333	2.9
107.04962	4.9
107.08586	100.0
108.08911	2.8
108.48688	2.2
109.02885	6.7
109.06512	3.6
111.04443	52.5
115.05459	2.8
119.08570	4.0
121.10152	21.6
123.08050	3.1
125.06017	5.3
125.09621	23.8
127.03875	15.0
129.05418	4.5
129.71771	2.2
131.08524	7.1
136.06175	67.2
143.08571	3.3
145.04980	6.8
147.06772	5.5
149.09605	25.1
159.02835	3.4
159.08008	4.2
160.05147	6.4
161.05841	6.6
167.10675	37.3
173.05942	3.0
173.09692	2.7
176.10652	3.2
177.07851	4.4
202.92451	2.3
203.05220	4.6
231.05014	3.3
258.14844	3.0
272.13632	9.3
273.13657	7.7
284.09561	3.1
302.17511	65.4
303.17905	4.5
320.18576	15.3
346.20068	9.6
364.18375	19.3
364.20874	16.8
365.10455	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26497	4.1
53.03921	7.1
55.01846	5.7
55.05503	28.0
56.05026	4.1
57.03416	13.7
57.07055	3.8
59.04974	12.6
61.02906	12.1
67.05497	18.3
68.99762	4.1
69.03422	38.4
69.07059	43.4
69.23842	3.6
70.06585	21.0
71.04988	21.0
71.74020	5.3
72.08127	7.0
73.02892	6.8
76.89194	3.7
79.05479	23.9
81.03416	21.8
81.07044	34.2
83.04971	61.9
83.08604	6.4
84.04488	7.3
84.08105	5.2
85.02897	89.6
85.06531	9.4
86.09707	9.1
87.00800	16.4
87.04458	4.1
91.03931	4.0
91.05468	15.7
93.07029	34.5
94.50666	4.0
95.04979	27.7
95.08599	38.0
97.02883	30.8
97.06499	28.4
97.10160	7.0
99.04429	20.0
99.08085	5.0
100.83272	3.7
101.05981	4.0
105.07020	18.9
107.04903	7.3
107.08581	40.4
109.02866	12.7
109.06505	47.8
109.10161	6.8
111.04448	22.9
111.08112	7.4
111.11713	11.3
116.07086	8.4
119.08511	5.9
120.08098	7.0
121.06512	4.2
121.10130	100.0
123.08053	32.3
125.05997	37.6
125.09610	61.1
127.03949	19.4
127.07503	4.0
129.05443	4.7
129.10172	4.4
131.08533	6.4
139.11157	81.8
145.04936	11.4
147.06497	9.3
147.63475	3.6
149.09578	37.6
153.35661	4.0
157.12106	4.7
162.02103	4.5
167.10660	89.4
177.03188	3.9
185.04208	6.2
185.11739	12.8
196.06047	4.6
202.14310	5.4
203.05232	8.4
238.90959	3.7
271.16776	4.8
293.03314	3.6
346.26035	4.2
364.17429	6.2
365.10794	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.01860	3.0
59.55801	1.3
62.19161	1.4
67.05508	2.5
69.41400	12.0
69.41822	5.1
69.46615	1.5
70.06561	1.9
72.08126	2.0
72.26304	1.6
79.05482	14.3
81.03397	7.7
81.07030	3.0
82.03741	2.6
85.02867	4.6
91.05464	13.2
93.07029	100.0
95.04909	4.1
97.02879	2.5
105.07006	6.9
107.08572	35.3
119.08503	2.7
119.91453	1.7
120.08100	2.6
121.10122	42.0
122.10452	2.8
127.03836	1.7
131.08615	3.1
136.06161	37.8
149.09599	43.5
167.10641	30.6
191.08522	1.4
192.06609	1.7
211.13544	1.9
223.76099	1.7
228.77284	1.7
230.09238	1.8
285.44296	1.7
302.17477	2.8
320.18442	2.2
346.18622	1.7
364.19858	15.8
365.10199	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.9
55.05491	20.7
56.96542	14.5
57.03418	14.5
60.04494	7.0
61.02922	6.2
67.05495	33.6
67.07266	5.0
67.56283	4.7
69.03413	17.2
69.07022	7.3
70.06582	58.5
71.04978	7.8
71.73965	9.5
72.08138	36.5
73.02869	5.9
75.04455	9.2
76.57071	6.0
79.05473	24.1
81.03378	15.8
81.07037	19.5
83.08599	9.0
84.08128	8.8
85.02443	6.4
85.02894	48.2
86.09673	24.7
87.04449	6.3
90.05478	5.9
91.05469	34.0
93.07030	96.8
95.04925	10.8
95.08565	7.8
97.02883	34.8
97.06526	10.0
97.57178	5.4
97.61211	6.2
98.97561	25.7
98.98449	16.0
103.05461	7.2
105.01829	19.1
105.06996	17.8
107.08584	27.2
109.02860	14.3
109.10148	16.5
110.07181	32.6
111.04419	6.5
111.08065	10.3
116.98571	23.5
119.08512	13.0
120.08088	65.3
121.06460	5.5
121.10132	100.0
127.03893	35.2
128.98596	11.6
131.08540	11.0
133.10109	10.2
134.99646	11.9
136.06151	34.3
136.99899	13.5
137.05911	10.3
137.09547	6.9
139.11133	14.8
145.04930	17.6
149.09601	33.5
150.63239	5.5
151.07571	6.1
155.01027	16.0
156.07642	29.2
157.10083	7.7
161.01208	6.9
167.10616	52.2
171.14885	7.9
177.00665	12.3
185.04128	9.0
194.08090	8.3
199.14348	5.8
203.05183	15.1
211.13258	17.4
219.01686	7.1
233.07524	23.1
237.02831	17.8
266.08640	10.1
284.09772	9.9
290.65579	10.7
301.09656	6.3
302.17471	28.9
319.10562	10.9
320.18381	14.1
346.20215	10.7
364.14218	8.6
364.21329	43.8
365.10281	21.1
365.14120	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01869	2.3
55.05500	2.8
57.03421	7.1
58.04546	1.1
60.04500	1.3
61.02920	1.2
67.05482	4.2
69.03409	4.4
69.07043	2.9
70.06557	1.5
71.04993	1.7
71.74634	1.6
72.08153	2.2
75.04060	2.0
75.04466	30.4
76.46771	1.1
79.05477	9.5
81.03409	12.8
81.07033	4.9
82.03748	2.2
83.04981	1.6
85.02887	14.2
86.09686	1.6
87.00803	3.0
91.05469	13.2
93.07027	100.0
94.07346	1.7
95.04961	5.8
95.08568	2.8
97.02871	9.1
97.06516	3.2
99.04462	1.6
105.01833	4.7
105.07014	9.9
107.07895	2.0
107.08575	23.8
109.02853	3.7
109.06481	2.2
111.04433	2.3
111.08067	12.0
119.08577	2.5
121.06503	2.0
121.10123	43.2
123.07993	2.9
127.03909	8.4
131.08473	1.4
133.10115	1.5
135.11664	1.1
136.06154	27.5
136.07251	1.5
137.05815	1.2
145.04964	6.4
145.05968	1.1
145.10080	2.8
147.06801	2.6
149.09599	16.5
159.02881	1.4
160.05157	1.7
161.05861	2.0
162.06274	2.2
167.10648	26.6
177.07787	1.5
201.51443	1.5
202.14397	1.2
215.17714	1.3
216.13715	1.4
219.00212	1.2
225.15215	1.3
231.05072	2.6
249.05914	1.9
258.14948	2.0
266.08560	1.8
267.15192	1.1
272.13538	1.9
273.13519	4.3
275.13092	1.3
281.27325	1.4
284.09723	2.8
291.14459	1.3
302.17435	20.9
307.33432	1.3
320.18509	10.8
327.10391	1.2
346.19492	1.5
364.18042	7.9
364.21118	8.1
365.10547	2.8
385.90536	1.4
385.95630	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.5
55.01848	5.5
55.05494	13.5
60.04511	9.2
61.02911	6.2
61.86764	3.8
63.03922	3.7
69.03416	25.0
70.06574	11.3
70.18253	22.1
71.04971	8.2
72.08154	41.5
73.02911	9.0
79.05469	4.6
81.03404	41.6
84.04489	5.1
85.02896	60.1
86.09684	9.4
87.00825	28.5
87.04440	5.4
91.05455	6.0
93.07040	5.5
95.04958	6.2
95.08587	7.1
97.02876	90.7
99.04412	13.6
105.01859	72.2
105.07053	5.3
107.08630	7.9
108.04502	8.6
109.02864	30.3
120.08096	75.9
127.03896	100.0
136.06163	13.2
145.04953	41.0
159.02907	8.9
167.10681	5.7
185.11658	5.1
203.03191	21.4
203.04932	5.4
206.77246	4.0
219.14926	25.0
231.05022	39.7
234.98932	26.0
235.99228	21.5
242.00993	4.4
247.14456	7.1
248.07623	20.6
249.06041	37.0
252.99947	7.4
254.00238	5.3
265.15390	5.1
266.08740	38.1
278.13788	4.5
284.09738	36.6
318.07095	25.7
346.11069	5.3
346.20123	10.9
359.23682	4.6
364.11996	7.9
364.17130	7.0
364.20923	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01863	4.1
57.03430	3.1
61.02909	4.1
65.75896	1.6
69.03082	2.2
69.03421	25.2
69.25471	1.5
71.04993	3.6
71.13685	3.5
73.02898	5.3
77.01623	1.4
81.03410	23.9
85.02378	2.9
85.02897	59.3
87.00821	23.1
91.03941	1.7
97.02885	81.8
99.04440	9.6
99.30998	1.3
105.01854	66.3
108.04494	8.2
109.02861	30.6
117.01846	1.6
126.05503	3.8
127.03902	100.0
129.01823	1.9
139.53500	1.5
145.04945	43.5
154.90657	1.6
159.02881	11.6
177.14659	2.1
189.03850	1.6
213.03949	6.4
228.48505	1.5
230.06502	3.7
231.04959	40.2
248.07658	12.1
249.06033	29.5
249.08414	2.7
266.08719	27.8
284.09744	31.8
285.10498	1.4
329.01785	2.7
329.48294	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56006	1.3
53.03934	3.8
55.01854	5.3
55.05500	4.1
57.03422	5.0
60.04513	3.0
61.02917	3.4
62.57180	1.5
64.33492	1.7
67.05476	2.0
69.03084	2.6
69.03422	27.3
70.06583	4.9
71.04972	3.0
71.74379	1.9
72.08147	48.8
73.02902	4.5
79.05483	3.0
81.03408	40.1
81.07021	2.6
84.04464	2.3
84.08157	3.4
85.02895	66.5
86.09679	2.1
87.00819	27.2
87.04457	2.4
93.07012	2.6
95.04980	1.6
97.02878	93.3
97.06544	1.8
98.03187	2.8
98.97583	2.0
99.04443	11.2
105.01851	63.0
108.04439	11.1
109.02868	34.1
117.01811	2.1
119.01791	2.3
120.08094	27.0
121.10111	2.1
126.05483	4.5
127.03897	100.0
130.06625	1.9
136.06190	7.7
145.04948	39.8
147.02843	2.2
159.02873	12.0
171.14919	15.9
176.07047	3.1
189.03989	2.4
199.14395	5.8
203.08128	4.0
213.03922	4.9
217.09724	3.6
219.14929	6.2
227.08154	2.3
230.06740	3.7
231.04977	38.5
241.09608	3.6
242.08189	2.6
245.09303	8.6
248.07602	15.0
249.06038	28.2
263.10309	3.8
265.15417	4.6
266.08716	33.8
273.08386	1.8
273.58270	2.6
282.08636	3.3
282.58722	3.8
283.08826	1.9
284.09738	33.0
287.10284	4.0
302.17404	3.3
305.11377	18.7
323.12335	3.0
333.10770	5.5
346.20111	5.9
347.12476	2.3
364.21375	12.5
365.13559	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	3.3
57.03424	3.5
61.02911	4.1
64.13231	4.1
67.05492	3.5
69.03419	22.2
69.41702	11.4
69.42121	26.9
71.04990	4.3
72.70029	3.4
73.02902	5.6
81.03419	28.5
81.07020	3.8
85.02901	57.6
87.00828	23.2
87.35676	3.8
91.05518	4.9
91.53766	3.6
92.09889	3.9
97.02891	89.5
99.04444	11.8
103.93197	3.6
105.01853	77.7
108.04496	9.8
109.02868	31.0
126.05526	5.0
127.03902	100.0
127.13196	3.9
145.04939	46.9
149.09642	4.4
159.02893	15.3
176.07080	14.5
176.10703	15.1
177.11531	4.2
204.10210	5.3
205.11002	14.2
213.03966	7.7
230.06580	3.5
231.04984	51.2
248.07697	12.6
249.06029	27.3
266.08716	33.3
269.22089	4.3
284.09711	41.4
284.12277	5.0
286.14310	5.4
302.17551	61.6
346.20023	19.8
364.21289	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.0
55.01860	5.5
55.05488	1.5
57.03427	4.4
58.68302	1.3
61.02916	4.9
61.61986	1.6
67.05489	1.7
69.03420	25.0
70.36136	2.7
70.36523	3.5
70.92335	1.4
71.04971	4.6
73.02906	5.3
81.03410	33.7
81.07064	2.0
85.02897	67.7
87.00818	30.2
91.03967	3.7
91.05458	1.9
95.08552	2.5
97.02882	88.7
98.03170	1.7
98.06074	1.7
99.04445	10.7
105.01855	63.3
108.04468	9.9
109.02869	34.1
115.03984	1.6
117.01794	1.7
119.08568	1.7
126.05514	5.7
127.03901	100.0
129.01825	2.2
145.04947	35.6
147.20190	1.4
159.02884	11.4
159.07805	1.4
176.07985	1.5
178.80376	1.5
188.11520	1.9
189.03951	2.2
200.07889	2.4
213.03947	6.4
217.08243	1.8
218.08910	1.9
230.06587	3.0
231.04994	44.6
232.05341	1.8
242.12587	2.1
248.07651	12.5
249.06047	29.2
260.13657	7.2
266.08679	30.3
277.53552	1.6
284.09714	32.3
329.01755	2.1
364.17627	1.8
364.21814	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48907	2.4
53.03924	5.5
55.01867	5.2
57.03428	4.1
61.02915	3.7
62.49816	2.2
64.44672	2.2
69.03429	21.6
71.04977	4.9
71.29072	5.4
73.02895	4.5
81.03412	34.9
85.02894	58.1
87.00819	29.2
97.02880	93.5
97.06521	4.5
99.04435	7.6
105.01855	66.0
108.04466	8.4
109.02874	28.4
126.05547	5.3
127.03898	100.0
145.04944	41.7
147.06734	3.2
159.02904	16.3
177.07794	3.1
202.12088	2.7
213.03931	4.2
214.51494	2.4
231.04984	41.7
248.07530	11.8
249.06064	28.8
266.08679	29.7
273.13651	4.4
284.09711	35.0
302.17480	39.1
320.18652	5.8
346.20032	5.6
364.21002	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
55.01852	3.5
55.53139	2.0
57.03411	3.4
58.75597	2.0
61.02916	3.1
66.12627	2.3
67.05477	3.1
69.03413	20.5
69.07059	2.4
71.04981	4.8
71.55155	4.2
73.02896	6.7
79.05451	3.0
81.03407	35.7
81.07033	4.0
85.02896	66.1
87.00824	27.0
87.04440	2.4
91.05480	5.0
95.08604	2.9
97.02251	4.7
97.02879	93.7
97.77235	2.0
98.03197	2.6
99.04427	12.0
105.01850	74.9
105.07012	4.6
108.04471	11.9
109.02866	32.9
109.10168	3.1
113.35970	2.0
126.05490	2.5
127.03895	100.0
129.01778	2.9
133.10187	2.5
135.08099	2.5
145.04935	38.7
159.02917	14.2
176.10742	2.7
189.08708	2.0
213.03944	4.5
224.18013	2.4
230.06647	4.6
231.02863	1.7
231.04964	45.8
248.07640	12.2
249.06071	34.3
261.98309	2.3
266.08701	36.3
284.09723	45.2
302.17432	7.6
307.87619	2.4
344.31311	2.6
347.54761	2.0
364.21246	4.2
365.79007	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48651	2.3
52.08984	2.4
53.03921	2.9
55.01881	2.6
55.05494	7.0
57.03428	4.0
57.07054	9.7
59.04987	5.2
65.70332	2.5
67.05491	8.6
67.29183	2.1
69.07053	8.2
69.46210	12.9
69.46642	10.1
71.08630	4.1
75.04458	3.7
79.05469	19.8
81.07042	6.1
83.08614	3.2
89.05993	7.8
91.05454	15.6
92.61605	2.5
93.07018	6.4
95.04940	6.9
95.08585	5.4
103.05470	20.9
105.07031	36.2
107.04929	8.9
107.08600	3.7
108.05672	3.7
109.06507	4.6
110.22174	2.3
111.04471	3.0
115.05416	4.8
117.06995	4.2
118.04160	18.6
119.04939	6.9
119.08566	3.3
120.05695	3.6
120.58967	2.2
121.06503	7.8
122.07304	3.3
123.08074	4.0
124.05206	24.4
125.05957	3.1
128.06192	4.3
129.06949	4.1
131.08519	2.7
132.05721	2.9
133.06471	51.6
135.04414	5.3
135.08005	15.1
137.05959	39.5
139.03908	7.0
147.04364	3.9
147.08052	3.0
149.05939	5.8
150.06799	14.9
151.07512	9.2
158.07211	2.9
159.08067	3.9
161.05934	8.6
162.06741	2.8
163.03859	4.0
163.07504	3.7
165.05521	3.0
165.09109	100.0
177.05470	3.3
179.07042	10.1
180.07828	3.8
181.04915	2.9
191.07024	4.4
193.08591	68.6
194.09320	6.3
198.58609	2.5
202.00800	2.9
221.08041	34.6
261.14893	7.4
270.16266	2.6
276.17203	20.0
281.06973	2.7
281.94531	2.8
289.17825	3.4
299.11807	2.5
304.16559	3.8
313.18106	4.9
317.20963	3.9
345.20627	15.7
355.94818	2.8
363.21484	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56007	1.2
53.03935	3.3
55.01863	13.2
55.05490	2.6
57.03418	4.4
61.02911	4.5
67.05481	2.8
68.99767	5.8
69.03156	1.1
69.03422	13.2
69.65412	11.6
73.02895	2.5
79.05478	1.7
81.03403	13.1
83.04967	1.9
84.22665	1.5
85.02890	30.1
87.00821	21.7
91.05463	5.8
93.07033	2.0
95.08577	3.8
97.02878	36.9
99.04421	3.8
105.01852	24.6
105.07005	9.3
107.04925	1.8
107.08571	2.6
108.04442	1.8
109.02869	14.4
109.06505	2.9
115.05413	3.0
117.01801	2.2
117.06992	5.2
117.61810	1.3
119.08553	3.8
121.06504	13.4
121.10110	3.4
123.08030	1.7
123.11662	2.3
127.03901	36.6
128.06183	11.7
129.01820	2.4
129.06975	4.2
131.08528	1.8
132.05696	2.7
133.06462	6.3
133.10129	3.7
135.04404	21.0
135.08041	2.2
136.32411	1.4
137.05940	1.3
141.06938	3.2
143.08551	10.6
144.05667	2.1
145.04942	13.2
145.06456	35.9
146.07182	4.8
147.08018	24.4
149.05981	2.2
153.06940	3.1
155.06009	1.7
157.06479	2.9
159.02867	5.0
159.08031	9.6
160.05150	2.4
161.05949	5.0
161.09579	20.6
161.10818	1.8
163.07513	6.4
163.11166	11.8
169.06473	1.7
170.07227	3.1
171.08034	37.7
172.08713	3.7
173.05971	9.1
173.09677	2.2
174.06747	8.5
175.07530	20.2
175.11140	4.4
177.09094	11.8
179.10675	4.2
181.06512	2.3
184.05214	7.5
185.05923	1.4
185.09631	1.8
187.07501	3.5
187.11162	21.4
188.08270	3.0
189.03871	3.6
189.09082	21.2
198.06769	4.0
198.10292	1.7
199.07510	47.4
202.06305	1.9
203.10660	4.1
203.14401	1.4
207.17403	1.6
213.03949	1.9
213.12717	17.3
215.10675	13.2
216.07773	23.3
217.08575	100.0
218.09035	3.3
231.04926	16.0
231.13742	4.0
235.09511	3.3
241.12198	23.5
242.12483	2.0
248.07645	4.0
249.06042	8.9
259.13266	96.0
260.13641	6.3
266.08679	12.1
277.14291	5.5
284.09726	15.5
352.59210	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49509	4.4
56.96559	18.9
61.02925	5.4
63.84695	4.5
69.03414	8.7
69.07072	5.6
70.06576	9.4
70.64042	12.1
70.64445	12.1
71.97659	4.8
79.05489	5.7
81.03400	5.3
81.07042	11.7
84.08159	6.5
85.02901	15.0
86.09663	4.6
91.02189	6.0
91.05482	5.9
97.02849	7.4
98.97572	100.0
100.88395	5.2
107.24193	4.5
110.97563	7.8
116.98606	88.2
119.08588	6.2
123.04395	9.1
127.03917	7.0
128.98656	11.0
134.99658	47.3
146.99644	11.6
149.01224	6.0
153.00632	6.5
158.01305	6.5
158.99657	14.4
165.05472	6.2
166.05724	6.6
173.04726	4.7
177.00697	37.2
189.00681	7.4
191.05968	16.5
215.05978	13.9
219.01797	19.3
233.06886	6.9
237.02808	52.8
243.05418	12.8
255.03827	6.7
261.06393	13.3
279.07468	7.5
317.09152	14.5
335.10126	33.7
358.11862	6.3
363.10248	96.8
363.15933	18.8
381.10623	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01841	0.9
55.05478	0.9
67.05463	2.4
69.03423	0.6
69.07025	1.9
71.74551	0.8
72.08119	0.7
79.05486	13.1
80.05848	0.6
81.03020	0.6
81.03410	8.6
81.07015	1.5
83.04924	0.6
91.05462	5.0
92.62354	0.5
93.07039	4.4
95.04954	4.8
95.08575	1.8
97.02847	0.6
97.06493	1.8
99.44486	0.6
105.07013	4.9
107.04942	0.7
107.07919	0.8
107.08587	11.1
109.06467	0.6
109.10164	0.6
115.05502	0.7
117.06985	2.0
119.08541	2.5
120.08099	0.7
121.02840	2.2
121.05734	0.5
121.06498	6.2
127.73324	0.5
128.06201	0.6
129.06973	1.5
131.04852	0.8
131.08510	1.8
133.06474	1.0
133.10133	5.0
141.06926	0.9
143.08543	4.1
145.06441	3.1
145.10129	2.5
147.04382	1.6
147.08061	0.9
149.05952	2.5
151.07487	1.4
155.08566	1.4
157.10098	3.1
159.08051	3.3
159.11627	1.0
161.05966	14.1
161.09598	21.2
165.06976	0.7
167.08537	4.3
169.01302	0.5
169.10072	1.6
171.08032	2.2
173.09612	0.9
174.96855	0.9
175.07506	1.0
177.09105	1.0
181.10136	1.2
183.08038	1.0
183.11676	0.9
185.09576	3.9
187.07561	0.8
187.11143	1.2
193.10089	0.7
195.07968	1.2
196.08817	0.5
197.09677	0.7
197.13191	1.0
203.10643	1.5
203.83260	0.6
205.08575	1.0
207.11661	2.0
209.13213	0.9
211.11172	1.7
213.09074	0.8
213.12671	0.5
225.12766	4.1
227.14342	0.9
231.10147	1.6
235.11105	5.6
237.08955	0.9
237.12753	2.7
245.82063	0.6
249.11188	4.8
253.12210	5.4
255.13748	0.8
271.13257	12.8
281.11737	5.1
289.10928	0.8
295.11826	1.2
297.50217	0.5
299.09506	1.2
299.12732	15.1
317.13809	100.0
318.04251	0.7
318.14172	5.4
345.13358	2.1
362.15936	23.0
363.16238	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
56.96559	1.2
57.03435	0.3
61.02914	0.4
69.03410	1.7
70.06580	0.2
70.55593	0.8
72.08145	0.2
73.02898	0.5
81.03391	0.3
84.04493	0.2
84.08126	1.0
84.95995	0.2
85.02885	2.2
86.09690	0.4
86.87454	0.2
91.03948	0.3
97.02879	12.6
98.97598	1.3
99.04445	0.3
101.00893	0.3
105.02103	0.2
110.97556	0.3
113.00005	0.2
116.98608	0.7
119.01879	0.8
119.03529	0.5
120.01994	0.2
127.03896	0.8
128.98616	0.5
129.10222	0.5
131.01855	0.6
133.03516	0.3
136.06166	100.0
137.03001	0.3
137.04601	1.1
137.06535	0.8
143.01875	0.3
145.03497	0.4
145.04948	0.3
146.99664	0.5
155.02869	0.5
158.99680	0.8
161.02905	1.2
170.03293	0.3
173.02991	0.4
174.99165	0.5
177.00729	0.7
180.99510	0.2
182.03329	0.4
185.02893	0.3
189.00699	0.7
189.02399	0.5
190.98639	0.4
191.03932	1.7
191.53978	0.4
193.00172	1.0
195.04024	0.2
200.04388	2.0
200.54482	0.3
201.00772	0.5
204.54282	0.3
219.01723	0.7
220.55826	0.3
223.01353	0.3
230.14211	0.2
237.02863	0.3
238.33981	0.2
261.02786	0.8
263.06049	0.3
265.29590	0.3
267.73303	0.2
268.03720	0.5
272.06461	0.5
279.03668	0.5
281.07010	0.7
289.04028	0.2
321.04922	0.3
331.05432	0.2
362.08536	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76301	1.3
55.01858	1.7
57.03416	2.0
57.68152	1.5
61.02917	2.2
69.03426	2.9
70.06593	2.8
71.37109	2.9
72.08133	4.2
73.02911	2.4
77.69109	1.5
79.05517	2.3
80.18343	1.5
81.03425	2.7
83.19778	1.3
84.08131	6.0
85.02889	11.3
86.09699	6.9
88.04000	2.1
91.05456	1.6
97.02881	2.9
103.05492	1.8
107.04907	3.0
114.98654	1.6
115.05447	2.4
117.07034	2.7
122.03606	7.8
123.04475	2.0
127.03902	3.4
129.10234	3.9
131.04895	3.4
135.04427	5.2
137.05960	100.0
138.06316	3.6
141.07021	2.0
143.04909	2.1
145.06442	3.6
147.04382	2.7
150.06714	2.9
151.07335	6.6
160.05188	4.6
161.05943	2.0
163.07529	5.3
165.09090	1.5
169.06297	1.4
175.07510	21.9
177.00728	1.5
177.09091	2.6
181.08574	4.7
187.07539	3.4
189.00697	1.8
189.09027	2.9
191.03999	1.6
191.07059	3.2
200.04460	2.5
201.09099	2.4
203.06935	2.6
205.08537	8.8
209.08107	1.5
245.08075	1.6
247.09541	1.8
265.10620	2.5
271.09433	1.7
289.10846	3.2
307.11752	2.9
361.10776	2.7
361.14798	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13838	5.2
54.95165	4.9
55.01849	8.8
58.84584	5.2
61.02887	6.2
69.03419	32.9
70.87160	17.8
72.73215	6.1
73.02886	6.7
77.27306	5.3
81.03403	5.8
85.02895	100.0
97.02885	30.0
99.04413	6.4
101.02388	5.3
109.02847	6.4
119.01968	7.3
127.03893	79.6
145.04951	62.0
163.05980	12.1
180.08688	8.6
213.02322	6.5
229.05261	5.6
244.30704	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	41.5
67.05494	88.4
69.03416	22.2
69.07043	50.0
70.18890	36.5
71.04987	82.0
77.07372	10.2
79.05484	100.0
79.27646	9.8
81.07028	58.3
83.08607	19.8
91.05462	36.8
93.07025	87.7
95.04940	23.7
95.08582	37.7
97.06493	29.9
97.10150	31.0
98.21346	17.7
105.07011	55.1
107.08576	51.6
107.32709	12.3
109.10134	83.1
111.08078	16.0
119.08562	38.2
121.10122	73.7
125.09615	16.6
133.10110	20.3
145.10135	19.1
149.09558	15.9
153.12729	27.5
157.10205	15.3
173.11719	97.6
189.11180	20.6
195.19511	11.2
275.19986	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01875	0.9
57.03418	1.4
61.02907	1.9
69.03428	4.6
69.24014	0.6
70.06565	1.7
70.42378	1.4
70.42780	1.2
72.08161	3.9
73.02894	1.1
79.05471	1.1
81.03406	1.8
81.07055	0.8
84.04482	2.0
84.08154	1.7
85.02897	15.8
86.09695	8.1
89.03913	3.3
91.05492	1.1
95.01134	0.6
97.02886	5.4
102.05516	0.7
107.04923	2.5
109.02901	1.2
109.06495	0.7
110.07205	0.8
117.03377	4.8
118.08660	1.0
119.04919	1.8
127.03898	3.2
129.06589	0.6
135.04405	15.5
137.05930	0.8
145.02844	10.7
145.04929	5.0
147.04373	7.1
163.03894	100.0
164.04230	1.7
165.05486	4.0
165.09052	0.7
174.72119	0.7
180.08659	0.7
181.04948	39.7
182.05322	0.9
185.16479	0.9
197.12820	0.8
198.07733	0.7
213.16003	0.9
215.13919	1.5
298.11520	1.9
360.01785	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58765	0.9
55.01842	1.2
55.05472	1.1
56.05004	1.2
57.92733	0.8
60.04492	1.3
65.03922	1.3
65.52818	1.0
67.05479	2.7
69.03418	2.4
69.07019	1.5
69.40078	10.8
70.06575	7.2
70.67017	1.0
71.04970	1.3
72.08139	2.3
79.05457	2.3
81.03391	1.7
81.07028	1.9
84.04492	13.6
84.08109	2.6
85.02889	8.0
86.09694	12.3
87.10012	2.7
91.05474	3.0
93.07014	2.0
95.04979	1.3
97.02866	2.7
98.20685	1.5
105.06990	1.2
107.08553	1.6
117.07001	3.4
121.02853	2.6
121.10080	1.5
127.03945	2.4
131.08530	1.3
133.02835	2.1
135.04396	4.2
136.07571	1.6
149.02321	100.0
149.09596	1.0
150.02551	1.2
163.03886	66.2
163.07491	1.5
164.04257	1.7
165.77660	0.9
167.03340	2.2
180.08687	1.1
181.04935	28.5
185.11717	1.1
189.94324	1.0
200.13914	2.8
201.12416	1.1
201.14310	1.7
229.13809	1.1
250.14435	1.3
304.46262	1.1
342.18747	1.1
347.70126	0.9
360.16025	1.6
360.20078	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1697
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
50.17498	0.6
53.03912	0.6
55.01851	0.9
55.05517	0.8
57.03416	0.8
61.02913	2.0
67.05491	1.1
67.80035	0.5
69.03423	3.7
69.07063	0.9
70.06581	1.1
70.99309	1.5
71.04994	0.6
72.08152	0.7
76.61832	0.5
79.05475	2.4
81.03406	1.0
81.07039	1.4
84.08113	1.2
85.02895	8.8
86.09697	4.8
91.05457	2.7
93.07035	5.8
94.97560	0.7
95.04948	1.0
95.08590	1.9
97.02890	2.9
97.06519	0.7
105.07024	7.2
107.08581	32.3
108.08896	0.7
109.02858	0.8
109.06478	1.1
109.10139	1.8
117.07010	0.7
119.04906	0.9
119.08568	4.6
120.08114	0.7
121.06528	0.6
121.10117	6.0
123.08064	0.7
123.11679	1.0
127.03883	1.6
130.20358	0.7
131.04919	0.6
131.08548	1.0
133.10118	18.5
134.10431	0.7
137.05936	2.4
137.09634	1.0
139.07483	1.6
144.11827	0.6
145.04893	1.1
147.04390	0.9
149.09576	3.7
151.03871	2.0
151.07518	1.3
151.11156	7.7
153.05492	0.7
161.09616	4.9
167.10655	14.3
179.10657	17.5
180.11014	0.7
197.11710	100.0
198.12030	3.1
200.13921	1.5
252.68640	0.5
264.17468	0.5
271.06055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.7
55.01860	2.7
55.05503	1.4
56.96559	1.6
57.03409	1.8
61.02908	3.5
67.05495	1.7
69.03425	8.8
69.07046	3.6
70.06569	5.3
71.25946	2.3
72.08128	3.4
73.02889	2.9
79.05479	2.9
81.03399	6.1
81.07034	3.2
84.04510	1.8
84.08122	4.5
85.02901	32.9
85.06504	1.3
86.09699	29.9
87.04443	2.2
87.05553	1.8
91.05467	5.7
93.07047	9.0
95.04945	3.4
95.08597	1.4
97.02885	12.6
97.06507	1.4
99.04429	2.7
99.41338	1.1
105.01875	1.4
105.07025	7.3
107.04950	1.4
107.08575	22.0
109.02867	2.9
109.06500	1.3
109.10097	2.9
110.02364	1.6
117.06995	1.3
119.04890	2.1
119.08548	4.7
121.06498	3.7
123.04472	1.8
123.08006	1.1
127.03905	10.0
129.10237	2.8
133.10121	23.3
135.07933	1.2
135.11690	22.0
137.05995	5.8
137.09566	1.3
141.10179	2.3
145.04939	5.8
147.04379	2.3
151.11145	1.9
161.09607	14.0
167.07022	2.3
179.10646	39.2
183.11371	1.8
186.98903	1.1
187.10887	1.5
197.11711	100.0
198.12012	1.7
200.13995	2.4
211.10716	1.5
212.09239	1.4
228.13438	6.6
229.11687	2.7
246.14467	3.5
296.19675	2.8
297.11124	2.9
309.08548	1.3
317.11203	2.2
359.12463	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.8
55.05503	7.7
56.05009	0.6
59.04979	1.0
61.81739	0.5
65.03925	0.7
67.05476	1.7
69.07062	25.2
69.85556	0.6
69.94988	0.5
70.06577	2.4
71.04987	0.7
71.10425	1.0
71.10744	0.6
72.08151	3.7
73.06552	3.0
78.70506	0.6
79.05486	6.3
81.03420	0.9
81.07041	2.8
81.62887	0.6
83.04974	5.6
84.04466	0.8
84.08125	1.0
86.06058	24.3
86.09701	18.2
91.05447	1.8
92.28915	0.6
93.07022	1.3
95.04945	1.1
95.08607	1.0
96.08123	8.3
97.06520	4.3
98.06030	1.5
98.09694	7.9
100.07578	0.5
101.06014	5.4
105.07013	1.0
108.08118	3.7
109.02885	0.6
109.06480	1.3
109.10105	0.7
110.00587	0.6
110.09661	0.8
111.04439	6.2
112.07574	0.7
114.09147	1.3
115.07529	2.7
116.10722	64.1
119.04915	1.6
121.08900	0.8
122.09625	1.6
124.07594	3.1
126.07570	0.6
126.09133	1.6
129.05447	2.3
129.07016	0.8
131.04878	1.0
134.09650	0.9
137.05951	3.9
138.06332	0.8
140.10641	0.7
142.08606	7.4
147.04388	2.0
150.12685	0.8
151.03897	5.6
151.07585	0.9
151.11176	1.0
153.01794	2.3
153.05499	0.9
154.08627	1.1
155.07042	1.1
159.10130	3.1
164.04718	1.1
164.14322	0.7
170.15407	0.9
172.09691	1.4
173.08049	3.2
175.07372	0.7
179.06947	2.7
180.13832	0.8
182.15404	1.1
184.16988	0.7
192.04216	1.0
194.15408	2.0
199.18085	5.2
205.04984	0.7
207.06424	1.9
212.16440	16.4
226.14246	1.4
227.17561	1.8
230.17499	100.0
231.17770	1.0
237.07544	12.6
244.15398	7.5
287.05515	1.0
297.03897	0.7
308.10172	0.7
313.06812	0.7
317.06430	3.1
326.04013	1.3
340.21249	4.6
341.06512	1.5
343.06805	0.8
358.09393	6.6
358.13269	1.0
358.22214	18.2
359.14902	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
55.05267	0.9
55.05505	10.9
56.05005	1.0
57.07058	0.8
59.04983	1.3
62.06074	1.5
67.05488	2.6
68.40218	0.6
69.03416	1.9
69.07061	26.9
70.06589	3.3
71.04977	0.8
71.58206	1.0
72.08144	3.4
73.06548	3.9
79.05125	0.7
79.05485	6.7
81.05804	0.7
81.07051	5.2
82.06562	1.0
83.04507	0.9
83.04971	9.8
84.04482	1.4
84.08129	2.8
84.69675	0.7
85.02872	0.8
85.06504	0.9
85.43484	0.7
86.06061	24.5
86.09683	1.0
91.05454	1.3
92.34821	0.7
93.07019	2.1
95.04940	1.2
95.08601	1.1
96.08125	7.5
97.06525	4.0
98.06029	1.9
98.09689	13.1
99.04456	1.3
100.07597	1.0
101.06008	7.2
103.05404	0.6
105.06997	1.2
107.04923	1.1
107.08570	1.6
108.08118	4.4
109.06499	2.1
109.10166	0.8
110.09662	1.4
111.04433	7.6
113.05953	0.7
114.09151	1.7
115.07558	3.2
116.10717	59.6
117.11092	1.0
119.08614	0.9
121.08805	0.9
121.10133	1.0
122.09629	2.4
124.07558	4.1
126.09138	1.3
129.05505	3.6
134.09682	1.1
135.03729	0.6
135.10403	0.7
137.05968	0.8
138.06352	0.7
138.09105	1.5
140.03474	0.8
141.98271	0.6
142.08623	7.9
147.06487	0.7
150.12753	0.7
151.11142	1.3
152.10680	1.4
154.08601	2.3
155.07045	3.4
159.10178	4.9
163.07541	0.7
165.09084	1.2
166.12292	1.2
170.15388	0.9
172.09686	2.3
173.08066	6.0
176.14282	0.9
178.04561	0.7
182.15395	1.4
190.12250	0.8
194.15395	2.7
208.13234	0.9
212.16408	17.2
215.11238	0.8
222.11313	0.8
226.14363	6.0
230.17499	100.0
231.17865	1.7
244.15427	11.5
250.10637	1.5
268.11954	1.1
313.28415	0.7
314.17477	1.9
340.21173	15.5
358.22507	13.7
359.16687	1.7
369.98999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.0
55.01864	20.4
55.05490	7.1
56.22172	1.5
57.03395	1.8
59.04984	3.6
61.02914	1.9
65.03937	7.6
67.05485	2.5
69.03414	3.3
69.07057	16.1
69.72306	5.0
69.72741	6.6
70.06581	12.1
71.04970	1.7
71.07368	1.9
72.08137	2.8
72.29670	1.4
73.02907	1.7
77.03912	4.7
79.05483	66.8
81.03399	4.5
81.07033	3.0
83.04953	4.2
84.08118	3.5
85.02897	12.2
86.06058	12.2
86.09712	10.5
88.01308	1.6
89.03922	1.7
91.03933	1.8
91.05463	63.2
93.07041	2.1
94.98506	1.5
95.04961	18.2
95.08555	1.7
96.08125	3.4
97.02881	5.3
98.09676	4.2
99.04406	1.4
101.05999	2.9
103.05453	38.3
103.07550	2.1
105.03381	17.4
105.04500	4.0
105.07017	78.1
106.07391	1.9
107.04960	1.8
108.08103	1.3
111.04451	3.3
114.09121	1.5
115.05437	31.4
115.07498	1.8
116.10716	37.4
117.21731	1.4
119.04926	24.6
119.08614	2.0
120.08140	1.6
121.06444	1.4
124.07511	1.5
125.33643	1.4
125.87418	1.4
127.03889	2.1
131.04889	3.9
132.99113	1.5
133.02802	4.6
133.06473	43.6
137.05933	6.2
142.08606	3.1
159.10175	1.8
161.05965	100.0
162.06367	2.3
177.05484	2.4
178.08650	2.0
179.06691	1.9
212.16412	10.9
226.14320	2.4
230.17497	52.4
244.15382	5.1
311.12808	2.2
340.21075	3.2
358.13541	2.7
358.22226	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2419
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
53.03933	15.3
55.01860	14.7
55.05497	27.5
57.03422	3.8
57.07071	20.8
59.54225	3.2
60.27394	3.4
65.03926	11.9
67.05489	39.2
69.03428	4.2
69.07053	15.1
69.99467	14.3
77.00273	6.5
77.03894	7.2
79.05481	70.9
81.03390	3.7
81.07050	30.8
83.04963	4.1
83.08596	9.6
91.05472	100.0
93.07033	33.3
95.04945	21.2
95.08604	19.3
97.06545	4.6
97.10127	6.2
98.20668	3.5
103.05446	14.2
105.03392	36.7
105.04474	5.0
105.07018	57.1
107.04950	18.1
107.08588	30.1
109.06471	5.2
109.10141	9.9
111.08088	7.6
115.05451	13.9
116.14633	3.4
117.07005	24.7
119.04974	16.1
119.08547	31.6
121.02891	10.1
121.06492	10.5
121.10107	7.0
123.08056	4.4
125.09656	5.2
128.06227	23.4
129.07031	27.1
130.07813	4.7
131.08501	18.1
133.02844	6.7
133.06473	13.2
133.10120	12.2
135.08089	6.8
137.09572	5.0
141.06976	8.4
142.07793	6.7
143.08556	19.8
145.06468	12.5
145.10077	16.3
146.91106	4.1
147.04361	10.0
147.08015	7.2
149.05992	4.8
151.03856	7.4
153.07021	3.7
155.08507	11.2
157.10115	10.3
159.07994	6.0
161.05946	6.9
161.09566	4.1
165.07002	10.3
165.09122	5.7
167.08551	10.0
169.10068	9.2
171.08017	5.5
171.11670	5.8
179.08455	6.7
181.10112	6.5
185.09572	4.5
185.13158	3.9
195.11664	4.3
197.09689	6.0
199.14864	3.7
203.14371	10.6
209.13364	4.0
213.12579	5.2
218.37050	3.5
221.15398	6.2
231.13786	11.3
339.23212	4.4
357.24142	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.258
Annotation	Yunnandaphnine D
Peak:m/z	Relative Intensity
51.24429	0.5
54.57841	0.4
55.05503	1.7
57.07025	0.5
62.59338	0.5
63.80016	0.5
65.82152	0.4
67.05489	0.6
69.07054	1.9
79.05490	1.0
81.07035	0.9
82.76014	0.5
91.05436	1.0
93.07024	2.1
96.60925	0.4
97.95200	0.5
104.05016	3.1
105.07040	0.8
106.06532	0.7
109.06505	0.5
110.74026	0.5
115.05433	1.4
117.05740	1.1
117.06987	0.9
118.06538	0.6
122.06036	1.7
129.06993	1.6
130.06473	1.2
131.07280	0.7
131.08542	1.4
132.08060	1.7
134.05995	0.6
138.05470	1.1
142.06570	0.7
142.07761	1.2
143.07309	0.8
143.08511	0.5
144.08060	1.6
146.06018	0.8
147.06767	0.6
148.07559	1.3
150.05481	3.1
152.06166	0.8
156.08141	2.3
157.08865	0.6
157.10126	1.4
160.07553	2.8
161.60193	0.5
164.07083	1.0
167.08528	2.0
168.08066	2.1
169.08861	4.9
170.09566	0.7
174.09183	0.5
175.06236	1.0
176.07088	1.4
182.09521	0.5
184.07492	0.8
184.11218	5.7
188.07079	0.9
200.07114	0.6
202.08694	0.9
202.12210	4.4
218.11549	0.6
220.13303	8.6
242.15445	0.6
246.14809	1.3
248.12950	0.7
256.16959	0.9
257.14102	0.9
258.14835	7.6
259.15588	1.3
268.17053	0.9
270.15265	0.6
270.18527	0.6
280.16727	0.6
281.17935	0.5
294.18271	0.6
328.26364	1.0
338.24619	3.6
339.25119	0.5
356.25809	100.0
357.26144	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75354	3.6
55.05495	7.0
56.57227	4.3
57.03413	7.2
57.07048	4.8
67.05503	8.8
69.03423	7.2
69.07059	8.6
70.06582	29.3
71.69834	3.8
71.73662	5.0
72.08135	6.2
73.02907	5.3
73.04756	4.4
79.05470	8.3
81.03408	5.6
81.07042	9.8
84.04517	9.3
84.08138	8.3
84.62804	3.8
85.02872	29.0
85.10180	8.8
86.06018	4.5
86.09698	34.5
87.04491	4.6
91.05774	16.8
93.07001	9.9
95.04985	4.3
95.08593	65.0
97.02885	10.3
101.91666	3.9
105.03379	11.6
105.07062	5.2
106.25001	4.9
107.08591	6.9
109.06443	3.8
110.07159	10.8
113.09624	77.5
113.10346	5.2
123.08058	13.6
127.03936	4.4
131.10669	100.0
131.11581	7.7
132.10228	9.9
137.05933	8.3
138.06310	4.5
145.04942	8.8
147.04413	4.7
151.03888	6.3
177.11240	28.1
188.09190	7.8
199.02721	4.7
201.05435	4.5
202.05968	7.1
211.07602	5.0
212.16447	14.2
236.51903	3.9
237.09055	7.0
247.07484	4.9
255.28764	4.6
286.00955	9.7
287.00565	4.5
298.86163	4.5
313.10638	10.4
346.04282	4.4
356.07065	5.0
356.12216	4.6
356.17477	14.8
356.21597	11.4
357.13562	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2837
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03929	3.0
55.01857	1.6
55.05503	35.1
57.03427	11.2
57.07063	14.6
65.85192	1.5
67.05496	71.4
68.05820	1.9
69.07056	42.7
71.04971	2.5
71.08622	6.1
79.05475	26.3
79.67287	1.5
81.07045	100.0
83.04983	2.1
83.08603	33.4
85.06533	3.2
85.10175	2.6
91.05447	19.1
93.07030	26.7
94.88571	1.5
95.04961	2.3
95.08595	88.6
97.06512	13.8
97.10163	19.7
98.21445	3.7
99.08085	4.4
103.03934	3.5
105.07008	11.3
107.08582	23.7
109.06510	3.3
109.10147	47.9
109.79395	1.8
111.08036	4.9
111.11703	7.0
117.78284	1.5
119.08559	15.5
121.10140	29.9
123.08067	1.9
123.11683	21.2
123.12505	2.3
125.09592	3.0
125.13280	2.1
129.05446	2.1
133.10123	18.4
135.11685	16.4
137.09602	3.9
137.13243	8.0
139.11131	2.8
141.12740	3.2
147.11659	12.0
149.13194	13.2
151.11110	2.3
151.14801	7.1
153.12697	2.6
161.13243	14.8
163.14821	12.1
165.12767	2.8
165.16399	6.7
167.14304	3.1
175.14812	8.6
177.16360	3.1
179.17972	4.7
181.15877	2.4
189.16357	6.2
193.15865	1.9
203.17975	2.4
207.17464	2.0
245.22609	41.8
246.30748	1.7
263.23657	44.4
264.23904	2.0
265.25296	2.0
333.37988	1.5
337.27325	26.1
355.24576	2.0
355.28799	10.2
355.33710	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95365	4.3
55.05502	36.8
57.03425	13.6
57.07076	20.0
58.00265	3.8
67.05495	81.1
69.07056	42.8
69.58059	4.5
69.58385	39.2
71.08606	11.1
79.05474	33.3
81.06600	7.2
81.07044	100.0
83.08607	34.9
85.10160	5.2
91.05440	20.9
93.07021	34.9
95.04963	7.3
95.08591	88.4
97.06532	13.8
97.10163	16.9
98.21510	8.4
99.08088	4.5
105.07011	16.8
106.79605	4.2
107.08588	29.3
109.10126	46.2
111.11685	6.9
119.08570	17.0
121.10128	36.9
123.11718	22.5
133.10129	22.2
133.11018	3.7
135.11653	22.2
137.13252	9.0
147.11682	16.0
149.13232	13.5
151.14755	5.8
161.13251	15.5
163.14745	12.2
165.16374	8.2
167.14311	4.3
174.08461	4.4
175.14830	10.8
189.16373	8.9
245.22572	53.0
263.23669	47.3
265.22928	3.8
311.70389	4.3
337.27301	26.6
355.28339	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2835
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.01865	3.1
55.05231	2.9
55.05499	40.5
57.03423	12.2
57.07064	15.3
67.05492	70.1
69.07058	51.4
70.06481	12.4
71.04958	3.4
71.08617	7.4
79.05482	25.7
81.07042	100.0
82.62601	2.0
83.04956	4.0
83.08601	34.6
85.06517	3.8
85.10162	4.5
86.75055	2.1
89.67187	2.1
91.05441	18.1
93.07024	26.5
95.04981	2.1
95.08593	71.9
97.06525	11.9
97.10146	19.9
99.08097	3.4
103.03944	2.3
105.07005	16.7
107.08570	21.0
109.06564	2.3
109.10132	47.4
111.08035	2.4
111.11696	6.6
119.08557	14.5
121.10120	28.5
123.11688	19.8
125.09612	3.3
125.13293	2.5
129.05424	3.5
131.08615	2.1
133.10123	20.2
135.11656	14.3
137.13284	10.4
137.77693	2.2
141.12720	2.2
147.11661	15.6
149.13216	15.6
151.14767	5.6
161.13214	14.3
163.14825	13.7
165.12650	2.3
165.16353	5.7
167.14267	2.1
175.14777	10.3
177.16367	2.8
179.17943	5.1
185.37718	2.2
187.07501	2.7
189.16415	7.7
212.45001	2.1
215.07007	2.6
229.08569	2.3
245.22600	47.8
246.22910	3.5
263.23669	44.5
337.27255	31.1
349.67145	2.1
355.22821	13.4
355.28085	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2837
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03934	4.0
55.01848	4.6
55.05501	36.0
57.03421	14.6
57.07053	9.8
65.03907	2.1
67.05494	74.1
69.07059	39.7
69.52704	23.6
70.16148	2.2
71.04983	3.8
71.08598	6.9
79.05473	25.8
81.07045	100.0
83.08605	33.6
85.06515	4.3
88.90614	2.3
91.05431	16.5
93.07034	33.3
95.04909	2.8
95.07995	4.2
95.08590	75.6
96.08917	2.0
97.06496	8.2
97.10148	22.2
99.08062	2.6
105.07005	19.8
107.08567	20.7
109.06481	7.3
109.10147	38.8
111.08055	3.6
111.11706	5.2
111.12387	2.3
117.06968	2.4
119.08562	16.5
121.10144	25.1
123.11687	22.7
125.13254	4.1
129.59248	2.5
133.10106	18.8
135.11684	14.2
136.01732	2.3
137.13206	8.0
139.11111	3.3
147.11674	10.7
149.13268	14.2
151.11172	3.0
151.14838	6.4
161.13223	15.8
163.14760	14.1
165.12724	3.9
165.16351	7.6
175.14792	14.3
179.17961	3.5
189.16377	7.4
217.19582	3.6
221.22491	2.2
245.22614	42.8
246.22832	2.8
247.24161	2.8
263.23651	42.9
295.20798	2.5
337.27307	29.5
355.22375	3.1
355.28323	6.4
356.35379	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92859	1.6
53.03930	5.5
55.01860	14.3
55.05499	16.4
57.03426	39.9
59.15425	1.4
65.03925	3.3
67.05495	47.3
69.03428	8.7
69.07053	70.2
69.43581	17.3
71.01335	4.5
71.04975	4.6
73.04747	4.1
73.06544	3.0
77.03913	1.5
79.05479	54.7
81.03408	50.4
81.07043	77.5
83.04974	13.4
83.08598	4.8
85.02894	35.3
86.09704	1.9
91.05448	89.6
93.07028	51.2
95.04953	13.7
95.08593	40.3
97.02878	4.1
97.06510	27.7
97.10126	1.8
99.04427	3.2
99.08068	7.3
101.02367	2.1
103.03957	2.9
105.07010	18.6
107.04920	5.9
107.08574	27.8
109.02903	3.5
109.06497	8.0
109.10133	25.6
111.04433	4.4
111.08068	3.9
113.05938	1.9
115.05434	2.2
117.06998	11.3
119.03405	6.3
119.04905	2.0
119.08561	100.0
120.08965	1.6
121.06499	7.7
121.10120	31.0
123.04372	1.6
123.08060	18.5
123.11694	2.0
125.05971	6.5
125.09591	9.9
125.42595	1.8
127.03914	1.9
128.06206	3.1
129.06967	11.0
131.04865	2.4
131.08525	11.2
133.06474	2.1
133.10107	10.3
135.08026	6.0
135.11656	4.8
137.05956	4.2
137.09590	66.4
141.06964	3.4
142.07796	1.8
143.07021	21.8
143.08519	6.7
145.06461	3.4
145.10092	3.9
147.04335	1.9
147.08025	18.3
147.11661	4.7
149.09554	7.7
151.07500	2.5
153.01834	4.9
153.07016	2.4
153.09053	10.4
157.06479	5.8
157.10121	4.8
159.06506	3.9
159.07939	2.2
159.11699	3.7
161.05942	3.0
161.08066	6.9
161.09430	3.8
165.07014	2.7
165.09084	52.3
166.07797	2.0
167.08565	5.8
169.06430	2.4
169.10088	2.0
171.08070	3.3
171.11713	2.2
172.08736	2.9
173.05907	2.3
173.09552	1.9
173.13237	2.4
175.07483	1.9
175.11172	2.2
175.14818	4.5
179.08728	2.0
181.06409	2.7
181.10078	3.5
182.07179	2.6
183.08177	3.0
183.10159	13.2
183.11566	2.4
184.08862	5.7
185.06062	2.4
185.09550	7.9
185.13278	1.8
187.07564	3.6
189.05196	1.9
189.08925	1.6
189.16327	3.5
191.08536	1.8
193.08485	1.8
195.08061	5.8
195.09918	1.9
195.11659	3.6
196.08781	2.1
197.05959	9.0
197.09627	2.3
199.07578	3.4
199.11295	1.9
199.14781	8.7
201.05356	3.8
201.09084	4.4
206.07234	1.7
207.07971	2.1
208.08728	2.1
209.09520	2.6
210.06744	2.2
210.10313	1.5
211.07469	3.1
211.11215	3.0
212.08240	15.8
213.09032	8.8
213.12755	4.5
215.07008	3.4
217.15851	13.7
221.05930	2.1
221.09558	2.9
221.11627	3.4
223.07518	1.7
223.11177	5.0
225.09019	8.0
226.09552	2.0
227.07018	3.5
227.10617	2.2
227.14345	2.6
237.09024	5.2
237.12643	1.8
238.09891	2.2
239.10535	4.0
239.12791	10.1
241.08521	3.8
241.12199	36.8
241.14366	1.3
242.12480	2.0
245.15367	9.2
249.09273	2.7
252.07631	1.7
255.13707	1.9
257.11578	2.3
257.13953	3.6
259.09583	2.4
263.07150	2.0
263.10272	1.6
263.16461	6.3
265.08609	2.3
265.12149	3.5
267.10181	5.1
267.13809	5.5
268.97772	2.3
269.04379	2.7
269.11731	10.7
270.05072	2.7
271.13611	1.9
277.08798	2.2
281.08176	1.7
283.13278	3.5
285.00955	3.8
293.11710	6.7
295.09570	2.0
299.12769	3.4
305.07864	2.5
309.10971	2.0
309.14713	3.1
311.12753	18.5
311.16409	4.8
312.12930	2.0
313.14325	4.5
319.18939	2.0
323.09119	2.6
327.15927	4.6
337.10638	2.1
337.14377	4.8
337.20135	6.1
355.08093	34.8
355.15378	37.6
355.21100	32.7
356.08304	3.9
356.15811	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1724
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
53.03950	0.7
53.62124	0.4
55.01867	0.5
55.05502	1.7
57.03432	0.9
58.70737	0.4
67.05496	1.2
69.03419	1.6
69.07067	1.1
70.06619	0.5
70.24202	1.4
71.05003	0.5
73.04747	1.4
77.31751	0.4
79.05490	1.1
81.03413	3.6
81.04415	0.5
81.07056	1.9
81.45738	0.5
82.06562	1.3
83.04990	1.0
83.08617	1.0
84.04494	0.6
84.08133	2.4
85.02892	1.5
86.09715	0.7
91.05858	2.9
91.16926	0.4
93.07030	1.9
95.04945	1.4
95.08617	1.1
97.02883	1.2
97.06519	0.5
99.08078	0.7
100.11264	1.2
101.00943	0.5
105.07016	1.6
107.08604	1.1
109.02869	1.7
111.04462	1.5
111.08088	0.6
119.01894	1.1
119.08550	0.8
127.03902	2.1
131.08594	0.5
133.06505	0.5
133.10017	0.6
137.05972	1.9
143.01900	0.9
147.11674	1.0
161.02954	1.5
165.12810	0.5
171.08055	0.4
175.11308	0.6
179.30534	0.5
182.15372	2.2
187.05890	2.2
193.12253	1.5
201.03804	0.9
201.05495	1.7
203.05357	0.5
205.06989	0.6
210.14897	3.6
211.13246	0.6
216.00989	0.5
222.23111	0.5
228.16055	0.5
253.12727	0.6
268.97842	1.1
285.01108	1.2
287.94867	0.4
337.20981	1.0
355.17236	100.0
356.17667	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1021
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
53.95449	0.5
55.01882	0.6
65.38969	0.5
69.03406	0.7
70.06579	1.4
71.36873	1.4
72.08141	0.7
73.04747	3.1
74.79761	0.5
79.05470	1.2
81.03397	0.8
83.04986	1.3
83.08573	0.5
84.08125	0.8
85.02893	1.1
87.28246	0.5
89.03902	7.4
91.05790	10.2
95.04975	0.6
97.02887	1.4
98.97576	0.5
105.52891	0.6
107.04935	2.2
109.02874	0.7
110.07112	0.8
111.04436	0.8
114.07338	0.8
117.03370	8.0
127.03908	1.0
135.04401	19.8
145.02835	11.8
150.71489	0.5
163.03889	100.0
164.04202	1.8
175.05827	0.8
187.06012	1.2
193.04988	0.8
205.07214	0.5
237.46977	0.5
246.91089	0.5
268.97769	2.7
270.02936	0.5
285.00940	3.6
303.01846	1.1
355.06873	2.9
355.11249	0.5
357.05179	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81678	3.4
56.96549	10.1
61.02910	3.3
67.67356	3.6
69.03403	8.7
70.20975	16.8
73.04741	20.7
82.12962	3.1
84.08114	5.8
85.02879	14.3
91.05249	5.1
91.05791	100.0
93.90559	3.3
97.02883	7.9
98.21449	3.5
98.97560	27.4
110.97602	3.4
114.07311	4.2
116.98613	19.1
127.03873	9.6
128.98576	7.3
134.99644	11.1
146.99634	14.7
158.99638	4.7
161.02855	3.8
161.13264	4.0
164.97789	3.1
171.90373	3.4
177.00665	6.2
196.39793	3.8
219.01677	9.5
233.93579	3.1
237.02867	19.2
246.05136	3.9
268.97736	26.7
280.44070	3.7
285.00940	37.1
303.02078	6.9
311.82205	4.1
355.07120	49.8
356.07367	4.3
356.13235	5.2
373.08127	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3363
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05507	7.5
55.35742	0.4
56.05031	0.5
57.05807	1.1
57.06796	0.5
57.07071	11.2
58.02955	1.8
58.06596	14.6
58.99286	0.4
59.06134	0.6
60.04258	0.6
60.04524	6.9
67.05495	5.2
69.07063	14.8
70.02958	2.6
70.06586	5.4
70.07381	0.6
71.04987	1.2
71.08629	6.8
71.74976	0.7
72.04497	2.0
72.08128	0.8
74.06065	2.3
75.21084	0.5
79.05489	1.2
81.07047	10.4
82.06561	0.9
82.07386	0.5
83.04979	0.9
83.08611	8.6
84.04497	0.5
84.08128	4.4
85.06517	0.6
85.10165	3.8
86.06049	3.4
87.06819	1.0
91.05743	0.5
93.07034	1.1
95.04969	1.0
95.08604	13.4
96.08153	0.8
96.08795	0.5
96.66426	0.4
97.06490	0.8
97.10162	6.5
98.06083	0.4
98.09695	1.1
98.78704	0.5
100.00337	0.4
100.07652	0.4
105.07021	0.5
106.26080	0.4
107.08556	1.3
108.04479	0.4
109.06483	0.6
109.10149	7.2
111.08041	0.9
111.11716	4.1
112.07635	0.7
112.11227	0.6
115.82229	0.4
118.25453	0.4
119.08559	1.0
121.10110	0.4
123.08073	1.0
123.11687	4.3
125.13282	1.1
135.11688	0.9
137.13234	1.4
151.14688	0.9
152.74982	0.4
161.92871	0.4
237.43555	0.4
250.34624	0.5
268.29904	2.8
277.28918	0.6
294.31531	2.5
301.28915	0.4
306.31595	2.8
307.29672	2.1
308.33087	2.9
318.31479	1.2
319.29932	0.5
324.32639	0.8
326.34024	3.9
336.32581	13.3
337.30914	1.4
354.33633	100.0
355.34009	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.6
56.89735	0.6
57.07066	5.9
59.04993	35.3
67.05489	4.8
67.88714	0.5
68.05827	1.2
69.07073	0.8
70.10301	2.8
72.30331	0.5
79.05475	1.8
79.29298	0.5
79.47428	0.5
80.30896	0.5
81.07043	5.6
82.07364	1.3
83.08591	2.1
84.99482	0.5
87.04456	13.3
89.06012	2.7
93.07023	2.2
94.07340	1.3
95.08596	2.3
96.08912	1.0
101.09635	3.9
103.07566	100.0
104.07880	1.5
105.06982	0.6
107.07053	0.9
107.08588	1.6
108.08984	0.8
109.10143	2.0
110.10505	1.2
119.07053	3.8
119.08545	0.7
121.08630	0.9
121.10147	1.5
122.10496	0.9
123.11667	1.0
135.11676	1.2
136.12015	1.2
145.10048	0.8
150.13593	1.0
151.53308	0.6
163.13290	2.4
164.15288	0.7
174.13657	0.8
174.41028	0.6
175.13303	3.2
214.32062	0.5
218.19550	0.5
244.21439	1.3
262.22424	4.5
267.08075	0.5
354.27338	1.2
355.07025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01851	6.1
55.05509	15.9
56.05031	21.0
57.03441	2.5
57.07055	3.6
60.04526	13.7
62.43159	2.0
65.03922	2.5
65.27888	1.9
66.72601	2.1
67.05501	39.8
69.07063	19.9
71.10168	7.2
75.27773	2.0
79.05493	19.8
81.03384	2.3
81.07046	37.8
82.06564	9.1
83.04998	5.5
83.08605	8.7
91.05472	10.2
93.07043	17.0
94.06541	10.7
95.04951	4.1
95.08582	17.6
96.08100	3.4
97.06519	8.2
97.10130	3.7
100.11225	4.8
105.07022	8.4
107.08576	9.6
108.08109	4.5
109.06509	4.9
109.10160	33.4
111.08079	2.7
119.08546	17.1
121.10103	6.6
125.09636	7.7
129.07030	3.5
131.08597	3.6
133.10121	7.3
135.11656	5.1
136.11165	5.1
137.09615	13.3
141.52979	2.0
143.08582	2.9
145.10098	2.3
149.13255	2.5
151.11192	4.8
154.12256	100.0
161.13219	2.8
166.15970	6.7
167.10696	7.3
172.11848	2.8
172.13322	55.1
173.11691	5.2
182.15378	4.2
196.13316	46.2
196.14998	3.1
214.14410	9.6
268.97913	2.3
276.23239	3.7
277.21613	17.9
290.24924	2.5
294.24292	27.6
308.25781	31.2
309.26083	2.7
312.25198	5.2
318.24612	2.7
336.25232	7.3
354.26379	84.5
355.15356	5.2
355.21536	3.2
355.26736	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.118
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03931	0.9
55.05526	0.4
56.05033	0.5
56.36502	0.3
57.03422	0.8
60.04517	0.4
61.02903	0.9
67.05499	0.8
69.03422	2.3
69.07058	0.3
69.73560	1.0
69.73981	1.7
70.06580	0.9
72.08138	0.3
73.02888	0.4
81.03381	1.2
81.07099	0.4
84.08099	0.9
85.02898	3.8
86.09677	0.3
87.04440	0.6
91.05463	2.1
91.05859	0.6
94.06564	5.2
95.04947	0.9
97.02870	1.4
105.03403	0.5
109.02828	0.7
117.05782	0.6
117.09139	0.5
118.06527	6.9
119.04923	0.4
120.08070	0.4
122.06017	5.1
124.66199	0.4
127.03884	1.4
129.10205	0.5
134.06026	0.8
145.05011	0.4
146.05998	14.2
147.06700	1.1
148.07507	0.8
150.05490	1.6
151.09860	0.4
160.05013	0.8
162.05469	1.3
163.03860	0.6
164.07054	6.7
174.05495	100.0
175.05852	1.8
176.07028	1.0
192.06534	52.6
193.06897	0.8
210.98956	0.4
234.07567	0.7
268.97916	0.7
285.01086	0.4
294.09695	0.4
317.93127	0.4
319.10205	0.4
336.10815	0.9
354.11810	44.0
355.07275	0.9
355.12125	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.18201	0.9
53.03930	3.2
55.01877	0.9
55.05503	14.1
57.03423	4.1
57.07062	5.1
65.03932	2.8
67.05497	91.5
68.05829	1.4
69.07058	14.7
71.04979	3.5
71.08607	1.8
73.06638	0.8
75.04441	1.2
77.03918	1.4
79.05482	49.0
81.03378	0.9
81.07047	100.0
82.07395	1.8
83.04945	1.7
83.08612	8.7
85.06526	3.4
91.05473	24.7
93.07034	66.3
94.07367	1.3
95.04953	4.4
95.08598	73.0
96.08954	1.2
97.06535	3.4
97.10150	4.0
99.08086	2.8
105.04550	1.1
105.07017	19.4
107.08579	44.3
109.06525	2.2
109.10145	37.4
111.08092	1.8
111.11704	0.9
113.09628	2.5
117.07011	11.3
119.08572	16.4
121.06496	1.2
121.10132	34.9
122.10454	1.3
123.08083	1.8
123.11688	21.2
125.09635	1.8
127.07519	0.9
129.06979	1.1
131.08553	23.9
133.10126	13.8
135.11678	31.2
137.09569	2.1
137.13258	8.1
145.10106	17.6
147.11662	12.1
149.09621	1.1
149.13235	19.1
151.11195	1.4
151.14764	2.2
153.12720	2.0
159.11674	17.7
161.13248	10.2
163.11185	1.1
163.14813	13.1
165.12727	1.8
173.13249	18.1
175.14842	3.1
175.32262	0.9
177.12735	1.9
177.16389	4.8
179.14304	1.9
187.14787	10.7
189.16220	1.3
191.14275	1.4
201.16385	3.3
205.15833	1.4
215.17976	1.9
219.17505	1.2
233.22682	5.1
243.21071	24.3
244.21390	1.8
261.22119	95.9
262.22382	4.4
263.23755	1.3
279.23209	4.2
317.24823	1.1
335.25784	6.9
353.26804	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
54.58960	0.9
55.05508	14.8
57.03432	9.2
57.07057	4.6
65.03910	3.2
67.05499	98.8
68.05811	1.6
69.07066	15.0
70.07369	2.3
70.07785	4.1
71.04965	2.1
71.08614	2.2
75.04460	1.9
77.03922	1.2
79.05484	42.0
81.07047	100.0
82.07369	1.9
83.04964	1.5
83.08617	6.7
85.06528	2.8
91.04914	1.9
91.05472	20.9
93.07036	49.8
94.07351	1.8
95.04944	3.5
95.08598	70.5
96.08900	1.8
97.06509	2.9
97.10152	4.0
97.17727	1.0
98.20756	1.3
99.08054	2.4
105.07021	18.8
107.08588	38.4
107.48140	1.0
109.06501	2.1
109.10145	34.5
111.08060	1.8
113.09598	1.6
114.86215	1.0
117.07021	8.3
119.08567	16.3
121.10133	27.0
123.08099	1.0
123.11689	20.6
125.09589	1.3
130.42690	0.9
131.08556	17.0
133.10112	13.9
135.08055	1.7
135.11674	22.8
137.09570	1.1
137.13228	9.0
139.11157	1.2
145.10103	13.5
147.11655	8.7
149.09589	1.1
149.13228	14.5
151.14804	2.3
159.11670	13.2
161.13237	9.9
163.11150	1.9
163.14803	10.4
165.12723	1.3
173.13249	17.9
175.14825	4.0
175.42166	0.9
177.12770	1.2
177.16347	4.9
187.14824	9.1
201.16350	3.3
205.15797	2.1
209.48065	1.1
219.17366	1.3
233.22583	4.7
243.21059	22.6
255.09045	1.0
261.22116	83.6
262.22333	6.1
263.23584	1.7
279.23090	7.7
334.97720	1.0
335.25729	8.6
353.20761	2.3
353.26923	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.05506	14.3
57.03436	4.9
57.07073	4.2
65.03925	2.6
67.05497	100.0
68.05832	2.0
69.07059	15.2
70.19688	0.9
70.19971	4.2
71.04973	3.3
71.08607	2.3
75.04471	1.1
77.03940	0.9
79.05482	51.2
81.07047	98.6
82.07372	2.6
83.04974	1.9
83.08607	7.0
85.06503	2.8
91.05469	21.5
93.07032	66.5
94.07361	1.8
95.04956	4.4
95.08597	68.1
96.08920	1.4
97.06523	3.0
97.10153	2.5
99.08081	2.1
105.07010	22.5
107.08582	43.9
108.08894	1.4
109.06492	2.5
109.10142	39.2
111.08024	1.8
113.09640	1.5
117.07011	9.8
119.08556	14.9
120.08943	1.1
121.10130	32.7
123.08074	1.8
123.11700	19.6
123.12602	1.1
124.12038	1.0
125.09593	0.9
127.11169	0.9
129.06931	1.3
130.07715	1.1
131.08546	21.8
132.08931	1.3
133.10118	14.3
135.11676	32.4
136.12015	0.9
137.09621	2.0
137.13251	7.8
139.11156	1.2
145.10106	17.0
147.11667	12.1
149.09633	1.5
149.13242	22.4
151.11113	1.0
151.14818	2.7
153.12711	2.0
157.10089	0.8
159.11667	16.0
161.13216	9.2
161.28571	0.8
163.14815	14.0
165.12749	2.0
166.84824	0.7
169.50354	0.8
173.13239	16.9
174.13565	1.0
175.14835	3.1
177.16405	4.4
179.14334	1.4
181.82202	0.9
187.14787	11.2
189.16197	1.1
191.14381	1.1
201.16344	2.5
205.15813	1.6
206.16795	0.9
215.17912	1.1
219.17516	1.0
233.22653	3.6
243.21075	21.4
244.21306	1.3
261.22113	97.9
262.22507	7.2
263.23590	1.5
279.23270	4.3
291.23123	2.1
335.25763	6.7
336.25934	1.0
353.26855	28.0
354.27106	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.01843	1.8
55.05503	17.1
57.03413	4.3
57.07055	4.5
65.03924	3.6
67.05495	95.3
68.05838	2.2
69.07047	12.5
69.95428	11.4
71.04979	2.8
75.04433	2.5
79.05070	3.1
79.05489	35.3
81.07047	97.7
83.08606	8.1
85.06538	3.0
91.05471	20.1
93.07029	52.1
93.97720	1.9
95.04955	3.9
95.08594	76.1
97.10141	4.2
105.07036	13.5
107.08578	34.5
109.06487	2.4
109.10143	42.9
111.08105	2.7
117.07004	7.3
119.08572	13.2
121.10133	28.9
123.11693	28.9
131.08557	18.4
133.10092	12.8
135.11681	27.1
137.13217	6.9
139.11250	3.0
145.10136	12.6
147.11682	7.4
149.13246	18.5
151.11212	2.0
151.14828	3.1
159.11665	16.1
159.71426	1.9
161.13217	6.0
163.14757	11.2
165.12738	2.1
171.59915	1.8
173.13217	17.6
177.16364	4.5
179.14340	2.3
180.15741	1.8
187.14751	9.4
201.16440	3.0
205.15842	2.4
217.67381	1.8
233.22627	4.2
243.21051	22.3
261.22119	100.0
262.22565	6.1
279.23196	5.8
280.75595	1.9
335.25809	9.5
353.26831	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	3.9
55.05505	16.0
57.03424	4.5
57.07064	7.9
65.03934	4.5
67.05498	98.5
68.05828	1.8
69.07063	16.5
69.59584	6.8
69.60017	3.9
70.06576	1.3
71.04988	2.1
71.08618	5.4
79.05483	61.3
80.05852	2.0
81.03399	1.2
81.07047	100.0
82.07393	2.5
83.04961	1.4
83.08604	9.1
83.88747	1.3
85.06551	2.6
85.10162	1.5
86.16640	1.3
90.83849	1.3
91.05470	31.6
93.07034	71.9
95.04955	5.0
95.08595	70.2
97.06516	4.5
97.10162	5.3
98.20660	1.5
99.08091	2.9
99.81016	1.3
105.04541	1.4
105.07018	23.2
107.08582	48.3
107.09308	2.7
109.06532	3.2
109.10144	28.8
111.08064	2.3
111.11768	1.5
113.09616	3.1
117.06991	11.2
119.08566	16.1
121.10128	35.2
123.08024	2.6
123.11703	13.4
125.09613	1.6
131.08556	27.6
133.10112	11.4
135.11674	27.3
135.12639	2.3
137.13255	7.2
145.10114	17.3
147.11659	13.0
149.13248	24.3
151.14810	2.8
153.12726	2.5
159.11656	11.4
161.13254	11.6
163.11159	2.3
163.14799	20.0
165.12701	2.0
173.13245	16.4
175.14796	6.4
177.12772	1.7
177.16434	8.1
187.14835	8.0
201.16376	2.0
214.33208	1.4
233.22548	6.6
243.21048	26.3
244.21516	2.2
261.22119	78.8
262.22443	5.3
279.23132	2.0
335.25781	7.2
353.26779	5.2
354.26346	3.0
354.33911	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
54.51098	0.8
55.05262	1.4
55.05504	14.4
57.03428	4.0
57.07076	4.6
57.07310	0.8
58.74599	0.9
65.03915	3.3
67.05494	90.1
69.07055	14.6
70.69958	1.7
70.70329	1.7
71.04971	3.4
71.08613	2.5
75.04460	1.0
79.05478	50.6
80.05812	1.1
81.07043	94.6
82.07368	2.3
83.04942	2.0
83.08615	7.4
85.06515	3.7
91.04905	2.0
91.05461	24.6
93.07028	60.8
94.07365	1.4
94.09218	0.9
95.04951	3.1
95.08591	66.9
97.06499	4.7
97.10146	3.9
99.08062	2.6
105.07008	19.1
107.08578	41.2
108.08941	1.6
109.06483	2.5
109.10137	35.3
111.08040	3.0
113.09650	1.2
115.05387	0.9
117.07005	8.6
119.08556	16.7
120.11002	0.9
121.10123	34.0
122.10448	1.5
123.08034	1.4
123.11697	20.1
125.09577	2.0
127.11139	1.0
129.07002	1.6
131.08545	20.2
133.10109	14.1
135.11674	31.1
137.13258	6.8
139.11145	1.9
143.08568	1.5
145.10091	15.7
147.11676	10.6
149.09605	0.9
149.13232	22.0
151.14819	2.5
153.12651	1.4
159.11670	14.3
159.86865	0.8
161.13240	8.2
163.11180	1.2
163.14778	12.3
165.12738	1.7
173.13223	16.4
175.14815	3.1
177.16356	5.6
179.14275	1.9
187.14801	10.0
191.14236	2.2
201.16373	3.4
205.15849	1.3
215.17964	1.3
216.75891	1.1
217.19406	1.0
233.19075	1.0
233.22511	4.4
243.21036	23.3
243.23518	1.2
244.21523	1.9
261.22110	100.0
262.22452	5.5
263.23691	1.5
277.02283	1.0
279.23221	3.7
312.26172	0.9
335.25775	7.1
353.26837	23.2
354.27191	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.45572	0.7
53.03930	2.0
55.05507	15.3
57.03436	7.3
57.07062	4.9
65.03926	3.4
67.05497	95.3
68.05821	1.0
69.06730	1.2
69.07063	13.9
71.04985	1.9
71.08620	1.5
75.04470	1.3
77.03935	0.9
79.05484	47.1
81.07048	100.0
82.07371	2.2
83.04963	1.4
83.08603	8.9
84.08920	0.8
85.06527	2.5
91.05468	22.8
93.07037	54.3
95.04960	2.7
95.08598	74.5
96.08897	1.9
97.06518	2.9
97.10148	3.6
99.08051	2.9
105.07020	15.1
107.08582	34.4
109.06483	2.2
109.10146	40.1
110.10513	1.1
111.08065	1.8
113.09599	1.7
117.07027	8.9
119.08572	14.0
121.10128	27.1
122.10486	1.1
123.08089	1.8
123.11689	22.2
131.08542	19.6
133.10112	14.9
133.11026	1.6
135.08109	0.9
135.11679	26.5
137.09662	1.2
137.13237	8.0
139.11171	1.6
145.10103	14.2
147.11650	10.8
149.09633	0.8
149.13252	18.6
151.11186	1.5
151.14815	2.2
153.12744	1.3
159.11665	14.3
161.13231	8.2
163.14801	10.2
165.12712	2.1
173.13243	13.9
175.14771	2.6
177.12726	1.1
177.16313	4.9
179.14232	0.9
187.14810	8.7
201.16377	3.3
203.13126	0.9
205.15828	0.8
215.17996	0.9
219.17387	2.2
233.22627	4.6
243.21077	17.5
244.21423	0.9
249.47943	1.2
261.22116	80.4
262.22458	4.9
263.23505	1.3
279.23157	7.8
335.25745	9.1
353.26810	21.2
354.27094	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.53673	3.3
55.05498	19.3
57.03423	11.5
57.07042	4.2
61.02914	10.1
67.04931	4.2
67.05496	94.7
69.07075	23.7
70.12205	3.5
70.42917	10.9
70.43340	6.3
71.04963	7.3
79.05479	46.0
81.07041	100.0
83.04996	3.8
83.08588	13.5
85.02886	8.6
85.06539	5.4
91.03948	7.6
91.05447	27.6
93.07026	53.7
94.07375	4.4
94.50987	3.3
95.04958	7.0
95.08595	73.2
97.02903	4.0
97.06521	5.7
97.10153	4.4
100.11247	7.7
105.07020	22.9
107.08574	38.9
109.06496	6.8
109.10143	37.8
110.39218	3.4
117.06998	12.9
119.08566	20.8
121.10128	32.0
122.73422	4.3
122.90179	3.7
123.08035	4.2
123.11694	23.8
125.09595	4.5
131.08549	15.9
133.10144	18.7
135.08031	4.5
135.11681	36.2
137.13234	8.3
145.10089	18.2
147.11681	10.4
149.13268	14.2
151.11137	5.0
157.10103	5.4
159.11710	16.8
161.13255	9.0
163.14827	8.2
164.98419	4.2
173.13284	15.7
177.12766	4.4
187.14804	6.7
191.14320	5.5
197.13287	4.9
215.14388	3.9
229.08243	4.3
243.21054	17.9
257.73840	4.0
261.22107	70.1
262.22433	5.8
279.23022	5.8
307.13593	5.5
335.26202	7.6
338.04315	4.5
353.27094	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03929	5.0
55.01860	8.6
55.05506	57.5
57.03428	20.2
57.07070	8.6
67.05499	98.7
69.03431	2.5
69.07059	56.6
70.06377	2.1
71.04993	6.4
71.08621	44.9
71.10716	2.3
71.11063	4.8
79.05487	56.0
81.07047	100.0
83.04976	8.7
83.08611	25.2
85.06535	8.1
85.10200	3.2
91.05460	18.8
93.07038	49.0
95.04969	7.8
95.08594	71.6
97.06535	11.8
97.10151	27.1
99.08083	36.9
99.41134	2.1
105.07028	19.3
107.08584	41.1
109.06502	4.4
109.10148	40.3
111.08066	7.7
113.09621	3.7
117.07016	7.5
119.08543	16.0
121.10129	26.9
123.08067	4.0
123.11707	13.4
125.09615	19.0
127.11203	2.2
131.08543	12.7
133.10135	9.5
135.08089	3.8
135.11681	32.5
137.09651	2.7
137.13249	10.1
145.10110	11.9
147.11661	19.2
149.13252	15.3
151.14864	4.9
153.12758	9.4
155.10596	2.3
159.11739	7.1
161.13310	7.7
163.11143	3.7
163.14812	10.3
165.12781	7.9
171.10184	2.6
173.11772	5.0
173.13271	7.7
175.14883	4.5
177.16466	3.4
181.12213	2.0
181.15878	2.7
187.14836	7.2
189.11172	13.7
191.14310	2.4
243.21120	13.9
261.22119	40.2
262.22504	2.5
269.11737	1.9
279.23181	25.0
335.25983	2.8
353.06808	2.0
353.26926	72.0
354.27512	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	14.8
57.07056	11.7
67.05485	29.5
69.07056	63.9
69.58426	31.9
69.58850	37.3
74.38040	7.8
79.05460	13.3
81.07059	42.4
83.08595	18.6
91.05479	41.4
93.07036	52.1
95.04957	26.1
95.08601	81.3
97.06527	8.2
100.71353	8.2
105.07036	51.6
107.08580	60.1
109.10151	37.4
111.08075	38.5
111.99201	7.7
117.07004	21.3
119.08578	100.0
121.10125	63.7
123.11692	17.5
129.06953	10.9
131.08566	40.0
133.10107	50.3
135.08038	23.7
135.11665	12.0
137.05974	91.7
137.13217	8.7
142.07732	12.0
143.08568	22.8
145.10065	40.9
147.08046	22.7
147.11655	15.9
149.09592	16.8
149.13177	9.8
157.10107	26.7
157.34962	7.8
159.08070	16.6
159.11610	36.5
161.09587	15.4
161.13315	15.2
163.11060	8.1
168.09415	9.1
169.10117	9.4
171.11740	22.5
173.13268	17.0
175.14873	25.5
175.99745	8.4
177.09087	14.7
177.16393	49.7
181.10217	11.2
183.11684	29.1
185.13274	19.9
187.14735	10.7
189.16437	53.2
197.13158	19.2
199.14740	12.5
211.11165	19.2
211.14900	12.6
215.17915	10.8
225.16508	9.7
239.17989	8.5
254.20230	14.6
267.21021	13.5
309.49240	7.6
335.23581	12.3
353.24673	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98217	1.8
53.03942	3.0
55.01862	3.6
55.05487	8.6
55.49986	2.0
57.07046	4.0
59.84140	1.8
62.75478	1.8
67.05498	13.6
69.03413	3.6
69.07054	9.0
71.04983	29.4
71.08736	3.9
79.05487	17.0
81.03395	2.3
81.07051	27.0
83.04964	3.2
83.08617	3.6
85.06535	6.3
91.05453	22.3
91.05957	2.3
93.07032	31.5
94.07361	2.4
95.04956	47.3
95.08601	22.5
97.06507	7.7
97.10156	2.5
99.08096	2.4
105.07011	36.6
107.08581	36.0
107.13473	2.0
109.06521	17.4
109.10155	14.8
111.04431	3.2
111.08041	3.4
115.05398	3.5
116.06223	1.8
117.06988	8.3
119.08574	44.4
121.06464	6.3
121.10133	25.2
123.08077	7.9
123.11699	15.5
125.05979	2.5
125.09639	2.5
128.06226	12.0
129.06979	8.9
131.08565	25.5
133.06432	2.3
133.10126	36.9
134.51326	2.1
135.04376	6.8
135.08055	23.7
135.11670	27.3
137.09599	7.1
141.06972	7.1
142.07739	9.0
143.08577	22.9
145.06528	2.7
145.10117	26.2
147.08058	11.2
147.11699	12.5
149.05922	4.0
149.09586	13.3
149.13234	2.7
151.07526	4.5
151.11200	3.6
153.07013	2.7
154.07793	2.6
155.08557	11.0
156.09338	7.6
157.10146	27.3
159.08055	9.1
159.11662	15.9
161.09599	36.1
161.13248	8.7
163.11151	6.4
165.06943	2.3
167.08582	2.7
168.09288	3.6
169.10129	12.1
171.11713	15.1
172.12358	2.9
173.09596	10.5
173.13245	16.0
175.11171	7.5
175.14804	4.2
179.08574	4.7
180.09267	4.4
181.10092	7.7
182.10873	4.6
183.11662	12.9
185.13152	10.2
187.11188	8.5
187.14790	11.4
189.12714	6.0
189.16370	5.3
193.10141	5.3
194.10796	2.4
195.11693	15.7
196.12274	2.4
197.09563	2.8
197.13255	14.6
199.11183	4.6
199.14856	6.5
201.09073	5.9
201.12741	8.4
203.14316	5.8
205.15918	4.6
206.10811	2.5
207.11644	5.2
209.13239	12.0
209.25548	2.1
210.13934	2.6
211.11185	2.6
211.14752	8.7
213.12695	16.5
213.16270	3.3
215.14311	13.6
217.15897	3.9
219.08083	2.5
221.13223	8.4
223.14801	8.9
225.12889	3.8
225.16330	5.6
227.14256	6.4
231.09979	2.9
231.13838	3.9
235.14813	6.4
237.16417	8.8
241.15808	3.2
251.14261	3.9
251.17967	5.8
252.07663	3.3
252.18678	2.7
253.15871	2.8
253.19571	3.8
255.17178	3.6
265.15903	2.2
265.19510	9.0
271.20584	3.6
277.19415	7.3
279.17328	2.5
283.20560	5.4
293.22693	7.3
295.20575	20.7
304.10809	2.4
311.23572	5.9
317.22632	5.4
323.12973	2.5
325.14307	7.4
335.12726	3.1
335.23682	28.8
353.13858	2.9
353.24768	100.0
354.25089	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91923	1.4
53.03930	1.8
55.01857	2.9
55.05504	13.0
56.05027	18.1
57.03416	3.9
57.07056	2.6
58.06591	26.8
60.04516	14.2
61.20890	1.5
67.05495	39.8
68.05824	3.9
69.07060	18.1
71.04993	3.5
71.08616	5.7
71.64175	2.9
72.08955	2.2
79.05481	24.0
80.04998	2.8
80.05827	3.5
81.03406	3.7
81.07045	24.0
82.07375	4.8
83.04957	3.1
83.08604	4.7
84.08130	1.7
85.06514	3.6
91.05472	28.7
92.05812	1.9
93.07034	27.2
94.06552	5.7
94.07365	1.7
95.04953	8.4
95.08600	22.0
96.08868	1.7
97.06535	3.4
97.10136	2.1
98.09663	1.6
99.08073	4.5
100.07598	11.3
100.36033	1.6
105.07011	21.0
106.07322	1.6
107.04912	2.5
107.08585	12.7
108.08088	5.4
108.08858	3.5
109.06474	2.9
109.10141	28.9
110.05988	1.6
110.10443	1.4
111.08093	2.0
111.11690	2.0
117.06992	5.8
119.08581	19.4
120.08865	1.8
121.06446	1.5
121.10122	14.4
122.10448	1.7
123.08030	4.5
123.11700	3.0
125.09612	2.1
126.12727	1.6
129.06981	2.2
131.08525	11.8
133.10106	18.5
134.10616	1.5
135.08043	2.7
135.11662	6.4
136.11162	4.5
137.09601	15.5
143.08571	1.8
145.10120	7.1
146.10727	1.5
147.11674	6.3
149.09547	2.1
149.13208	2.8
150.13556	1.7
151.11180	3.4
154.12241	100.0
155.12556	2.6
155.72974	2.0
157.10114	3.6
159.11685	5.4
160.12067	2.1
160.18915	1.6
161.13228	4.6
162.13519	2.0
163.11143	3.5
163.14870	2.1
165.09145	2.0
171.11644	3.1
172.13301	56.2
172.14758	3.3
173.11731	4.8
173.13264	4.4
179.14227	2.3
180.14589	5.2
183.11586	1.7
196.11493	2.0
196.13301	35.6
197.13239	2.7
201.71622	1.4
214.14365	7.6
229.19478	1.5
235.16801	2.2
236.16550	2.2
239.17900	5.0
244.90355	1.6
254.17316	1.8
257.18970	5.6
260.20850	4.1
261.22128	2.1
274.21466	2.5
275.20023	20.7
278.21936	4.7
292.22714	11.4
293.20987	3.3
306.24039	3.1
334.23608	5.0
352.24915	47.2
353.24670	1.9
367.54709	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99639	3.4
53.03941	6.2
55.01859	10.1
55.05490	5.3
57.03431	4.5
58.06262	3.3
61.02908	4.9
67.05486	9.5
69.03421	41.8
69.07057	63.5
70.06566	7.8
71.04984	10.1
71.08814	5.2
71.09160	7.9
72.08123	10.8
73.02910	4.6
73.35037	3.0
78.92371	3.5
79.05474	12.5
81.03394	27.4
81.07039	15.1
83.04933	3.8
83.08585	5.5
84.08111	7.5
85.02892	100.0
86.09696	16.7
87.00815	40.0
91.05461	12.1
93.07026	13.1
95.04957	5.2
95.08596	5.8
97.02873	70.7
97.06500	8.7
99.04418	13.3
105.01848	79.5
105.06997	8.0
106.84370	4.0
107.04939	8.1
107.08546	8.9
108.04481	5.6
109.02856	23.9
111.04434	6.3
111.08051	10.1
117.07012	4.0
119.08478	4.3
120.08085	6.4
127.03884	87.1
129.01857	4.7
131.08536	4.8
135.08084	5.4
139.07593	3.9
141.30798	3.6
145.04929	50.6
147.04440	4.6
147.08029	6.5
153.09113	6.5
159.02890	15.7
163.03778	5.2
163.07716	4.1
165.09117	6.4
166.63622	3.8
177.09091	8.2
189.04047	4.0
190.04962	4.3
195.10143	13.3
195.13669	5.6
210.18604	3.7
231.04948	23.0
249.06041	4.8
297.07449	8.8
325.06973	19.2
334.16776	7.5
352.18051	5.7
353.06442	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	21.1
55.75454	6.9
57.07051	12.8
67.05482	29.0
69.07062	47.1
70.69507	21.6
70.69862	7.0
71.04971	11.9
79.05476	30.4
81.07047	53.4
83.08593	8.4
84.79475	8.4
85.02649	6.9
91.05451	43.7
93.07022	71.7
95.04938	28.9
95.08588	73.1
97.06501	15.2
105.07011	88.8
107.08591	47.3
109.10165	39.7
110.32293	6.3
116.46164	6.9
117.06986	12.9
119.08567	100.0
121.06470	9.4
121.10145	43.4
123.11729	8.0
128.06216	12.9
129.06900	8.3
131.08545	29.5
133.10085	43.8
135.07997	13.9
135.11661	10.9
142.07788	18.9
143.08537	23.8
145.10057	41.3
146.07127	11.6
147.11664	22.6
149.09660	7.7
155.08501	8.6
156.09297	15.4
157.10042	36.7
159.11687	29.2
161.09610	39.9
161.13217	13.8
169.10199	9.7
170.10632	7.1
171.11621	17.6
173.09509	9.5
173.13272	14.1
175.14696	10.6
176.42264	6.8
177.16394	15.1
183.11594	7.5
185.13254	9.4
187.14813	9.0
189.16423	8.1
197.13263	11.6
198.96588	6.8
199.14815	10.8
201.16437	9.8
209.13261	21.1
241.19434	10.8
265.57950	7.3
268.62350	6.9
290.63583	7.0
351.26730	27.2
356.03790	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01865	2.1
55.05502	19.2
57.03430	16.4
57.07070	3.8
62.53006	0.8
65.03915	1.5
67.05495	54.1
69.03434	1.7
69.07059	16.4
70.07944	6.0
71.04982	3.5
71.08621	53.8
79.05483	43.6
81.03397	7.0
81.07044	52.7
81.07534	1.8
82.07365	1.3
83.04967	11.6
83.08596	9.2
85.06534	3.6
91.05470	32.2
91.06037	2.0
93.07031	57.6
95.04961	14.2
95.08596	39.3
97.06518	10.5
97.10175	4.1
99.08078	34.2
99.08697	2.1
103.72672	1.1
105.07007	20.6
107.04930	8.5
107.08576	30.1
109.06501	4.7
109.10140	14.7
111.08082	2.9
113.09630	2.7
117.06995	6.0
119.08571	18.6
121.06487	2.2
121.10130	25.9
123.08047	3.7
123.11697	2.8
124.97115	1.1
125.09602	1.1
127.11190	1.4
128.06250	0.9
129.06995	3.0
130.07677	1.1
131.08566	4.8
133.10109	15.0
135.11678	32.8
137.09563	5.3
139.11163	2.1
141.09134	3.4
143.08540	3.3
145.10112	6.7
147.11667	8.8
149.13228	11.3
151.11162	21.8
153.12735	2.3
157.10078	2.6
159.11694	4.3
161.13248	12.3
163.11101	5.5
163.14789	2.4
165.12746	2.2
167.10648	3.1
171.11699	2.1
173.13257	1.5
175.14833	1.5
177.12721	4.3
179.14285	100.0
180.14632	1.6
181.12369	1.3
185.13344	1.6
185.75992	1.1
189.12776	2.6
195.13795	2.3
199.14827	1.9
221.15369	3.5
235.16939	4.7
241.19556	1.5
259.20511	5.2
277.21576	34.7
290.07330	1.1
351.25348	26.6
352.25107	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83716	1.7
53.03950	2.4
55.01867	3.7
55.05504	19.5
55.87560	1.9
56.96567	6.7
57.03428	7.2
57.07081	3.2
59.05003	1.9
59.30562	1.7
65.03938	2.4
67.05494	50.9
69.07055	19.4
71.04980	3.5
71.08630	3.7
71.75310	3.3
75.04430	2.0
79.05484	60.9
81.03418	2.6
81.07047	57.1
83.04973	4.5
83.08618	7.6
85.06551	3.8
91.05465	60.5
91.06021	3.3
93.07034	80.4
95.04971	10.9
95.08595	35.4
97.06537	5.8
97.10152	4.1
99.08076	5.0
105.07006	60.6
107.08575	45.5
109.06525	7.4
109.10157	16.1
113.09663	2.3
115.05393	2.7
117.06998	12.6
117.34383	1.9
119.08561	59.8
121.06477	2.6
121.10130	35.4
121.10954	2.4
123.11699	4.3
129.06978	10.8
131.08554	24.4
132.42639	2.2
133.10112	47.4
134.10622	2.0
135.08076	3.4
135.11679	37.9
137.09633	3.8
137.13318	2.7
143.08577	12.5
145.10106	24.9
147.11673	56.1
149.09653	4.1
149.13220	19.9
151.11133	3.3
157.10103	10.7
159.11699	21.7
161.13245	37.6
163.11285	5.5
163.14867	7.4
165.12804	4.6
169.10196	2.6
171.11679	20.0
173.13225	12.9
175.11192	2.6
175.14812	16.2
177.12764	3.0
185.13213	15.3
187.14925	2.1
189.12894	2.7
199.14810	10.4
213.16409	4.0
215.18013	2.2
217.94321	2.0
223.14667	1.9
231.21072	8.8
241.19489	32.8
259.20551	100.0
260.21027	4.0
277.21732	6.8
277.74130	1.9
287.11682	2.3
289.21918	3.5
294.24484	1.9
351.18753	4.4
351.25403	70.2
352.25595	3.5
369.19632	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01870	2.7
55.05507	15.4
56.96562	1.6
57.03435	7.5
57.07068	4.6
65.03925	3.9
67.05499	55.3
69.03423	1.5
69.07057	15.4
71.04977	2.2
71.08630	10.1
71.74339	1.1
71.74809	1.8
75.04464	3.5
78.91225	1.1
78.95413	1.1
79.05485	64.0
81.03410	2.8
81.07047	60.1
83.04951	2.5
83.08621	8.3
85.06525	5.2
90.05320	1.3
91.05468	67.1
92.05802	1.3
93.07034	80.5
94.07346	1.2
95.04955	8.9
95.08600	40.2
97.06507	6.0
97.10176	2.1
99.08058	10.1
105.07019	67.4
107.04919	1.8
107.08585	47.7
109.06500	3.4
109.10154	12.6
111.08063	4.3
113.09629	1.7
115.05396	1.6
117.07003	16.0
119.08570	63.4
121.06537	1.7
121.10130	32.8
123.08118	2.8
123.11715	4.9
125.09631	2.5
128.06189	2.4
129.06999	9.6
131.08554	23.9
133.10120	51.4
135.08044	2.6
135.11684	38.5
137.09601	3.3
142.07797	1.8
143.08556	11.0
145.10115	26.1
147.11664	47.2
148.11992	1.5
149.09619	4.7
149.13246	23.7
151.11159	6.4
157.10104	9.3
159.11671	24.1
161.09579	2.2
161.13243	43.3
162.13620	1.8
163.11180	5.5
163.14825	8.1
165.12750	1.9
171.11674	16.7
173.13243	12.5
175.11234	2.0
175.14827	19.9
177.12793	4.5
179.14307	5.6
185.13217	12.9
187.14864	4.2
189.12802	3.4
191.14288	1.4
199.14810	7.8
201.16434	2.2
203.14297	2.4
213.16388	3.8
215.17973	2.5
217.15869	1.8
217.19528	2.9
231.17494	3.5
231.20993	12.0
241.19484	32.8
242.19844	2.3
259.20557	100.0
260.20877	3.7
277.21613	11.2
290.34952	1.3
293.33118	1.2
333.17551	2.4
333.24429	2.1
351.18369	2.7
351.25336	62.1
352.25766	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.0
55.01855	1.6
55.05509	15.8
57.03428	9.4
57.07064	4.0
60.97266	1.2
65.03928	1.9
67.05499	48.5
69.07062	15.5
70.99244	1.6
70.99573	3.3
71.04984	3.8
71.08615	2.7
75.04425	2.8
79.05485	64.3
79.50056	1.5
81.07046	58.6
83.04978	1.9
83.08614	9.5
85.06521	5.8
87.41787	1.3
90.88522	1.5
91.05471	55.7
92.05810	1.4
93.07036	87.3
95.04959	6.4
95.08598	40.4
97.06509	4.1
97.10137	3.4
99.08082	5.1
105.07023	53.7
107.08582	55.9
109.06487	4.9
109.10146	17.7
111.08088	3.0
113.09624	2.3
117.07008	12.9
119.07723	2.5
119.08571	51.7
121.10136	41.2
123.08038	2.8
123.11697	3.4
129.07010	7.5
131.08559	23.3
133.10120	48.9
135.08089	2.1
135.11678	43.4
137.05978	2.8
137.09578	1.7
142.07803	1.8
143.08545	10.3
145.10110	19.9
147.11671	48.3
147.12857	2.6
149.09601	4.0
149.13237	30.4
149.14423	1.8
151.11131	2.8
157.10153	10.0
159.11687	20.3
161.13251	38.9
163.11151	3.2
163.14786	13.5
163.60333	1.5
165.12788	1.6
171.11697	14.0
173.13261	12.2
175.11079	2.9
175.14807	19.0
177.12689	4.0
179.14183	1.4
185.13223	15.1
187.14841	3.0
189.12759	3.7
199.14763	9.3
201.16345	2.1
203.14279	2.9
213.16394	4.7
217.19525	5.7
221.15234	2.0
231.17468	2.9
231.21103	9.0
235.16972	1.6
241.19505	38.6
242.19815	2.2
259.20547	100.0
260.20697	2.8
277.18546	2.7
277.21600	19.8
333.24133	9.8
351.25287	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03455	1.8
53.03938	5.3
55.01855	5.3
55.05506	20.5
56.96554	2.4
57.03432	11.4
57.07070	3.1
65.03938	3.0
67.05500	53.2
69.03413	1.8
69.07059	21.0
69.47638	15.9
71.04981	5.9
71.08617	6.8
75.04469	2.6
79.05486	75.1
81.03423	2.9
81.07048	72.8
83.04961	4.4
83.08609	10.1
85.06538	5.3
91.05466	54.3
93.07036	100.0
95.04960	12.2
95.08595	43.0
95.13254	1.4
95.27062	1.4
97.06533	5.2
97.10149	4.7
98.21399	3.0
99.08076	7.8
105.07020	65.3
107.08579	60.8
107.09307	2.4
109.06490	6.9
109.10141	18.5
111.04429	2.2
111.08109	2.2
117.07011	12.8
119.08568	58.6
121.10140	50.4
123.08090	3.0
123.11695	4.7
125.05939	2.3
128.06255	3.6
129.06981	9.4
131.08563	23.0
133.10110	48.8
134.10434	2.3
135.08078	4.5
135.11679	47.5
137.05965	12.9
137.09624	2.4
143.08546	11.0
145.10117	25.0
147.08052	3.3
147.11674	46.2
148.12012	2.4
149.09593	3.3
149.13239	29.3
151.11166	6.1
155.08531	1.6
157.10097	10.8
159.11696	17.5
161.09633	3.3
161.13243	36.8
163.11224	5.6
163.14839	8.6
165.12683	2.7
165.84882	1.5
171.11682	15.4
173.13232	9.3
175.11166	2.7
175.14799	19.1
177.12706	2.4
179.14337	3.0
179.41277	1.5
185.13239	15.6
187.14821	3.9
189.12711	3.0
189.16606	1.7
191.14410	1.9
199.14865	6.8
203.14384	1.8
203.17970	1.7
213.16440	7.0
215.17937	2.1
217.19592	3.5
231.17418	3.9
231.21095	6.5
241.19499	32.6
249.18541	1.8
259.20569	97.6
260.20901	2.2
277.18079	6.6
277.21655	18.2
310.67224	1.8
333.24191	10.0
351.21533	4.1
351.25305	64.6
352.25626	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.2
55.01843	2.6
55.05502	21.5
57.03432	10.1
57.07050	5.8
57.46314	1.6
65.03941	3.4
67.05499	55.1
69.07063	23.0
70.70320	3.8
70.70712	3.7
71.04971	5.2
71.08622	4.5
79.05486	75.8
81.03391	2.3
81.07048	68.5
83.04958	5.0
83.08600	8.0
85.06507	5.6
91.04913	4.0
91.05470	59.1
93.07033	99.8
95.04963	12.0
95.08591	46.7
97.06520	6.0
97.10127	4.6
99.08060	6.4
99.98085	1.6
105.07015	65.3
107.08580	62.7
108.08949	2.1
109.06486	7.3
109.10127	16.8
111.08074	3.3
113.09580	2.4
117.07002	16.7
119.08573	64.7
120.08814	2.4
121.10134	58.4
123.08025	4.4
123.11705	3.9
125.09593	2.9
128.06197	2.3
129.07016	11.0
130.07779	2.3
130.71744	2.0
131.08548	25.2
131.86469	2.2
133.10120	60.8
135.08011	2.5
135.11668	56.6
137.09593	4.6
142.07811	2.2
143.08536	12.4
145.10117	25.3
147.11668	53.9
148.12012	2.3
149.09569	4.1
149.13242	31.1
151.11150	2.8
156.09360	2.4
157.10089	16.9
159.08043	4.3
159.11678	24.3
161.09592	3.2
161.13239	44.8
163.11177	6.0
163.14825	11.1
165.12787	2.1
168.09224	1.9
169.10039	2.0
171.11696	17.0
172.12209	3.6
173.13225	12.9
175.11240	2.4
175.14807	19.0
177.12744	5.5
179.08611	2.5
181.10175	2.4
185.13217	15.2
187.11047	2.5
187.14793	5.1
189.12733	5.5
193.10194	4.4
195.11681	3.6
196.12376	2.1
199.14777	9.2
203.14317	3.2
207.11723	4.0
209.13235	3.2
213.16362	8.0
215.17967	2.2
217.15813	3.1
217.19606	2.9
221.13193	2.7
221.15332	3.3
231.17456	3.6
231.21086	7.6
235.14668	2.1
241.19482	39.5
247.14790	2.8
247.22432	2.0
249.16202	3.2
259.20554	100.0
260.20889	6.0
275.18030	2.1
277.21591	17.3
289.21545	2.5
293.18912	3.3
333.24664	8.3
351.25552	71.0
352.25739	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.5
55.01857	2.6
55.05504	26.7
57.03434	13.3
57.07058	6.5
65.03928	3.0
67.05495	61.1
68.05824	1.9
69.03420	1.5
69.07063	18.5
70.86914	1.3
70.94965	4.4
71.04967	5.2
71.08298	1.4
71.08627	13.2
75.04459	1.6
79.05019	3.7
79.05481	76.0
79.78143	1.7
81.03400	4.7
81.07047	73.7
81.07532	3.5
83.04971	6.1
83.08603	11.2
85.06532	5.4
91.05467	56.7
93.07029	100.0
95.04963	9.7
95.08587	48.3
97.06522	6.1
97.10158	6.0
99.08088	12.8
103.05470	1.6
105.07013	58.1
107.04993	1.7
107.08578	61.1
108.08921	1.5
109.06499	4.5
109.10144	20.3
111.08077	3.8
113.09658	2.1
114.57119	1.4
115.05445	1.6
117.06993	12.3
119.08562	58.1
119.09403	3.1
120.08948	1.7
121.10134	43.7
123.08061	4.1
123.11699	5.5
125.09598	2.5
128.06210	1.6
129.05476	1.7
129.06995	6.5
131.08548	23.6
133.10112	53.2
135.08055	3.8
135.11671	54.2
137.09561	4.2
137.13219	2.6
139.11151	1.7
143.08557	10.7
145.10095	22.0
147.11668	46.0
148.12131	2.2
149.09633	3.3
149.13237	27.1
151.11150	4.4
157.10162	9.5
159.11671	21.4
161.09692	1.6
161.13239	41.9
162.13654	2.1
163.11168	4.8
163.14780	10.5
165.12685	2.0
167.10626	1.8
171.11676	18.9
173.13234	12.0
175.11211	3.7
175.14783	16.8
175.24356	1.5
177.12804	5.6
177.16319	1.9
179.14285	21.2
181.12271	1.9
185.13182	15.0
187.14830	4.3
189.12766	4.2
191.14348	2.2
197.11560	1.5
199.14812	7.1
203.14290	3.5
207.13840	2.2
213.16411	5.0
215.17978	1.7
217.19534	5.8
221.15399	2.6
231.17549	4.2
231.21049	7.4
241.19478	38.0
243.21082	1.6
259.20551	93.4
260.20819	4.2
265.50299	1.6
277.21603	26.2
277.24521	1.8
278.21857	1.6
333.24271	9.1
351.15994	2.1
351.25299	72.3
352.25571	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.5
55.01853	4.9
55.05495	20.5
57.03419	12.2
57.07041	3.4
59.04970	3.5
60.30340	2.8
67.05496	57.6
69.07050	20.0
70.19050	10.6
71.04984	3.5
71.08614	8.0
79.05020	3.2
79.05483	65.8
79.69162	3.0
81.03399	3.2
81.07047	61.2
83.04969	6.4
83.08604	12.1
85.06522	5.8
91.05470	58.7
93.07030	100.0
95.04953	12.7
95.08598	52.0
97.06500	9.0
97.10106	3.0
99.08055	7.4
105.07015	59.2
107.04948	4.5
107.08583	55.8
108.08919	3.7
109.06493	3.4
109.10149	19.7
111.08052	3.4
117.07010	14.4
119.08567	58.5
121.06483	4.4
121.10131	45.2
123.08031	4.0
123.11686	5.8
129.06979	12.3
130.51450	2.6
131.08549	20.8
133.10110	48.2
135.08066	6.6
135.11665	49.3
137.05925	3.7
137.09552	6.0
143.08548	9.7
145.10110	22.3
147.11681	43.4
149.09621	4.1
149.13239	26.2
157.10146	10.2
159.11681	19.3
161.09569	3.0
161.13246	34.7
163.11186	4.7
163.14790	9.5
171.11682	11.3
173.13229	12.0
175.14792	15.6
177.12746	4.9
179.14322	4.9
185.13246	13.9
189.12709	6.1
199.14815	5.6
213.16467	4.4
217.19485	5.3
231.21129	7.8
241.19463	30.4
242.19865	4.2
256.27814	3.1
259.20547	86.5
277.21506	20.6
291.10989	2.9
310.88657	3.3
314.37079	3.2
317.43610	3.1
333.23932	9.3
351.25415	69.0
352.25128	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	14.2
55.01858	7.7
55.05505	39.6
57.03417	17.3
67.05498	82.6
69.03418	6.0
69.07057	30.4
69.12374	5.5
71.04974	18.3
71.08627	32.9
79.05486	71.3
81.03390	19.7
81.07043	89.9
83.04964	11.8
83.08600	13.8
85.06512	9.2
86.91360	6.2
87.51987	5.4
91.05466	69.5
93.07030	92.2
95.04958	49.6
95.08595	54.9
97.06526	16.3
97.10153	10.4
99.08092	30.0
105.07007	68.3
107.08592	63.8
109.06493	20.3
109.10144	35.7
111.08009	5.9
111.42451	5.1
117.07004	21.1
119.08578	66.9
121.06464	7.2
121.10121	52.6
123.08056	15.6
123.11682	10.7
128.06190	12.6
129.06950	13.6
131.08557	33.6
133.10109	61.7
135.08015	8.1
135.11688	36.2
137.09586	23.1
142.07787	5.8
143.08543	27.6
145.10103	39.3
147.07957	7.8
147.11671	35.8
149.09610	10.6
149.13242	10.8
151.11147	23.6
155.08525	12.0
156.09309	8.1
157.10104	30.8
158.10527	6.1
159.07999	8.9
159.11658	36.3
161.09592	12.0
161.13200	40.7
163.11224	10.7
165.07047	7.9
167.08455	10.3
169.10097	17.7
171.11624	29.3
173.09589	11.8
173.13249	23.2
175.11122	7.6
175.14848	12.6
179.08528	15.0
179.14297	8.1
180.09258	7.0
181.10156	11.8
183.11661	12.1
185.13185	15.3
187.11153	10.3
187.14803	9.4
189.12714	13.0
193.10110	18.7
194.10912	9.1
195.11720	24.2
196.12416	6.6
197.13298	16.5
199.11290	7.1
199.14861	11.1
206.10873	8.2
207.11703	18.9
208.12520	7.1
209.13220	15.8
210.10515	6.2
211.11163	8.2
211.14830	8.5
213.12698	10.3
215.14236	7.2
219.11511	9.6
220.12451	8.9
221.13246	14.6
223.14725	12.0
225.12653	7.0
225.16475	6.1
233.13327	13.9
235.14844	13.8
239.14352	9.5
241.19472	24.0
246.13983	7.7
247.14789	7.8
249.16388	10.6
251.14203	7.9
251.17911	9.2
253.15849	10.3
259.20523	56.7
260.15515	7.7
263.14362	6.2
263.17929	7.7
265.15854	12.0
267.17429	8.4
275.17920	14.8
277.15765	10.8
277.21680	40.6
281.18991	7.1
291.21082	7.3
293.18982	29.3
309.22083	10.4
333.22018	23.5
351.22601	100.0
352.23318	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2315
Annotation	2-Geranyl-3,5-dihydroxybibenzyl
Peak:m/z	Relative Intensity
53.03916	4.4
54.95133	3.5
55.05499	10.8
57.07058	5.6
58.75969	2.8
59.05000	3.5
67.05498	14.2
69.07063	17.6
70.20014	14.6
71.55362	3.5
79.05497	19.9
81.07044	25.6
83.04968	5.2
83.08615	7.3
91.05473	24.4
93.07046	27.1
95.04938	8.1
95.08591	31.2
97.06506	5.3
98.21350	4.8
99.04388	4.5
105.07017	43.0
107.04954	4.9
107.08590	33.8
109.06502	4.7
109.10165	21.9
111.08077	10.5
117.07013	9.9
117.73750	3.3
119.08572	49.6
121.10126	51.2
123.08080	4.8
123.11674	8.6
128.06189	4.1
129.07014	10.1
131.08559	22.7
133.10135	31.0
135.11671	17.0
137.05942	21.4
137.09596	3.3
141.07021	5.3
142.07794	6.9
143.08568	20.7
144.09276	4.6
145.10124	36.6
147.08049	5.5
147.11694	11.4
155.08540	10.6
156.09286	8.1
157.10123	24.5
158.10863	3.3
159.07994	6.0
159.11662	28.7
161.13301	7.0
163.11200	6.9
167.08591	7.5
168.09288	4.4
169.10132	16.4
170.10844	5.1
171.11662	21.5
173.09578	5.6
173.13239	16.5
175.14772	6.4
179.08621	5.4
180.09193	3.7
181.10095	9.4
182.10851	6.8
183.11618	22.6
183.53387	3.5
185.09692	3.5
185.13264	10.3
187.11217	4.4
187.14774	20.6
192.09303	4.0
193.10121	7.5
195.11682	13.5
196.12428	6.7
197.13248	11.3
199.14781	11.5
207.11751	6.5
209.13264	17.2
211.11163	12.8
211.14806	6.3
213.16399	6.2
221.13228	7.6
223.14836	9.3
225.16342	6.1
229.12262	9.0
233.13310	4.1
237.12645	4.3
237.16420	4.7
239.17992	5.5
251.17813	4.8
253.19527	4.7
263.18137	5.1
265.19476	8.1
289.69873	3.4
295.16864	6.8
297.36569	3.4
297.58478	3.6
304.05344	4.4
308.21487	3.7
323.23682	7.4
333.22186	18.0
345.77960	3.7
351.23050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2313
Annotation	2-Geranyl-3,5-dihydroxybibenzyl
Peak:m/z	Relative Intensity
53.03928	3.7
55.01867	23.8
55.05498	13.7
57.03427	4.6
57.07046	5.0
65.03920	3.1
67.05501	33.1
69.07059	19.0
69.25372	2.4
69.87654	2.3
71.04963	4.8
71.08579	2.7
79.05486	25.6
81.07044	36.6
83.04957	6.3
83.08592	8.9
91.05466	36.2
93.07023	44.1
95.04922	9.8
95.08091	3.9
95.08601	41.8
97.06517	28.3
97.10125	3.1
99.08081	3.9
105.06447	3.2
105.07027	49.0
107.04935	4.3
107.08578	41.0
109.06505	5.6
109.10152	24.8
110.72274	3.2
111.08032	11.7
117.06979	10.4
119.08566	56.6
121.10128	63.0
123.04361	3.0
123.08041	7.0
123.11663	11.8
125.09560	3.0
128.06161	6.5
129.06920	12.4
130.07738	6.1
131.08537	23.8
133.06544	3.6
133.10117	32.0
135.08055	5.9
135.11684	16.5
137.05972	16.6
137.09567	4.9
141.06979	5.9
142.07770	12.7
143.08556	28.4
144.09291	7.4
145.10114	36.3
147.08124	5.7
147.11696	19.5
149.09610	4.4
149.13220	4.2
150.03513	2.9
151.07477	3.8
153.07025	3.0
155.08501	10.6
156.09273	7.4
157.10086	29.0
158.10756	4.1
159.07993	8.2
159.11668	28.5
161.13173	10.0
163.11110	7.7
165.06973	5.5
165.12712	5.5
166.07684	2.8
167.08495	7.8
168.09270	7.3
169.10126	19.8
170.10844	8.6
171.07826	3.1
171.11688	19.4
173.09607	3.6
173.13263	17.3
175.11131	2.6
175.14780	6.5
179.08530	6.7
181.10077	15.4
182.10835	8.0
183.11665	25.8
184.12315	3.9
185.13191	14.8
187.11090	8.2
187.14827	22.0
189.12730	5.1
193.10110	6.6
194.10828	4.5
195.11676	17.5
196.12355	4.9
197.09506	5.0
197.13184	18.0
199.11218	4.3
199.14742	5.6
200.15706	3.6
201.12692	4.1
207.11743	6.3
209.09470	3.9
209.13298	15.6
211.11142	12.6
211.14703	12.2
213.12737	3.6
213.16350	5.0
215.10696	3.0
219.11588	2.6
221.13216	6.5
223.11096	5.3
223.14670	9.5
225.12700	3.0
225.16309	7.8
229.12135	8.1
233.13274	3.9
235.14691	8.6
237.16267	9.8
239.14294	3.8
239.17882	6.0
249.16420	4.4
249.22092	3.0
251.14313	3.5
251.17752	5.2
253.15903	3.2
253.19247	4.1
257.15375	4.0
259.20471	5.0
263.17899	3.2
265.19614	12.5
275.17838	3.0
277.15948	3.3
277.21646	16.7
291.17288	3.2
293.18872	4.8
295.16846	4.9
303.02695	3.0
305.08328	2.8
305.22491	6.3
309.22131	3.9
323.23526	7.4
333.22330	13.0
351.23032	100.0
352.23419	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2137
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.03934	0.9
55.01861	3.2
55.05500	4.2
57.03428	1.9
57.07060	0.9
60.04493	0.7
67.05497	6.6
69.03423	1.1
69.07060	3.6
69.39214	0.5
71.08613	2.5
71.75163	0.6
77.00903	1.7
79.05483	6.3
81.03408	1.5
81.07044	8.9
81.07490	1.1
83.04991	1.3
83.08607	1.9
85.10187	0.9
88.39868	0.5
91.05472	5.4
93.07050	5.0
95.01902	0.6
95.04963	1.9
95.08580	5.4
97.02883	0.6
97.06499	2.0
97.10149	0.8
99.08083	2.3
105.07028	5.6
107.04967	0.9
107.08561	3.9
109.06519	1.5
109.10157	2.3
111.08036	3.3
113.09640	1.5
117.06960	1.3
119.08555	4.0
121.10166	2.7
123.00758	0.5
123.11718	0.7
125.09679	0.7
128.06238	0.5
129.06969	1.1
131.08559	0.7
133.08899	0.6
133.10115	4.0
135.08031	0.5
135.11679	1.9
137.05983	0.7
137.09616	0.8
141.96718	0.5
143.08575	1.1
145.10107	1.9
147.11696	2.1
149.09586	0.7
149.13268	1.3
151.11142	2.4
157.10139	1.0
161.09621	0.9
161.13213	1.6
162.12787	1.8
163.03894	0.6
163.11201	1.5
163.14760	0.7
165.12762	1.4
171.11684	0.7
173.13245	0.9
175.11171	0.9
175.14810	0.7
177.12790	1.8
179.14252	0.8
180.13826	2.1
197.10289	0.6
213.09692	0.5
215.11295	3.1
224.32277	0.6
233.12292	0.6
235.12938	0.7
241.19557	1.0
243.14415	1.1
253.12798	4.1
257.12500	0.8
259.20627	1.8
271.04147	0.9
271.13889	3.1
275.19943	1.2
277.21542	4.6
310.21588	0.6
311.05655	0.7
315.18069	0.8
333.19281	2.4
351.21378	100.0
351.24991	3.6
352.20993	3.6
352.25394	4.8
357.71246	0.5
369.21185	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1184
Annotation	bisanthene
Peak:m/z	Relative Intensity
50.22750	0.7
53.88738	0.8
55.01867	5.8
62.30934	0.7
70.06562	1.7
71.04320	1.3
72.08106	1.3
73.02870	0.9
77.97404	0.6
84.04463	1.4
84.08112	1.4
85.02884	1.5
86.09681	1.4
101.07107	0.6
108.04447	1.4
118.34753	0.6
119.04916	1.0
120.08106	0.9
129.10231	0.7
144.08086	1.2
146.33293	0.8
147.04379	1.3
158.57188	0.7
160.07564	0.8
168.06625	1.5
170.09688	0.8
171.05521	0.8
172.07538	0.8
184.06297	1.2
185.07048	1.8
185.10739	1.3
186.07802	0.9
187.05017	1.2
187.08559	1.2
189.06609	1.1
198.09186	1.2
199.08588	3.9
200.07088	0.9
201.06581	2.8
203.08163	1.2
204.06511	0.8
212.05736	1.2
213.06529	3.6
213.10228	5.9
214.07295	4.7
215.08170	5.4
217.06065	3.5
217.09636	3.3
219.07651	3.5
219.09435	0.6
223.08684	0.9
226.08900	0.9
227.08109	7.8
231.07625	2.7
232.08380	4.4
233.09134	2.5
237.06470	2.2
238.07457	1.0
241.06020	2.6
241.09694	13.6
242.06851	4.2
243.07608	3.5
244.09724	1.2
245.05492	1.6
245.09224	8.6
248.14024	0.9
251.08154	1.6
255.07631	9.9
256.05972	2.4
256.08401	0.9
259.07126	2.6
259.10825	4.1
260.07867	5.8
261.08618	3.4
266.14896	0.7
269.09195	13.9
271.10767	1.9
273.08688	10.6
278.34436	0.7
287.10199	14.6
289.11816	3.1
291.09705	2.9
297.08667	12.9
298.07126	2.4
305.11349	2.1
315.09720	47.1
316.10251	1.2
333.10764	100.0
334.10876	2.4
351.11829	91.4
352.12100	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
55.05486	1.2
56.05032	1.4
57.03435	1.3
60.05625	1.8
67.05480	1.5
67.34898	1.0
67.38401	1.1
69.03430	1.7
69.07064	1.4
70.06597	6.1
71.73861	1.5
72.08128	1.6
81.07012	1.0
84.04498	2.2
84.08128	4.2
86.03508	1.5
86.09689	5.0
94.06571	1.3
94.51811	1.0
99.99809	1.2
129.10226	6.5
138.05493	4.8
144.08083	8.8
150.05507	6.0
158.09665	6.6
162.05545	2.8
166.04956	4.7
168.06548	1.9
171.06752	2.3
172.07542	8.5
176.03456	4.2
176.07034	2.2
184.06009	1.8
186.09142	7.5
188.10518	1.2
191.05754	1.7
200.07057	16.4
201.07774	2.0
202.08765	1.4
203.08147	2.2
209.54411	1.2
214.08725	7.2
215.07990	2.2
216.10228	1.7
227.05864	1.4
227.08119	1.6
228.06581	14.4
228.08702	1.8
241.09662	1.9
242.08142	9.0
244.09668	4.5
245.09283	1.7
248.13922	15.8
249.12299	1.3
255.07629	1.2
256.06036	100.0
257.06326	4.0
266.14963	3.9
269.09406	2.5
270.07611	7.9
272.09161	2.7
274.06970	1.5
287.10092	2.4
297.08679	4.1
298.07077	87.0
299.07434	3.6
315.09714	7.2
316.08127	38.0
317.08331	1.7
333.10904	8.0
334.09177	34.5
335.09500	1.4
351.11847	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.05505	12.6
57.03438	4.9
59.05000	2.1
67.05488	6.8
69.03418	6.8
69.07044	7.8
70.06577	9.5
71.04644	2.3
71.04974	13.9
71.58411	4.1
72.08140	7.0
79.05487	7.4
81.03406	5.7
81.07045	23.3
83.04971	5.0
83.08612	14.9
84.08133	4.3
85.02901	17.1
86.09687	9.1
91.05460	7.9
93.07037	45.0
95.08608	31.2
97.02881	6.9
97.06514	21.4
101.09651	6.7
105.63411	2.8
107.08582	72.0
108.08923	4.1
109.10156	34.5
111.08088	2.9
119.08564	3.3
120.08067	3.7
122.02711	6.4
123.00784	8.4
123.11675	17.5
124.01112	4.1
131.08455	2.6
135.11681	100.0
145.04889	3.6
146.03151	2.9
153.12738	46.6
163.03915	12.2
164.04216	12.1
167.22778	3.0
169.01303	10.0
170.01588	7.0
171.13791	44.4
193.12148	3.3
211.13240	7.5
268.70383	3.0
309.06503	3.1
327.07593	3.0
347.31860	2.9
350.14337	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	5.6
57.06793	2.5
57.07068	41.4
60.55054	1.5
65.25923	1.7
67.05482	5.7
69.07066	7.4
71.08620	25.6
71.75438	2.2
73.06564	4.1
79.05488	5.5
80.46219	1.2
81.07054	8.7
83.08636	2.4
85.06467	1.6
85.10171	21.9
87.04471	1.5
89.06020	100.0
90.06271	1.5
91.05487	7.8
93.07024	8.8
95.04961	3.5
95.08599	6.4
97.06516	2.3
97.10160	3.6
98.15047	1.6
99.11742	4.1
105.07021	11.7
105.66394	1.4
107.07043	11.1
107.08578	7.4
109.06499	2.7
109.10156	4.5
117.07002	4.2
119.08561	11.7
121.06515	2.6
121.10141	9.2
123.00794	1.9
123.08078	2.3
123.11742	1.6
129.07007	3.4
130.08629	3.9
131.08565	6.7
133.08595	33.5
133.10085	7.5
135.08017	2.3
135.11633	2.9
142.07800	2.1
143.08531	4.0
145.10143	7.3
147.11659	1.8
149.09547	2.0
151.09618	4.9
155.17931	2.0
157.10114	5.0
159.11673	4.3
161.09680	3.0
163.03888	4.0
169.01332	2.9
171.11751	3.3
173.13338	3.9
175.14847	2.0
177.11261	7.4
179.14372	3.2
182.04413	1.5
183.11670	1.8
187.14894	1.9
195.12253	19.3
209.13321	2.6
224.59900	1.4
243.23395	1.9
275.20108	2.6
278.62604	1.4
349.24045	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	11.2
55.05502	21.3
67.05495	43.1
69.03407	3.8
69.07051	20.2
70.02033	2.9
70.35257	15.0
71.04990	4.9
79.05479	29.3
81.07047	54.1
83.08607	6.0
91.05465	59.2
93.01029	2.9
93.07029	74.1
95.04948	32.2
95.08599	56.3
97.06509	13.0
98.20728	3.6
103.05470	3.4
105.07013	100.0
107.08574	56.1
109.06505	11.3
109.10132	35.8
116.06236	3.2
117.07014	18.7
119.08566	91.2
121.06483	8.4
121.10126	83.6
123.08044	4.2
123.11678	25.5
128.06226	9.6
129.06978	24.0
130.07802	9.4
131.08545	51.3
133.10106	63.0
135.08055	12.1
135.11688	21.1
137.09537	4.9
141.06985	6.7
142.07774	16.8
143.08551	33.3
144.09317	9.6
145.10097	64.4
145.11212	5.1
146.07245	3.4
147.08051	7.6
147.11679	19.0
148.09003	3.4
149.09601	9.1
149.13234	4.8
153.06905	3.6
155.08534	16.1
156.09328	13.7
157.10126	50.1
158.10838	8.7
159.08116	4.3
159.11687	22.7
161.09598	22.4
161.13231	8.0
165.07033	8.1
167.08539	8.8
169.10121	25.7
170.10899	9.6
171.11699	21.7
173.09639	5.3
173.13231	15.7
175.11229	5.1
175.14841	12.0
179.08502	12.0
180.09317	7.2
181.10156	13.6
182.10811	6.5
183.11668	21.0
185.09673	4.5
185.13229	16.5
187.11143	3.6
187.14822	21.0
189.12634	3.2
193.10104	4.9
194.10950	8.2
195.11693	18.5
196.12418	7.4
197.09499	3.2
197.13283	15.5
198.13959	3.5
199.14784	9.8
200.15555	4.9
201.12733	5.3
207.11627	5.6
209.13223	23.8
210.13861	4.4
211.14813	11.8
212.79059	3.4
213.16310	5.1
220.12599	3.5
221.13206	7.6
223.14877	9.3
225.16408	5.9
227.14247	12.5
237.16437	7.7
240.18703	3.3
251.17903	5.7
253.19551	5.1
255.17352	4.0
265.19577	7.6
266.20306	5.4
293.18991	8.1
294.19504	3.2
331.23898	4.8
349.25229	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
53.15439	3.8
55.01859	4.1
55.05498	16.4
57.03428	3.6
58.02649	3.8
58.91814	3.9
63.32368	4.1
67.05495	33.6
69.03391	5.2
69.07059	29.5
69.54223	37.2
71.04987	6.5
73.03573	3.6
79.05486	47.3
81.07037	44.2
83.04961	6.1
88.49043	4.2
90.39573	3.9
91.05469	58.4
92.56040	3.5
93.07030	74.8
95.04953	35.5
95.08589	51.9
97.06512	16.3
98.74381	3.7
105.07009	100.0
107.04928	5.7
107.08578	61.9
109.06523	21.3
109.10141	44.8
111.08089	5.0
115.05432	6.7
115.50549	4.9
116.06236	4.1
117.07027	21.0
119.08562	85.4
121.06487	8.6
121.10132	89.3
123.08062	11.4
123.11655	14.1
125.09585	4.0
128.06189	9.4
129.06963	14.9
130.07832	4.8
131.08540	55.2
133.10112	51.4
135.08022	12.6
135.11678	16.4
135.12698	3.7
137.09529	4.7
142.07764	16.8
143.08545	29.6
144.09290	12.2
145.10101	68.1
147.08057	5.6
147.11667	25.9
149.09599	11.7
149.13263	4.0
155.08571	14.9
156.09341	14.9
157.10075	41.5
158.10881	4.8
159.08051	6.4
159.11649	25.9
161.09634	20.8
161.13219	7.3
163.03902	5.4
163.11227	4.6
163.14868	4.1
165.07054	4.6
167.08542	8.5
168.09390	4.4
169.10130	23.7
170.10883	9.9
171.11699	18.7
173.09593	7.8
173.13226	21.1
175.14816	11.8
179.08539	12.2
179.14293	6.8
181.10123	14.6
182.10825	5.7
183.11626	19.4
185.13232	14.5
187.14819	22.2
190.50761	3.7
193.10039	5.2
194.10872	9.2
195.11627	9.5
196.12402	5.3
197.13199	14.7
199.14812	10.8
209.13255	18.1
210.14001	7.1
211.14806	11.4
213.16321	7.3
223.14821	10.5
227.14311	7.9
233.13176	7.3
237.16501	4.4
239.17923	11.4
249.16365	5.6
251.17969	7.2
265.19788	6.1
266.20148	4.7
331.24020	6.6
349.25131	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62457	1.9
53.03936	13.6
54.62609	2.2
55.01859	22.1
55.05508	50.2
56.96583	2.6
57.03424	23.0
57.07075	4.0
65.03931	5.7
67.05498	78.3
67.52808	1.9
69.03410	4.9
69.07062	44.1
70.99824	2.6
71.00143	3.2
71.04976	6.0
73.02931	2.2
79.05485	100.0
80.05824	3.2
81.03419	16.9
81.07047	69.7
83.04969	29.7
83.08616	17.2
85.02940	2.3
85.06537	5.8
91.05470	69.9
93.07034	77.7
94.07324	2.0
95.01335	12.4
95.01868	2.5
95.04948	19.9
95.08592	42.9
97.06508	17.6
97.10150	14.1
99.08054	2.6
103.05457	2.9
105.06326	3.6
105.07018	65.0
107.04941	43.3
107.08586	59.8
109.06518	6.6
109.10151	27.5
111.08080	6.2
115.05466	4.1
116.06165	2.2
117.07003	26.2
117.14575	2.3
119.08566	47.7
121.06518	6.6
121.10115	27.2
123.00778	11.4
123.04424	3.7
123.07232	2.0
123.08072	7.9
123.11700	6.9
125.09625	13.9
129.07043	3.0
131.08540	33.2
133.10117	49.2
135.04442	5.0
135.08023	13.5
135.11671	10.6
137.09608	5.7
140.86009	1.9
141.01836	3.0
141.07005	4.8
143.08525	5.1
145.02876	2.8
145.06487	3.2
145.10124	25.2
147.08029	2.5
147.11678	22.9
149.09612	45.5
149.13228	6.7
153.09041	2.4
155.08496	2.3
157.10138	4.9
159.11678	20.4
161.09569	2.9
161.13232	7.3
163.03880	19.7
163.11151	6.5
163.14786	3.1
165.09058	2.7
165.12622	2.6
169.01317	15.5
171.11736	7.3
173.11798	4.5
173.13298	9.0
175.11212	2.4
175.14886	2.1
177.12733	5.9
179.14285	12.3
183.11644	3.6
187.11194	5.5
188.53534	2.3
189.11203	8.5
191.14334	2.9
201.12717	2.8
209.15437	5.2
215.17891	2.8
229.01320	3.0
229.19554	5.1
239.17912	3.3
242.10985	2.3
244.99440	2.2
247.20378	2.7
247.67389	2.0
257.18930	14.9
275.20020	57.6
276.20502	5.4
286.35040	2.3
317.80878	2.2
349.17072	3.9
349.23691	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	17.2
55.01867	26.7
55.05501	29.3
55.17393	1.8
57.03427	21.7
57.07062	2.2
59.04987	1.7
59.71708	1.7
65.03932	3.1
65.68982	1.7
67.05497	77.2
67.50549	1.6
68.05830	2.4
69.03416	2.8
69.07060	72.5
69.11575	1.9
70.11900	9.9
71.04983	4.6
77.84504	1.7
79.05486	67.3
81.03406	33.2
81.07047	100.0
83.04974	14.6
83.08616	10.7
85.02875	2.1
85.06513	3.6
85.90981	1.7
89.03917	3.9
91.05469	75.0
93.07034	67.2
93.07632	2.2
94.02205	1.9
95.01318	28.2
95.04955	28.7
95.08591	50.0
97.06518	38.0
97.10155	4.7
98.98420	4.5
99.08085	3.2
103.05459	3.8
105.04571	2.3
105.07019	87.8
107.04942	44.4
107.08580	36.9
109.02908	2.2
109.06497	11.7
109.10146	13.9
111.04428	2.3
111.08074	5.0
115.05466	2.7
116.21790	1.4
117.03387	3.4
117.07014	26.1
119.08573	49.3
121.06481	7.5
121.10136	14.2
123.00780	21.3
123.04408	5.0
123.08052	10.3
123.11697	3.9
125.09606	4.5
129.06993	4.1
131.08548	37.4
133.06503	3.4
133.10117	66.1
134.10440	1.8
135.04393	8.6
135.08006	8.2
135.11668	15.6
137.09601	5.3
141.01819	7.9
141.07031	4.0
143.08540	7.1
145.02859	3.9
145.06468	7.3
145.10101	28.8
145.68617	1.7
147.11662	19.8
149.09598	17.1
149.13235	10.9
151.11128	3.9
154.07808	2.0
155.01036	3.7
155.08594	4.3
157.10106	7.4
159.07974	2.8
159.11676	26.3
161.09595	2.8
161.13202	11.5
163.03893	34.6
163.11224	10.6
165.09090	2.7
169.01324	32.7
169.10101	7.6
171.11708	6.9
173.13231	5.6
175.11166	2.2
177.12767	9.6
179.14291	30.2
183.11656	4.8
185.13206	2.3
187.11189	9.2
187.14819	2.4
195.13780	3.2
197.13251	4.1
205.12146	2.4
207.13614	1.9
211.14876	2.8
227.07352	1.7
229.19513	3.2
239.17900	3.0
241.14098	2.4
247.20483	2.6
251.12508	2.3
254.42798	2.0
256.36496	1.9
257.19052	10.3
275.20038	65.1
276.20279	3.6
349.19861	11.2
349.23712	36.4
350.23947	2.5
363.87357	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.8
53.54979	1.4
55.01865	14.4
55.05502	48.1
57.03427	20.7
57.07072	2.2
59.04979	2.4
61.88422	1.5
65.03931	2.9
67.05495	60.2
69.03417	4.2
69.07060	20.1
70.56219	4.3
71.04977	6.7
79.05481	100.0
81.03397	6.8
81.07043	47.0
81.07520	2.0
83.04967	30.1
83.08610	14.6
85.06516	2.5
86.11411	1.5
89.03916	2.0
91.05465	49.3
93.07031	66.5
94.07366	2.2
95.01332	3.9
95.04957	16.1
95.08588	26.0
97.06532	10.8
97.10163	11.9
98.98500	3.2
99.08092	2.0
102.76511	1.5
105.04530	1.9
105.07014	47.3
107.04933	32.4
107.08572	58.6
109.06487	6.2
109.10146	23.6
111.08067	5.0
115.05420	2.8
117.03404	1.7
117.06988	18.8
119.08562	29.8
121.06471	5.3
121.10135	19.5
123.00775	16.0
123.08041	3.5
123.11684	5.2
125.09594	15.9
129.06969	4.4
131.08562	14.8
131.54675	1.5
133.10104	23.6
135.04379	6.5
135.08046	7.1
135.11673	6.9
137.09593	3.6
141.01808	5.5
141.06935	2.1
143.08534	5.5
145.02829	4.3
145.10086	17.4
147.11681	16.9
149.09595	50.2
149.13228	4.4
153.09041	2.8
153.12683	1.7
155.01003	2.3
157.10071	3.8
159.11658	11.6
161.09663	2.7
161.13226	8.8
163.03882	20.3
163.11151	5.3
163.14809	3.0
164.04202	1.7
169.01285	15.3
169.10121	2.2
169.12251	4.5
171.11626	2.9
173.11786	3.2
173.13255	5.9
177.12785	2.4
179.14284	3.4
183.11696	3.2
185.13228	2.0
187.11130	2.4
189.11176	6.5
191.14340	2.5
195.13847	1.8
197.13208	3.6
209.15343	4.3
229.19540	3.2
239.17920	2.6
247.20575	5.7
251.12523	13.2
257.19012	8.9
259.13489	1.6
269.12357	3.9
275.20013	43.5
276.20428	1.8
323.92233	1.6
330.95682	1.5
349.19800	88.7
349.23718	30.5
350.20197	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.0
55.01862	11.4
55.05503	23.8
56.96549	6.0
57.03431	17.3
63.13570	3.5
63.70148	3.9
65.22083	3.5
67.05502	51.5
69.03436	4.9
69.07071	39.2
70.25512	4.4
71.04974	5.4
71.74191	5.3
79.05482	59.9
81.03408	6.9
81.07047	100.0
83.04963	6.5
83.08599	10.3
89.03941	4.1
91.05471	46.2
93.07041	52.7
95.01322	5.7
95.04967	14.5
95.08595	28.7
97.06530	15.8
97.10153	5.3
98.03781	3.1
105.07022	46.4
106.96656	3.5
107.04954	10.4
107.08587	37.3
109.06497	24.2
109.10145	13.3
117.03399	7.4
117.07001	19.4
119.08568	38.6
121.06516	6.1
121.10147	19.2
123.00762	31.2
123.08057	8.0
123.11733	7.4
125.09695	4.7
129.06989	6.7
131.08533	31.9
133.10101	36.1
135.04454	8.8
135.08070	6.4
135.11700	10.4
137.09552	5.0
141.01820	11.3
143.08502	6.9
145.10159	20.2
147.11676	22.4
149.09625	10.4
149.13232	5.6
155.08495	4.7
157.10092	6.2
159.11694	16.2
161.13283	4.2
163.03902	49.2
163.11188	10.0
163.14783	6.0
169.01308	34.1
171.11708	6.0
173.13248	9.4
177.12799	7.1
179.14285	5.7
183.11688	6.1
197.13091	4.3
219.11810	3.6
239.17876	5.4
247.20485	5.2
257.18979	13.3
275.20111	36.5
331.15805	9.5
349.16769	9.9
349.20239	5.4
349.23743	45.9
350.23846	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
67.05463	2.2
69.03403	1.8
69.07051	2.1
70.06577	5.3
71.74179	2.1
72.98399	1.6
79.05476	4.5
81.03390	1.9
81.07027	2.0
84.04489	6.3
84.08123	2.5
85.02895	2.6
85.04838	2.6
86.09706	3.8
89.03893	6.0
90.72437	1.4
90.79005	1.3
91.05465	3.4
93.07005	2.0
94.06551	3.7
95.01324	3.8
95.04949	2.5
97.02876	2.7
105.07032	2.7
106.06542	6.6
107.04909	2.5
109.02905	1.9
109.06464	1.8
110.06060	2.3
117.03381	5.0
120.08092	3.2
122.06019	3.5
123.00777	32.6
127.03873	2.8
129.10275	2.1
132.08095	1.6
134.05972	6.2
135.04404	14.2
136.07541	1.9
139.03900	1.8
141.01811	15.6
145.02831	7.2
146.08430	1.7
148.07504	2.9
152.07034	6.8
155.07298	1.8
158.05922	1.4
160.07535	3.0
163.03889	56.9
164.04243	2.0
166.08629	2.2
169.01317	44.7
170.01663	2.1
170.09689	3.9
171.09090	1.9
172.09856	2.5
174.09125	2.1
185.10741	1.7
187.12300	9.6
188.10756	2.7
197.10681	2.7
198.09180	4.0
199.08609	10.9
200.09396	5.3
201.10141	5.3
209.16470	1.5
212.09256	1.8
213.10199	5.7
213.48743	1.6
214.10948	8.8
215.11778	24.6
225.10229	4.7
226.08649	4.2
226.10747	1.7
227.08191	3.5
228.08896	2.0
229.13348	2.0
239.11774	1.8
241.09706	5.5
241.13295	2.9
242.10492	3.7
243.11273	100.0
244.11548	1.7
256.12009	4.6
257.12790	4.5
258.11212	1.7
260.11758	1.8
269.12857	10.4
271.10760	53.1
272.11340	1.7
285.09436	2.3
285.12289	38.2
289.11728	2.8
303.09937	3.1
303.13358	59.5
313.11816	49.7
314.12094	2.2
317.10394	1.8
331.12823	24.8
349.13199	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
56.96569	1.2
57.03416	1.5
61.60741	1.0
61.67842	1.0
64.15709	1.0
69.03416	1.5
70.06593	2.8
70.52721	4.7
73.02908	2.4
77.00905	1.6
81.03391	1.5
81.07062	6.2
83.04959	2.9
84.04489	3.4
84.08128	2.9
85.02895	1.1
86.09704	1.6
87.02674	1.8
87.10074	1.1
89.03889	1.7
91.05473	1.1
95.01334	1.5
99.08060	2.8
102.51363	1.0
105.06979	1.2
113.02314	1.1
117.03344	1.9
119.01934	1.9
119.04913	1.9
122.02696	1.2
123.00792	7.0
127.03845	1.2
131.06862	1.1
135.04399	2.9
136.06172	3.5
137.06595	2.2
141.01781	3.0
147.04381	6.0
153.12735	2.9
162.96692	1.0
163.03886	13.5
168.06490	1.5
169.01321	9.6
171.04376	1.0
171.13791	1.9
173.02997	1.7
185.04269	1.1
186.03712	1.1
187.03703	2.0
189.05450	3.1
198.96823	1.2
202.09004	3.4
223.04524	1.3
234.99022	4.1
243.11421	1.3
247.04510	5.4
259.04465	2.3
265.05487	5.0
277.05753	1.2
289.05548	2.3
303.05072	1.6
307.06464	2.6
331.09409	3.0
338.83206	1.1
349.08917	100.0
350.09027	1.8
367.08762	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1388
Annotation	Achillamide
Peak:m/z	Relative Intensity
55.01861	4.9
56.05033	2.5
67.05476	3.8
69.03428	3.3
69.43020	18.4
69.43433	6.0
70.06584	7.9
79.05472	5.7
80.04980	2.6
81.07042	2.8
84.04501	2.3
84.08118	4.8
86.09692	6.9
89.03899	8.3
91.05453	2.8
92.04978	2.4
94.06544	7.5
95.01292	7.9
97.02873	4.0
97.06472	2.5
98.06016	3.3
102.80342	2.4
106.06554	3.2
108.04457	29.8
108.08104	2.9
109.02856	3.4
110.06099	2.6
115.64618	2.7
117.03371	7.3
119.04943	4.5
119.08577	2.8
120.08060	3.5
122.06009	10.6
123.00777	53.1
129.10223	3.5
134.05960	4.2
135.04395	22.6
136.07520	3.4
140.07010	7.2
141.01793	15.7
145.02812	10.8
147.04375	3.4
150.05463	7.3
163.03880	77.4
164.04280	3.6
164.07031	3.7
166.08615	3.2
168.06544	32.8
168.07907	4.2
169.01292	60.2
170.09599	3.8
182.08095	27.3
184.09903	4.2
185.10716	3.9
187.12219	4.4
197.10719	10.4
198.09138	10.3
199.08644	14.3
200.09396	7.8
201.10162	8.4
211.08678	11.7
212.09296	21.9
213.10190	64.9
214.10934	13.3
215.11684	11.8
224.09035	3.1
225.10211	25.7
226.08702	4.5
226.10979	7.6
227.11601	11.1
229.09694	3.9
238.10820	3.5
239.08217	5.3
239.11827	7.7
240.08687	15.9
241.09703	19.0
243.11223	37.1
244.09634	6.8
253.09653	21.3
254.07919	4.1
254.10361	19.6
255.11337	15.2
257.09271	7.5
257.12631	3.9
261.12369	27.0
262.18390	2.6
267.11224	6.8
271.10709	28.5
272.11514	100.0
273.12283	45.6
285.12250	17.9
286.10590	5.7
287.13837	9.2
289.11798	29.6
301.11560	3.0
303.13327	66.7
313.11636	7.2
317.11166	7.6
321.14417	41.7
331.12833	66.6
349.13901	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01873	0.8
55.05504	1.1
57.03440	0.7
63.02392	0.4
67.05515	2.2
68.99785	1.0
69.03424	1.5
69.07063	1.7
78.66381	0.5
79.01843	0.8
79.05482	3.7
81.03428	0.6
81.07057	3.2
83.01332	0.5
83.05003	0.6
89.03907	9.2
91.05483	2.1
93.07029	2.0
95.01322	9.3
95.01893	0.7
95.04956	0.9
95.08594	3.3
97.02874	0.8
97.06540	1.0
99.00787	0.5
100.60967	0.5
105.06995	2.6
107.04957	3.5
107.08607	2.2
109.06504	1.3
109.10149	0.8
117.03364	10.7
117.07027	1.0
119.08575	2.1
121.06469	0.5
121.10126	1.4
123.00778	64.6
123.08085	0.8
124.01104	0.6
129.06937	0.5
131.08548	1.2
133.10120	1.7
135.04399	24.8
135.11690	0.7
136.04625	0.5
137.09612	0.5
139.05463	0.5
141.01810	25.2
142.02058	0.6
143.08493	0.5
145.02827	15.0
145.06502	0.6
145.10086	1.2
146.03258	0.6
147.04391	0.7
147.11670	0.8
149.09590	0.6
157.10127	0.8
159.11659	1.5
162.70505	0.5
163.03886	100.0
164.04268	1.7
165.12761	0.6
169.01306	76.4
170.01666	0.9
171.11667	0.6
176.62685	0.6
186.05501	0.8
257.18860	0.6
275.20007	1.3
305.90915	0.5
349.05606	0.5
349.16275	0.6
349.23688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51012	0.5
53.11832	0.4
55.05503	4.6
63.02358	0.5
68.99790	0.6
69.03413	1.7
70.06573	0.5
70.85667	1.6
79.01858	0.7
79.05481	1.7
81.03417	1.2
82.06580	1.2
83.04974	0.7
83.08600	2.8
84.08145	0.7
84.08916	0.5
84.87908	0.5
85.02906	0.6
89.03907	9.3
91.05452	0.5
95.01320	8.7
95.04981	0.8
97.02879	1.2
99.04426	0.6
100.07607	1.6
100.09430	0.8
100.11240	15.5
101.11543	0.5
107.04919	2.8
109.02889	0.5
110.06005	0.9
111.04429	1.6
112.07586	0.7
117.03365	11.5
123.00773	68.8
124.01127	0.9
127.03912	1.0
128.07085	0.8
135.04398	20.6
141.01805	21.0
141.11430	1.5
145.02829	14.6
145.03920	1.0
156.03708	0.5
163.03882	100.0
164.04211	2.2
169.01302	79.7
170.01653	1.1
182.15349	4.5
199.18066	0.6
209.16499	1.8
210.14879	4.7
213.17813	1.3
221.08131	0.5
227.17534	4.0
228.15868	0.6
229.04984	0.6
243.08871	1.2
245.18399	0.6
259.06061	0.7
268.10675	0.6
276.72757	8.0
277.22772	0.9
285.03793	0.8
285.24158	0.9
324.11444	1.9
324.61609	0.8
337.21658	0.5
340.25821	1.0
343.30661	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
67.05505	1.6
68.99787	0.6
69.03421	1.4
69.07056	0.5
70.06589	0.5
70.63175	1.6
71.27537	0.4
79.01831	0.7
79.05485	2.0
81.07050	1.4
84.00977	0.4
84.04495	3.6
84.53526	0.4
85.02875	0.7
85.04831	0.7
85.06523	0.5
89.03905	7.8
91.05471	1.2
93.07046	0.8
93.11861	0.4
95.01315	7.3
95.04945	0.9
95.08589	1.0
96.96052	0.4
97.02871	0.6
99.00787	0.5
99.04411	0.7
100.11237	1.2
105.07041	1.5
107.04948	2.2
107.08604	0.7
109.02859	0.7
109.10141	0.5
117.03368	10.1
119.08546	0.9
121.10116	0.5
123.00777	63.0
123.08028	0.5
124.01141	0.9
126.05499	0.9
131.08513	0.5
135.04404	24.1
141.01814	22.6
145.02837	15.1
145.10069	0.9
147.04457	0.5
147.11620	0.6
147.50011	0.4
159.11633	0.7
163.03885	100.0
164.04227	1.8
169.01308	74.0
170.01643	1.6
173.06030	0.5
186.05496	0.8
192.33662	0.4
210.14870	0.6
229.04878	0.5
257.18997	0.6
258.16379	0.5
259.06271	0.4
296.32327	0.4
345.73010	0.5
349.06088	0.5
349.13300	1.2
349.23822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20862	3.1
55.05499	9.7
57.03410	5.4
67.05500	27.1
69.03423	5.9
69.07047	9.7
70.05827	16.9
79.05479	13.8
81.07043	21.2
83.04982	2.7
83.08609	6.3
85.16212	2.8
89.03905	8.0
91.05475	10.1
93.07038	12.8
95.01324	7.6
95.04971	4.1
95.08578	11.6
97.02858	3.8
97.06535	6.2
97.10162	5.3
98.20776	6.3
105.07047	8.8
107.04939	4.8
107.08568	13.3
109.06498	3.3
109.10161	15.8
111.08069	5.8
117.03366	11.9
117.06966	2.8
119.08560	8.1
121.10194	4.3
121.28321	2.7
123.00779	63.6
125.09643	4.4
131.08511	4.0
133.10126	8.9
135.04434	22.1
135.11722	7.1
136.06128	3.7
137.09615	3.8
141.01790	21.8
145.02797	15.3
145.10121	4.0
149.13251	8.5
151.11160	4.6
155.10646	7.3
159.11714	5.4
163.03899	100.0
163.05327	4.6
165.12711	3.8
169.01320	73.0
173.11728	39.5
186.05466	3.1
189.11238	7.5
195.13737	15.5
213.14828	8.7
277.21576	15.0
295.22748	6.9
359.10828	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1763
Annotation	Asp Thr Leu
Peak:m/z	Relative Intensity
56.05031	9.9
57.03423	2.4
58.06597	6.9
69.07074	2.2
70.02951	5.6
70.54797	4.0
70.55147	1.7
72.08160	2.0
74.02445	1.4
74.05670	2.8
74.06073	46.7
82.06584	6.9
84.04498	35.1
85.04000	1.3
86.09699	57.4
87.10037	2.3
88.03986	28.0
90.13600	1.5
98.02414	2.5
100.07608	14.2
101.07114	3.1
102.05550	1.7
110.06058	3.4
111.05563	6.9
112.03949	5.8
112.11235	2.2
118.44592	1.3
124.11210	2.0
125.07088	1.5
126.05508	51.0
127.05025	1.6
128.73560	1.3
129.06589	14.1
130.04947	1.8
132.10201	23.1
136.03873	3.1
136.06180	10.7
141.13863	4.0
143.11646	1.4
144.06549	100.0
153.06557	5.2
154.04977	4.2
158.11714	2.1
169.13318	2.6
170.09258	4.2
171.07611	13.3
187.14452	2.5
189.08690	83.0
190.08990	2.0
197.12845	4.5
198.08707	3.1
199.07111	9.1
215.13959	3.3
217.08195	51.5
233.14995	8.5
234.99007	1.7
240.13593	1.5
243.13341	3.9
284.16052	7.4
306.73212	1.4
312.15518	1.9
330.16592	13.6
348.12286	1.7
349.09155	2.0
353.56158	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0703
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
51.87029	0.2
56.96557	0.5
57.03418	0.6
60.04502	0.3
69.03425	1.5
70.06573	0.4
70.79528	0.5
72.08149	0.4
74.06075	0.3
81.03436	0.4
81.35954	0.2
84.04493	0.4
84.08126	0.3
85.02898	6.2
86.09695	1.7
94.04026	0.3
97.02890	2.1
98.97576	0.4
98.98456	2.2
102.33160	0.2
115.03948	0.3
116.98633	0.3
119.01901	0.5
119.03522	1.1
120.02004	0.3
123.04421	1.9
126.05497	0.5
136.06174	100.0
136.99974	0.3
137.04553	0.7
137.05672	0.3
137.06531	0.8
143.01906	0.5
144.02017	0.7
144.06537	0.6
145.04976	0.3
151.03870	0.4
161.02946	0.7
162.03139	0.7
164.99437	2.3
169.04964	0.9
177.00842	0.3
186.27419	0.3
187.04529	0.3
187.14429	0.4
189.08708	0.5
204.04128	0.4
213.01572	0.5
215.13924	0.4
217.08127	0.3
219.01797	0.3
237.02837	0.3
250.06111	0.3
288.09866	0.3
330.05942	0.5
348.07007	7.1
349.07831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56239	2.3
53.03933	4.2
55.01861	6.2
55.05505	12.6
57.03423	4.4
57.07076	5.0
59.05003	6.5
65.03932	4.6
67.05505	18.0
69.03409	9.1
69.07047	9.7
70.19159	10.4
71.04981	3.9
75.64571	3.0
79.05476	18.9
81.03410	2.6
81.07044	39.8
81.16509	2.5
83.04963	9.1
83.08596	4.1
84.08127	3.7
85.06544	3.9
91.05463	32.7
93.07035	52.5
95.04957	22.0
95.08588	16.4
97.06529	14.7
101.05990	3.8
105.07013	40.9
107.04956	3.6
107.08574	43.4
109.06500	19.6
109.10135	23.1
111.08092	2.9
113.60289	2.7
115.05444	3.2
117.06998	5.2
119.08556	16.6
121.06487	23.0
121.10143	30.3
122.07237	2.4
123.08055	41.2
125.06003	17.8
125.09609	3.6
127.03913	3.2
128.06242	3.6
129.06952	8.0
131.08557	28.8
133.06499	9.2
133.10135	14.2
135.08057	10.7
135.11655	4.4
136.06197	4.2
137.06003	6.9
137.09579	7.6
139.07526	8.7
143.08560	7.6
145.10118	11.9
147.08018	3.0
147.11636	7.0
149.09615	37.1
151.07518	100.0
155.08459	3.7
157.10106	8.6
158.10880	2.6
159.08052	4.7
159.11691	5.0
161.09596	5.8
163.11180	4.6
165.09113	6.6
167.07094	4.4
167.10660	25.0
169.10081	2.8
171.11656	7.9
173.09578	7.6
173.13226	7.6
175.11189	5.4
177.09152	13.1
181.08611	4.7
181.10146	4.0
183.11505	2.9
184.19044	2.7
187.11179	3.5
187.14841	4.4
189.12727	38.4
191.14297	7.6
207.13782	56.5
209.13103	4.0
211.11092	3.4
215.14291	5.6
217.12433	4.1
221.15353	6.5
229.12416	4.0
233.15359	4.3
237.14857	12.3
243.13806	3.1
255.13724	3.3
273.14822	9.9
288.20935	4.6
291.15912	4.9
311.20047	4.1
329.20944	16.1
347.18201	30.8
347.22177	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1311
Annotation	Nordercitin
Peak:m/z	Relative Intensity
61.02881	0.8
69.03410	2.2
70.06594	2.1
70.77660	2.4
71.92963	0.8
72.08133	1.4
76.32016	0.7
81.03387	1.2
84.04487	1.0
84.08134	3.2
85.02887	4.0
86.09694	6.4
87.10039	1.7
91.05481	0.8
97.02866	1.9
119.01879	1.9
120.08078	1.0
123.27723	0.8
129.10266	1.0
130.06541	0.9
136.06158	1.5
137.05930	1.5
151.07489	1.1
156.08023	1.1
157.08763	0.8
167.06787	1.8
183.26350	0.7
185.04234	3.4
185.07848	10.8
203.05263	9.2
240.47948	0.8
241.09775	0.9
245.04984	1.6
273.01877	0.8
285.13055	6.3
301.12561	70.1
302.12823	2.4
329.11362	1.2
347.13107	100.0
348.13431	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2209
Annotation	[4S-[4alpha(E),4aalpha,5alpha,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-8a-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester  3-methyl-2-pentenoic acid
Peak:m/z	Relative Intensity
53.03922	4.4
55.01869	5.0
55.05498	14.2
57.03424	4.3
57.07066	5.9
59.04978	7.4
67.05500	20.5
69.03413	10.8
69.07052	11.1
71.04954	3.5
71.10145	7.3
79.05468	21.4
81.07044	29.4
83.04966	8.3
83.08599	6.0
91.05466	25.0
93.07030	52.3
95.04961	19.8
95.08592	16.3
97.06515	19.7
99.04444	4.2
100.07536	3.9
103.05434	5.8
105.07040	31.7
107.08572	41.6
109.06500	17.9
109.10142	22.3
111.08086	7.1
117.07039	3.7
119.08582	19.7
121.06499	21.0
121.10135	24.3
123.08051	33.7
125.05154	4.3
125.05984	14.5
127.07497	3.9
129.07004	4.0
131.08543	28.0
133.06419	5.9
133.10106	13.7
135.08055	11.0
137.05959	4.7
137.09567	9.8
139.07489	8.2
143.08553	10.8
144.09311	3.5
145.10075	14.1
147.07956	4.2
147.11678	4.3
149.09576	29.7
151.07530	100.0
157.10132	12.5
159.08032	5.7
159.11729	8.7
161.09598	8.5
167.07039	4.4
167.10658	24.6
171.11656	8.8
173.13217	8.3
177.09143	12.9
181.56427	5.1
183.11729	5.8
185.13237	4.8
189.12720	30.2
191.14218	6.1
195.11768	5.5
203.14056	4.2
207.13762	49.9
209.13252	5.7
215.14249	4.7
217.12144	3.9
221.15335	8.4
229.12192	4.3
233.15237	6.9
237.14886	10.4
255.13730	5.7
266.09412	4.4
273.14859	6.4
291.15854	4.7
301.11160	4.3
303.12778	4.7
311.20111	6.1
317.12259	4.0
329.21216	15.1
331.12280	5.2
347.18100	5.3
347.22144	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1235
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
50.64414	0.4
55.01867	5.6
55.05499	0.6
57.03411	0.7
65.03900	0.4
67.05470	1.2
68.35966	0.4
69.07028	1.0
69.71156	3.5
70.06560	0.6
71.04935	0.5
79.05472	0.8
80.04990	0.5
81.03366	0.7
81.07018	1.0
84.04512	0.7
85.06532	0.9
91.05430	1.0
93.07038	0.9
95.04929	0.9
95.08558	0.7
97.06515	0.7
105.06978	0.7
106.33050	0.4
107.04926	0.5
107.08604	1.1
108.04425	1.4
110.06041	1.1
111.04328	0.5
119.08591	0.5
122.06012	0.7
128.06169	0.6
130.06476	0.5
131.08533	1.1
133.10069	0.6
134.05986	1.1
135.11673	0.6
137.05948	0.7
138.05472	1.1
143.07281	0.6
143.08440	1.0
144.02756	0.9
144.07973	0.7
146.05975	1.1
147.07996	0.5
148.03888	0.6
148.07573	0.7
152.03371	1.6
154.06480	1.0
155.08461	0.6
156.08037	1.2
157.07555	0.8
157.10080	0.6
158.05927	0.9
158.09610	1.2
159.11696	0.5
160.03915	1.0
161.04709	1.1
162.05473	1.6
165.08981	0.5
167.07257	0.6
168.06563	1.0
168.07968	0.7
169.07588	0.7
170.08327	0.9
171.09128	1.9
172.07526	0.8
172.81641	0.4
175.11176	0.6
176.07002	1.7
178.05019	4.1
182.09624	1.0
183.09116	1.5
184.06209	1.1
184.07642	0.9
184.09795	0.7
185.07050	3.1
185.10721	1.6
186.07602	0.7
186.09219	1.0
187.05025	2.9
193.07520	0.6
193.12242	1.3
195.09183	1.6
196.07568	1.2
196.09886	0.9
197.07069	1.8
198.07828	1.7
199.08643	7.5
199.12225	1.0
200.07114	0.6
200.09132	0.9
201.06578	5.3
201.10188	2.9
205.06013	1.4
209.07112	1.3
209.10667	1.3
210.09094	1.8
210.11031	0.6
211.08669	3.3
211.12146	0.8
212.07333	0.5
212.09119	0.8
212.10849	1.0
213.04729	0.8
213.06610	7.6
213.10175	8.6
214.08719	1.0
214.10655	0.5
215.08194	0.9
215.11949	0.7
219.07610	1.4
221.07262	0.5
222.07776	1.1
223.06412	0.6
223.08611	1.3
223.17039	0.6
225.06471	0.7
225.10187	0.9
226.08777	0.9
227.08136	11.2
227.11678	4.1
228.06563	1.0
228.10135	1.5
229.09669	4.5
229.13214	0.9
231.07593	5.5
237.10226	3.5
238.08617	2.0
239.08144	2.2
239.11795	1.4
241.06059	1.2
241.09706	9.1
242.10255	0.7
243.07584	0.9
243.11298	1.3
245.05501	0.7
245.09163	2.2
247.10912	0.5
250.07301	1.2
251.08116	1.0
255.07623	12.9
255.11226	9.7
257.09241	3.2
257.12799	1.6
259.07153	1.4
259.10934	2.8
265.09720	4.7
266.08057	1.2
267.07666	2.7
268.09561	0.6
269.09189	10.5
269.12659	1.0
270.09601	0.8
273.08673	6.8
273.12070	1.2
274.09238	0.8
275.10150	1.4
275.13943	0.8
283.07312	1.3
283.10754	24.9
284.11240	0.8
284.16299	0.5
285.08640	0.8
285.12314	0.8
287.10217	4.2
293.09216	8.5
301.11829	5.9
303.13242	0.5
311.10236	46.6
312.10709	2.9
315.13315	2.0
319.12915	3.0
329.11292	91.8
330.11603	4.7
347.12350	100.0
348.12653	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1233
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01847	2.5
55.44267	0.7
55.91477	0.6
57.62577	0.6
58.22444	0.8
62.30692	0.8
65.03935	4.3
67.05492	5.8
68.84693	0.7
69.03419	1.0
69.07041	3.2
70.06564	1.5
70.34284	2.6
79.05469	1.3
79.90396	0.6
81.03388	1.2
81.07036	1.5
82.06532	0.8
85.02884	2.4
86.09685	1.6
91.05447	1.7
92.04988	15.9
94.06555	1.7
95.04938	2.8
96.04467	3.1
97.02863	1.2
97.06496	1.2
99.04404	0.9
108.04501	0.9
110.06017	1.6
111.04468	0.9
113.02374	0.8
120.04433	8.2
122.05979	2.6
124.85654	0.7
134.05995	1.0
136.06131	1.3
136.07565	1.8
137.05920	0.7
138.05472	13.8
146.05957	1.6
153.07014	1.7
156.08084	0.8
157.08757	0.9
162.05501	1.1
164.07042	10.0
166.04968	13.6
170.09589	3.0
172.07565	1.7
176.07037	2.1
182.08112	8.1
183.06725	2.4
184.07564	1.4
184.11203	2.2
185.10719	2.3
185.15250	0.8
186.09164	1.0
187.14401	0.9
195.92960	0.7
196.07547	2.3
197.08275	1.1
198.07748	1.3
198.09172	12.4
199.08589	5.0
200.09380	1.6
201.10159	1.5
208.05956	2.1
209.10669	0.7
210.09018	1.4
211.08681	0.9
212.10753	4.1
213.06595	2.5
213.10141	9.5
214.08563	3.1
214.10893	2.5
215.08162	2.3
223.08647	1.3
224.07089	1.5
226.08655	18.8
227.08043	6.6
227.11554	3.6
228.08876	2.2
229.09663	1.5
231.11345	1.2
238.08562	1.8
239.11719	1.6
240.10249	4.9
241.09677	32.7
242.08194	0.9
242.10355	4.6
255.11221	7.3
256.09702	3.1
257.09357	2.0
258.11276	2.0
259.10757	8.2
260.11533	1.6
265.09683	2.7
266.07941	1.7
267.11267	3.2
268.09674	8.4
269.09177	9.0
273.12296	1.8
277.57953	0.9
283.10660	7.4
284.08841	1.8
286.10632	7.4
287.10217	17.9
288.10690	1.5
293.09253	1.3
301.11765	22.7
311.10175	6.8
319.12799	7.3
329.11166	7.4
329.14240	0.8
330.09775	1.0
347.12326	100.0
348.12717	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.7
55.05502	0.8
69.07051	1.1
69.74608	3.6
70.06573	0.7
84.08160	0.8
85.02892	1.1
86.09696	0.8
94.06564	0.7
97.02883	0.8
98.85837	0.5
108.04485	0.8
110.06007	1.1
117.06982	0.6
129.06999	0.8
134.05925	0.6
138.05473	1.1
146.05994	0.6
152.03403	1.5
157.07527	0.9
158.09500	0.6
160.03926	1.5
161.04672	1.0
162.05511	0.8
167.07245	1.0
168.08113	0.7
170.09666	0.9
170.11761	0.8
171.09216	1.0
176.07066	1.5
178.04945	4.2
182.09653	0.9
183.09203	1.1
184.06216	0.8
184.07715	0.6
185.07063	2.8
185.10750	1.0
186.09134	0.8
187.05016	1.8
188.03387	0.8
194.09908	0.6
195.09100	0.6
196.07526	0.7
197.07034	1.2
198.07703	0.7
198.09366	1.0
198.11238	2.4
199.08656	5.3
201.06583	4.4
201.10233	1.6
205.06055	1.5
209.07068	1.0
209.10727	1.0
210.09071	1.3
211.08609	1.4
212.09213	1.2
212.10960	0.6
213.06580	6.6
213.10182	4.4
215.08110	0.6
215.88242	0.5
219.07553	1.1
222.07758	0.9
225.06493	1.2
227.08147	8.9
227.11792	3.0
228.10231	1.2
229.09756	3.5
231.07645	4.2
237.06465	0.6
237.10118	2.8
238.08606	2.0
239.08105	1.9
239.11748	1.1
241.06155	1.0
241.07298	0.7
241.09660	6.8
242.10268	0.7
243.07565	0.8
243.11220	1.0
244.11906	0.7
245.09273	1.6
251.08107	1.6
255.07634	10.5
255.11256	6.5
257.09122	2.4
257.12793	1.4
259.06924	0.9
259.10794	1.0
263.78839	0.6
265.09653	3.9
266.08035	1.2
267.07660	2.0
267.11066	0.9
269.09192	7.7
273.08688	5.9
273.11917	1.1
275.13910	1.0
283.10742	21.9
284.08936	0.9
285.12320	0.7
287.10162	3.9
293.09180	5.7
301.11768	4.7
303.13541	0.7
311.10229	41.4
312.10504	2.3
319.12842	2.1
329.11285	73.9
330.11569	4.6
347.12329	100.0
347.16684	24.8
348.12671	7.5
348.16849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	41.8
57.03425	14.6
63.31914	7.6
66.24934	7.5
67.05499	87.6
69.03412	12.3
69.07056	40.3
70.17162	7.3
79.05492	54.6
80.11655	8.1
81.03361	9.5
81.07046	100.0
82.07356	11.8
83.04960	18.7
83.08595	32.9
91.05460	38.7
91.66537	9.1
93.07037	67.3
95.04974	10.8
95.08582	39.0
97.06520	60.4
97.10154	24.3
98.97574	36.7
105.07017	36.4
106.49156	9.6
107.08607	43.0
109.10162	84.0
110.49113	8.3
111.08075	8.9
116.98624	17.0
117.06990	15.1
117.55994	8.6
119.08562	46.1
121.06519	12.6
121.10116	19.6
123.08054	16.9
127.03007	8.3
130.27722	8.3
131.08456	10.6
131.71642	9.0
133.10112	25.0
135.08031	10.1
135.11650	12.9
145.10135	13.7
147.11697	15.7
149.09605	17.9
149.13246	19.6
155.10609	14.0
159.11717	24.9
173.01164	13.2
173.11739	92.8
177.00687	11.0
177.12708	10.9
189.11232	20.5
195.13777	31.3
213.14844	13.4
257.18945	15.9
275.20099	69.7
276.20361	10.8
293.21161	11.5
346.13489	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53862	2.5
52.15844	2.3
52.24854	2.2
55.05493	10.8
58.99580	5.1
59.95404	2.2
67.05482	10.1
69.03412	5.9
69.07063	4.6
71.74187	3.3
72.08137	6.1
77.68053	2.1
79.05483	5.1
80.04993	5.9
81.03381	5.9
81.07066	12.3
83.04935	2.4
83.08609	5.4
85.02890	2.8
86.09693	8.4
87.10030	3.0
88.37198	2.9
91.05466	7.1
92.25562	2.3
92.92235	2.5
93.07017	5.3
94.04179	3.8
95.04951	5.4
95.08591	7.6
97.02868	11.0
97.06487	4.4
99.04435	2.7
103.05471	12.4
105.07012	8.3
107.04971	3.3
107.08566	4.2
108.04459	2.3
109.02851	3.9
109.06517	4.1
109.10121	11.5
114.03731	9.3
116.01653	8.5
117.07038	3.8
119.08567	7.5
121.06506	5.9
121.10135	3.3
122.03609	8.6
123.04389	6.9
127.03870	5.2
131.04939	12.3
133.06479	14.3
135.08029	5.6
137.05965	100.0
137.09587	13.5
142.03210	60.0
144.01253	3.2
145.06520	3.4
150.10277	2.6
151.03885	2.8
151.07500	4.9
153.01802	2.7
153.05472	6.6
155.10716	3.4
159.08301	6.1
162.02174	12.0
163.07515	27.8
165.09149	13.1
170.02686	23.4
175.07489	2.8
186.16759	3.7
187.07527	3.7
189.09033	3.6
245.05840	11.3
245.20879	2.3
262.10919	3.0
263.10587	3.6
268.03046	3.1
276.19525	2.4
285.11081	2.9
295.13101	2.7
300.05753	3.3
302.17599	4.5
315.04977	3.6
317.06445	4.1
328.05212	7.9
335.65381	2.4
345.09698	8.1
345.20584	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1543
Annotation	8-Epiiridotrial glucoside
Peak:m/z	Relative Intensity
53.03928	3.6
55.01849	1.8
55.05317	0.9
55.05506	10.9
57.03421	3.4
58.99562	2.2
67.05496	25.2
69.03423	9.8
69.07069	2.6
70.06576	1.2
71.04980	2.6
71.74286	1.1
72.08157	2.6
79.05464	4.8
80.04994	7.5
81.03409	20.1
81.07034	15.5
83.08607	6.0
84.04487	1.3
84.16920	1.0
85.02894	8.2
86.09674	3.3
86.99008	1.5
87.10027	1.7
91.05457	2.4
93.07023	4.7
94.06532	1.1
95.04971	5.1
95.08597	9.2
97.02875	4.4
97.06507	2.0
99.04440	1.8
107.08578	3.3
108.04427	1.5
109.02865	9.9
109.06489	2.1
109.10143	50.9
110.10483	1.4
114.03722	5.0
116.01653	7.2
117.07015	1.5
119.08575	4.9
125.05976	1.7
127.03898	8.6
127.07560	1.3
136.03955	1.6
137.05995	1.9
137.09595	100.0
138.09937	1.7
142.03194	43.1
144.01129	2.6
155.10660	6.9
159.08369	3.8
162.02199	8.0
165.09094	66.9
170.02673	14.4
173.09901	1.1
183.10239	5.7
199.05328	2.8
201.11174	5.4
211.08835	1.5
227.04884	2.6
245.05867	6.5
262.11096	1.5
309.13434	2.0
315.04752	1.7
327.14255	4.7
330.06418	2.9
345.08722	8.7
345.13187	1.5
347.14401	1.2
359.42682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1542
Annotation	Taxuside
Peak:m/z	Relative Intensity
53.03941	2.0
55.01861	1.7
55.05500	4.6
57.03421	3.5
67.05495	25.1
67.37150	0.8
69.03427	6.5
69.07056	2.0
71.04987	1.9
71.05441	1.3
71.05805	1.3
79.05482	2.8
79.68107	0.9
80.04994	1.3
81.03410	8.7
81.07047	16.4
82.07376	0.8
83.05006	1.4
83.08594	1.3
84.04486	0.9
85.02905	5.1
86.09682	0.8
91.05469	3.7
93.07043	6.5
95.04971	3.8
95.08597	8.7
97.02873	2.5
97.06509	1.1
99.04439	3.8
99.08104	1.2
105.07103	0.9
107.08571	3.8
109.02885	7.2
109.06488	2.3
109.10143	50.2
111.32417	0.8
114.03748	1.9
116.01669	1.4
119.08561	3.7
121.10146	0.9
125.05960	1.6
127.03883	5.3
129.06964	1.0
130.50740	0.8
133.10072	1.1
137.09599	100.0
138.09904	1.6
142.03201	11.8
143.08484	0.9
155.10641	7.3
159.08324	2.1
162.02159	1.9
165.09097	74.7
165.17038	0.9
166.09422	1.6
170.02696	3.9
183.10164	4.3
201.11151	5.7
209.91786	0.8
245.05862	1.9
271.16931	1.4
302.17416	1.5
309.13229	3.0
327.14404	3.5
328.05173	1.7
345.09894	1.2
345.14639	0.9
345.21353	1.0
360.82080	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1539
Annotation	8-Epiiridotrial glucoside
Peak:m/z	Relative Intensity
53.03933	2.0
55.01854	1.9
55.05509	3.3
56.96566	0.9
57.03420	2.9
65.03912	0.7
67.05494	25.9
69.03421	7.0
69.07046	1.8
70.03967	3.1
70.06590	0.6
71.01356	0.6
71.04976	1.5
72.08117	0.8
73.02924	0.6
79.05491	2.8
81.03409	9.4
81.06599	1.0
81.07045	15.4
83.08601	0.8
85.02882	5.1
85.06535	0.8
86.09674	1.3
91.05462	1.9
93.07014	4.4
95.04955	5.3
95.08592	9.9
97.02863	2.3
97.06538	0.7
99.04430	4.0
99.08065	1.1
105.06994	0.8
107.08545	3.0
109.02865	6.6
109.06495	1.7
109.10143	54.6
110.10487	1.0
119.08576	4.1
121.10133	0.7
123.08058	0.6
125.05987	2.0
127.03888	4.6
137.09596	100.0
138.09900	1.5
145.04869	0.6
155.10649	6.3
165.09097	66.7
166.09431	1.4
183.10143	3.9
183.13846	1.9
192.45253	0.5
201.11176	4.2
233.92848	0.6
262.47623	0.6
309.13388	3.1
313.10678	1.5
315.08414	0.9
317.10016	0.5
327.14386	3.5
345.06631	0.7
345.13547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.154
Annotation	8-Epiiridotrial glucoside
Peak:m/z	Relative Intensity
51.15955	1.0
53.03937	2.4
55.01857	2.3
55.05495	3.6
57.03412	2.8
67.05497	27.6
69.03428	10.6
69.07066	3.3
71.04976	3.4
71.74759	1.8
73.02921	1.3
79.05473	3.8
81.03412	20.8
81.07049	14.2
82.07331	1.3
85.02892	10.4
91.05466	3.7
93.07025	4.3
95.04925	3.3
95.08594	11.0
97.02871	5.0
97.06506	3.5
99.04430	4.3
105.07043	1.6
107.08571	3.1
109.01591	1.0
109.02875	9.8
109.06493	2.3
109.10146	45.7
115.05421	1.0
119.08568	3.7
121.06407	1.2
121.10112	2.0
125.05981	2.1
127.03873	5.5
128.06219	3.0
133.10228	1.3
137.05998	1.7
137.09601	100.0
138.09932	2.4
143.08548	2.8
145.04890	1.4
145.10147	1.2
147.08023	1.9
155.10638	7.7
156.59413	1.2
163.11229	1.1
165.09099	58.4
166.09477	2.1
171.08031	10.3
172.08591	1.0
183.10144	4.9
184.05177	3.6
184.08986	1.0
189.09050	1.6
199.07552	15.7
201.11250	5.1
213.12718	2.7
217.08653	1.3
230.89664	1.2
241.12160	8.7
259.13297	5.6
302.17474	5.4
309.13504	2.0
327.14478	6.1
345.09213	1.5
345.13480	2.7
346.20193	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.154
Annotation	Taxuside
Peak:m/z	Relative Intensity
53.03933	3.9
55.05501	4.7
56.44911	1.6
57.03421	3.3
67.05498	29.2
68.93243	1.6
69.03435	9.4
69.07043	4.7
71.04977	5.2
71.74689	2.5
79.05476	4.7
81.03411	26.6
81.07047	19.5
82.66938	1.6
83.04990	1.8
85.02887	11.9
91.05461	4.7
93.07034	6.5
94.28979	1.7
95.04943	5.7
95.08594	9.5
97.02874	5.2
97.06506	3.7
99.04437	3.8
105.06993	3.1
107.08553	4.9
109.02880	11.8
109.06503	2.2
109.10144	56.9
119.08565	7.0
121.10114	2.2
125.05897	2.8
127.03883	11.3
127.07575	2.0
128.06261	3.2
137.09596	100.0
143.08559	3.7
145.10071	1.9
147.08047	1.9
155.10646	8.9
159.07999	2.6
165.07693	3.5
165.09085	68.4
171.08009	12.2
183.10213	4.6
184.05116	2.2
185.09639	2.0
199.07516	20.0
201.11189	5.9
213.12656	3.6
241.05313	3.9
241.12224	13.4
250.86124	1.6
259.13251	6.5
302.17331	2.5
310.30862	1.6
327.14471	7.1
345.09079	1.8
345.13483	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.05505	17.8
57.03408	0.9
58.99572	5.5
61.01136	0.7
67.05502	4.4
68.05006	1.6
69.03403	1.7
69.07052	0.8
69.09972	0.7
71.04974	0.7
71.74706	0.8
72.08124	1.0
76.03999	1.7
79.05470	1.2
80.04574	1.1
80.05006	14.7
81.03394	3.2
81.07054	3.0
83.08607	10.4
84.04497	3.6
85.02905	1.0
86.06052	2.0
86.09689	1.2
86.99029	2.9
91.05457	1.5
93.07018	1.4
95.04950	0.8
95.08595	2.6
96.04489	2.3
97.01053	0.8
97.02879	1.3
99.04538	1.1
103.05456	0.9
105.07025	2.0
107.08566	1.4
108.04505	3.3
109.02834	1.5
109.10149	6.9
114.03736	13.8
116.01672	11.6
116.27384	0.6
119.08586	0.9
122.03627	0.7
127.03888	1.9
127.05803	0.7
129.07115	0.8
133.06468	0.7
136.03900	2.5
137.05986	6.1
137.09595	11.4
138.05486	0.7
139.05728	1.4
142.03203	100.0
143.03539	1.5
144.01123	6.0
148.79979	0.7
153.05479	0.8
155.10683	1.0
159.08372	13.4
162.02173	14.7
163.07523	1.1
165.09088	6.2
167.05278	1.0
170.02693	33.4
189.09090	0.9
199.05345	5.6
211.07297	0.9
219.18906	0.7
227.04868	5.3
242.12080	2.3
245.05923	16.7
262.11075	3.9
270.11588	1.6
327.14157	0.9
328.05228	1.5
345.13498	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88804	16.7
57.03458	16.2
59.27791	18.2
61.02911	26.7
64.86880	16.6
69.03417	36.3
70.06571	39.4
70.96430	50.1
72.08152	50.3
73.02911	19.1
84.08124	24.8
85.02891	100.0
97.02899	42.2
101.00880	21.3
112.89594	83.3
114.89342	47.3
119.99380	19.8
122.07172	22.3
127.03903	25.6
155.01903	19.6
158.56076	18.2
173.02963	48.5
183.05020	56.6
185.02972	24.3
195.47960	17.3
202.89090	67.9
211.50449	15.4
219.02022	22.5
221.05063	17.6
243.02013	17.7
245.05115	72.3
258.85724	20.0
261.02982	25.1
284.83606	55.4
345.10226	30.3
345.22528	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80071	1.9
61.02903	4.9
69.03417	6.0
70.63418	5.4
73.02901	2.6
73.44154	1.8
85.02884	7.9
97.02864	5.7
119.01904	4.6
127.03883	3.6
134.99742	2.0
137.03001	2.3
143.01947	3.3
155.01782	5.0
157.03438	4.1
158.97159	2.6
173.02916	7.6
177.00908	19.2
183.05064	3.0
185.03023	4.7
200.98315	6.6
201.00911	18.3
205.00406	6.3
206.97102	2.1
214.25211	2.0
214.96498	20.7
215.02458	4.0
219.01982	64.6
220.02179	3.2
227.02461	38.9
227.04649	2.1
228.02638	3.3
238.96574	2.6
239.02371	2.6
241.04034	6.5
242.99446	2.8
243.01945	6.0
245.03192	9.7
250.04050	2.5
255.02077	4.1
255.07181	3.5
256.97565	90.3
257.97632	8.8
261.03030	6.0
267.02029	18.5
269.98889	2.1
270.98685	2.8
273.02914	2.8
277.92191	2.0
279.99042	2.0
280.97577	7.0
285.03058	20.4
286.03644	2.4
297.92960	2.9
298.98593	95.9
299.98654	8.9
303.04092	100.0
304.04218	6.4
305.07019	2.4
314.96265	3.0
320.95703	2.5
321.05109	22.7
322.00021	6.2
326.05643	5.9
338.96594	5.8
339.06201	34.5
339.93921	3.1
351.00168	2.1
356.97476	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0965
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05519	0.7
57.07087	0.5
67.05503	1.4
69.03428	0.6
69.07063	0.4
69.95297	2.0
70.06599	0.4
71.01356	0.4
79.05513	0.5
81.03411	1.2
81.07058	1.4
85.02899	0.6
91.05497	0.5
93.07035	0.7
95.04948	0.6
95.08580	0.3
96.55443	0.3
97.06499	2.0
105.07031	0.4
105.59716	0.3
107.04953	0.5
107.08548	0.4
109.10145	1.9
114.43183	0.3
119.08559	0.8
121.06474	0.4
123.04450	0.9
125.09603	0.4
127.03874	0.4
128.06200	0.4
135.04420	0.9
137.09598	3.0
153.01790	2.6
160.05243	0.4
161.02365	0.5
163.03876	2.3
165.09128	2.0
167.07039	0.9
170.02180	0.5
176.04620	0.4
177.05501	0.4
178.02657	0.8
178.06224	6.8
182.51535	0.4
183.02980	0.4
191.07059	0.5
201.57799	0.4
202.10451	0.3
203.03484	0.4
204.04198	0.5
211.01823	0.3
211.03888	0.6
213.05507	0.4
216.04161	5.0
217.04945	1.2
227.03397	1.7
228.04192	0.6
229.04938	0.5
231.02965	0.6
231.06577	2.9
241.04971	1.5
243.06448	1.5
244.03688	2.6
245.04401	0.4
255.02855	14.4
256.03494	0.5
259.05994	4.4
269.04398	3.7
271.06104	0.5
272.03128	1.3
281.04367	0.8
283.02356	2.7
283.05960	1.1
284.03088	1.0
284.06525	0.7
285.03979	0.8
287.05472	12.3
297.03964	2.8
298.04504	0.6
299.05447	1.3
300.02655	5.7
301.06998	0.8
311.05371	0.7
312.06268	1.4
313.07050	1.2
315.04950	63.8
316.05246	1.4
329.06464	1.6
330.07309	18.4
331.07922	0.6
345.09644	100.0
346.09979	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22911	0.7
55.05504	0.7
57.03428	0.7
61.02903	1.4
69.03413	3.9
70.06570	1.6
70.92139	2.0
77.04892	0.8
79.96419	0.7
81.03401	1.7
84.08137	0.9
85.02890	16.6
86.09691	1.7
91.05463	4.4
97.02882	3.6
99.04433	0.8
109.02876	1.7
116.07068	1.1
119.04926	15.1
123.04417	2.3
127.03889	3.3
145.04941	2.7
147.04388	100.0
148.04723	2.5
165.05464	61.0
166.05853	1.6
180.08684	1.6
182.08009	0.9
185.17191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16516	0.4
55.01840	0.8
57.03414	1.2
58.04710	0.4
61.02906	1.8
65.03945	0.5
69.03423	3.0
69.96088	1.8
69.96504	0.8
70.06576	1.6
71.04973	0.6
72.08128	0.6
73.02909	1.0
78.52484	0.4
81.03397	2.0
84.08109	0.8
85.02379	0.8
85.02896	16.9
85.37919	0.4
86.09679	1.3
91.03945	0.9
91.05454	5.2
97.02888	4.2
98.20737	0.9
98.97536	0.5
99.04410	0.5
103.33790	0.5
107.04929	0.4
108.41068	0.4
109.02842	1.2
116.07067	0.9
117.72351	0.4
119.04929	20.5
123.04398	1.8
127.03904	2.3
129.10185	0.5
145.04933	3.5
147.04390	100.0
148.04770	2.8
165.05464	47.2
166.05846	1.0
180.08662	1.4
182.08049	0.7
344.13336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.7
57.03435	8.3
66.66442	5.3
67.05492	30.3
69.03407	7.7
69.07067	26.9
70.06563	8.7
70.29622	20.1
71.05007	7.4
73.63471	4.1
77.64030	4.9
79.05488	31.1
81.03418	11.8
81.07047	19.6
83.04974	7.2
85.91605	4.7
86.06071	9.8
91.05467	16.6
91.46654	4.7
93.07020	20.1
95.04956	20.9
95.08612	12.0
97.06519	100.0
101.25218	6.8
105.07001	13.5
105.46745	4.9
107.08604	10.6
109.06506	8.9
109.10180	7.3
115.07571	15.5
116.10722	17.9
119.08569	13.4
121.06485	5.3
129.07027	7.2
131.08598	5.3
133.10085	8.7
135.08057	7.8
151.07541	6.9
155.54817	5.2
177.12720	6.6
195.11714	5.3
197.58066	4.8
330.03613	5.8
337.47992	5.1
344.24234	17.9
345.17078	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.05489	4.3
57.07063	2.1
65.03917	1.4
67.05504	6.7
69.03393	1.9
69.07066	10.4
69.66592	1.2
70.13491	4.8
71.04993	3.1
72.59668	1.1
79.05486	8.2
81.03387	3.5
81.07050	23.2
83.04945	1.5
83.08595	4.4
85.02865	2.4
85.06492	1.7
91.05450	6.8
93.07041	14.1
95.04939	3.9
95.08598	16.7
97.06509	6.1
97.10112	2.7
105.06994	6.3
107.08578	8.8
107.12225	1.3
109.02898	1.6
109.06527	1.3
109.10156	9.9
111.08036	1.6
119.08549	4.5
121.10159	6.4
123.08057	1.4
123.11713	6.8
131.08531	1.6
133.10104	3.7
135.08014	4.6
135.11664	4.8
137.05917	3.0
137.09581	2.2
137.13235	2.9
145.10107	1.8
147.11655	3.2
149.02335	1.8
149.13234	2.5
151.03891	3.7
151.11214	1.5
151.50739	1.1
159.11769	1.5
161.13239	2.2
163.07553	1.4
163.11101	2.1
166.02008	1.5
167.03387	5.0
175.03947	1.3
175.07372	1.4
177.16335	1.7
187.45982	1.3
188.17545	1.2
195.02884	2.7
195.08160	1.3
207.06506	3.5
214.18008	1.8
219.43814	1.3
243.06563	6.0
254.05666	2.3
271.05972	7.3
282.05200	8.3
283.05954	1.9
297.07489	7.8
299.05392	2.3
300.06229	12.3
310.04745	3.8
313.06989	3.1
314.07788	7.1
315.08444	2.1
325.06857	2.0
328.05688	26.8
329.06137	2.8
343.08096	100.0
344.08444	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.8
55.05511	41.8
56.39078	4.7
57.03414	8.7
57.07079	4.8
58.56577	4.9
58.91346	5.7
67.05502	39.4
69.03423	6.2
69.07059	17.4
69.55244	9.6
69.55654	35.5
71.04977	14.9
79.05489	27.2
81.03415	5.1
81.07046	42.8
83.04948	11.7
83.08591	20.1
85.06522	9.1
87.29146	4.5
88.48862	4.8
91.05464	42.1
93.07037	75.9
94.07815	10.7
94.44166	5.4
95.04964	100.0
95.08601	77.3
97.06526	5.8
97.35912	4.3
100.65541	4.7
101.63643	4.5
105.07019	82.4
107.04957	4.7
107.08588	52.1
109.06509	38.7
109.10133	22.3
115.05453	6.5
117.06994	19.4
119.08571	27.7
121.06492	16.2
121.10130	27.0
123.08051	27.9
129.07021	8.6
130.07759	7.8
131.08549	6.4
133.10106	21.0
135.08032	15.2
135.11705	24.3
137.09593	18.5
139.07466	6.7
142.07703	8.6
143.08531	13.4
145.10136	37.8
147.08025	7.0
147.11678	12.6
151.07562	8.5
157.10117	10.1
159.11734	8.5
161.09573	7.1
163.11186	22.8
165.12762	27.3
169.10106	5.0
171.11632	5.7
181.12218	5.1
188.83434	5.4
191.14420	7.7
240.23201	6.4
284.26578	8.6
343.22586	25.3
343.37515	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
55.01863	5.0
55.05507	20.0
56.93155	1.8
57.03429	9.3
57.07064	10.1
59.04993	4.8
63.58842	2.2
65.03928	2.8
66.97639	1.8
67.05500	30.0
69.03424	14.3
69.07056	8.8
70.87788	5.6
71.04984	24.6
73.95325	1.8
77.03909	2.1
79.05479	32.6
81.03393	4.1
81.06593	2.8
81.07046	33.9
83.04963	6.6
85.06534	6.4
91.05467	40.1
93.07034	79.3
95.04957	68.4
95.08596	100.0
96.08916	3.0
97.06527	18.1
103.05437	3.3
105.07018	95.8
107.04938	4.0
107.07898	3.6
107.08584	57.3
109.06514	21.1
109.10115	4.2
111.08050	2.7
115.05422	4.9
117.06996	32.6
119.08577	33.0
121.06493	17.2
121.10118	21.9
123.07162	1.5
123.08041	34.6
123.11650	2.7
125.05882	2.5
128.06168	4.8
129.06990	5.6
130.07777	19.8
131.08566	11.3
133.06494	7.0
133.10114	17.4
135.08037	31.3
135.11674	21.0
137.05962	3.3
137.09586	6.3
141.06970	3.0
142.07729	3.8
143.08519	11.6
145.06450	2.1
145.08957	4.5
145.10110	93.5
147.07996	15.5
147.11641	4.5
149.09610	8.4
151.07529	48.4
153.09068	4.9
155.08575	3.5
156.09387	2.2
157.10110	8.4
157.17255	1.9
159.08018	4.7
159.11665	5.7
161.09572	7.4
161.13248	4.5
163.11163	72.4
165.06920	2.5
165.09094	24.1
169.10088	3.9
171.11678	6.0
173.09619	4.1
173.13367	2.4
175.11224	4.2
177.09070	6.6
179.07030	5.5
181.10107	3.1
185.13252	3.7
187.11177	4.1
189.12737	12.1
189.55632	2.0
191.10614	2.9
191.14270	3.4
197.13293	5.0
199.14819	2.5
200.35538	1.9
203.14302	12.7
206.10786	2.5
207.10107	5.0
207.11934	2.2
207.13765	7.1
209.13252	3.9
209.15115	3.6
213.12619	2.3
215.14371	3.8
217.12270	3.8
221.13202	3.9
221.15309	34.1
223.14731	2.4
227.14372	3.6
233.15326	2.0
241.15897	3.2
243.13757	2.6
263.16388	7.6
269.15427	4.2
274.19296	2.7
286.19299	5.0
287.16330	3.6
325.21628	9.8
343.22647	91.9
344.23016	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.93123	1.7
53.03930	4.2
53.81972	2.0
55.01846	7.7
55.05502	20.5
57.03421	11.6
57.07062	11.8
59.04976	7.4
65.86254	2.4
67.05496	30.8
69.03433	12.3
69.07044	8.6
69.53944	2.0
71.04986	24.7
79.05483	25.0
81.03400	3.4
81.07041	40.8
83.04956	6.1
83.08587	2.8
85.06511	2.4
91.05466	42.4
93.07031	89.3
95.04951	62.8
95.08595	100.0
96.08933	2.9
97.06506	18.8
103.05421	2.6
105.07018	90.6
107.04922	3.4
107.08576	58.6
108.05750	2.9
108.08851	2.4
109.06495	21.7
109.10133	5.2
111.08077	2.0
115.05446	8.8
117.07005	36.0
119.08575	33.5
121.06495	18.3
121.10139	21.8
123.08051	28.9
128.06204	4.8
129.07024	6.2
130.07788	23.8
131.08533	8.5
133.06487	6.2
133.10118	20.6
135.08041	26.4
135.11700	18.2
137.05948	4.4
137.09634	5.4
142.07765	5.0
143.08536	12.2
144.09259	3.3
145.10100	99.1
146.10426	3.5
147.08025	17.8
147.11636	5.3
149.09573	4.9
149.13261	2.1
151.07521	63.3
153.09106	5.1
155.08559	4.1
157.10054	10.6
159.08018	6.1
159.11670	12.4
161.09639	10.6
161.13278	5.1
163.11166	81.5
164.11418	2.7
165.09097	24.2
169.10107	3.7
171.11647	6.4
173.09590	7.4
173.13283	6.5
175.11218	5.2
177.09058	6.0
179.07019	7.0
181.10185	3.5
181.12164	4.0
185.09547	2.9
185.13286	2.3
187.11163	5.6
189.12653	13.9
191.14227	4.3
195.11592	3.4
197.13213	4.9
199.11095	4.3
201.12746	2.4
202.13263	2.2
203.14308	12.9
207.10094	2.8
207.13678	9.9
209.13376	3.8
209.15369	7.0
210.19212	2.2
211.14752	3.5
215.14302	3.5
217.12265	2.8
221.15363	38.9
223.14822	3.5
225.12895	2.3
241.15822	3.4
243.13835	3.3
245.15312	2.7
263.16208	10.7
269.15353	6.4
283.20770	2.6
286.19168	8.9
287.16504	3.6
287.19913	3.4
307.20544	3.5
325.21594	12.0
343.22650	93.0
344.23065	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03917	5.4
55.01851	7.4
55.05502	14.8
57.03414	9.6
57.07055	11.4
59.04982	6.1
67.05505	26.0
69.03421	9.4
69.07031	6.8
71.04995	22.7
71.19939	9.0
79.05482	29.5
81.03401	4.5
81.06665	3.1
81.07047	35.7
83.04964	7.0
84.56670	2.8
85.06512	5.0
91.05473	41.8
93.07035	76.9
95.04436	1.7
95.04951	63.6
95.08591	91.1
97.06532	15.7
105.07017	94.3
107.04925	5.3
107.08582	60.1
108.05732	3.0
109.06521	18.5
109.10141	6.3
115.05435	6.7
117.07003	35.4
119.08570	31.2
121.06484	13.9
121.10143	17.5
123.08063	34.8
123.11732	3.7
125.05956	4.3
128.06163	3.9
129.06975	9.7
130.07802	24.1
131.08568	6.8
133.06488	5.1
133.10100	19.0
135.08041	30.3
135.11685	18.4
137.05977	4.6
137.09569	7.7
142.07722	5.1
143.08490	14.6
145.06491	2.9
145.10106	100.0
145.72345	3.0
147.08034	18.9
147.11629	4.0
147.63814	2.8
149.09584	7.1
151.07524	61.4
155.08470	3.3
157.10077	10.2
159.07954	3.8
159.11656	8.2
161.09610	8.7
161.13277	5.2
163.11160	64.7
163.24095	2.8
165.07037	2.8
165.09113	22.4
169.10129	6.8
171.11699	5.0
173.13219	4.5
175.11194	3.3
177.09079	9.4
179.07002	7.0
181.12186	3.2
183.11694	3.4
185.13243	5.7
187.11185	9.0
189.12743	10.3
191.10626	4.5
191.14272	4.0
195.11760	2.9
196.61781	2.7
197.13297	5.2
203.14307	13.0
207.13832	7.8
209.13376	4.0
209.15237	6.5
215.14191	3.2
221.15329	30.9
227.14345	3.5
233.15262	6.7
263.16360	7.4
265.15485	3.3
269.15561	4.1
286.19376	3.7
325.21555	10.0
339.29187	3.4
343.22653	97.9
344.22882	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03922	6.4
53.27285	2.2
55.01854	7.6
55.05501	19.4
57.03421	11.4
57.07073	10.1
59.04985	5.9
67.05495	29.0
69.03423	12.8
69.07046	7.5
70.11176	11.2
71.04979	21.7
79.05471	27.1
81.03378	2.7
81.07042	33.8
83.04964	5.6
83.08597	4.1
83.37096	1.9
85.06525	3.9
91.05466	37.8
93.06432	3.0
93.07030	76.3
95.04954	65.2
95.08595	89.1
96.08957	2.4
96.72005	1.9
97.06520	18.3
103.05434	4.4
105.07017	92.1
106.07280	2.0
107.04960	4.5
107.08583	64.8
107.41018	2.1
109.06502	21.0
109.10139	7.7
111.08118	2.5
115.05435	6.0
117.07003	37.4
119.08562	30.7
121.06475	19.6
121.10126	18.8
122.07309	3.1
123.08057	32.2
125.05994	2.9
125.09598	3.0
128.06140	3.4
129.07001	6.2
130.07779	20.2
131.08575	9.6
133.06451	5.0
133.10120	22.8
135.08035	27.3
135.11678	17.3
137.05917	3.9
137.09581	8.8
142.07719	4.8
143.08539	12.1
144.09325	2.6
145.06461	3.8
145.10101	100.0
146.10463	3.5
147.08022	16.1
147.11627	4.0
149.09605	7.8
151.07516	62.4
152.07909	2.7
153.09116	4.7
157.10078	12.6
159.08025	3.6
159.11665	12.0
159.70677	2.1
161.09564	10.1
161.13235	4.2
163.07626	2.8
163.11160	75.5
165.09082	23.4
169.10117	4.8
171.11682	5.9
173.09593	5.8
173.13232	3.6
174.10245	3.5
175.11197	4.7
177.09114	6.7
179.07027	4.6
181.10017	3.1
183.11536	2.4
185.09515	2.3
185.13226	3.8
187.11189	5.6
189.12708	12.1
191.10649	2.7
191.14273	4.3
195.11710	4.2
197.13277	5.5
199.11154	3.1
200.11749	2.3
201.12541	4.3
203.14288	12.5
207.11867	3.9
207.13783	10.2
209.13301	4.4
209.15352	6.4
213.12758	3.5
215.14230	4.5
217.12216	5.6
221.15329	36.5
223.14833	4.5
233.15361	3.8
241.15944	3.4
243.13860	3.1
245.15308	2.7
263.16406	6.4
269.15375	3.6
286.19208	6.7
287.16434	3.1
287.19864	3.2
325.21628	14.5
343.22635	97.0
344.22879	6.8
347.26761	2.1
348.42752	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.0
57.06796	5.0
57.07072	100.0
67.05497	4.8
69.03406	2.8
69.07040	4.5
71.75040	2.6
71.75504	3.9
79.05478	6.9
81.03400	2.2
81.07058	5.5
85.06533	8.5
85.10183	29.0
89.03900	6.3
91.05458	10.5
93.07021	5.4
95.04973	3.2
95.08587	10.6
103.05499	5.1
105.07014	6.3
109.06533	2.7
109.10115	3.1
113.09632	31.5
115.05448	10.6
117.07005	6.8
119.08531	5.3
128.06212	19.8
129.06978	16.7
130.07741	2.3
131.08508	4.1
137.05783	2.1
141.06946	5.5
142.07806	2.9
143.08559	6.5
145.06462	3.7
145.10129	5.8
146.34554	2.3
155.08524	2.7
163.11143	3.2
166.68947	2.2
167.08604	2.3
169.10193	2.8
169.27696	2.8
171.08025	5.8
171.11725	2.8
180.76892	2.6
185.09584	5.3
225.50616	2.5
241.15874	17.4
258.71497	2.5
277.90927	2.4
283.20511	5.5
284.26611	5.7
343.22745	10.7
343.37640	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03932	8.3
55.01863	7.0
55.05509	23.2
57.03420	8.3
57.07054	9.5
65.03935	5.0
67.05501	36.4
69.03419	11.7
69.07058	17.4
70.10642	17.3
70.11053	7.0
71.04980	19.4
79.05486	29.2
81.03403	4.3
81.07047	39.2
83.04967	9.8
83.08587	4.7
85.06522	4.3
91.05468	44.5
93.07035	83.4
95.04949	54.7
95.08590	83.8
97.06520	22.8
103.05481	5.1
105.07024	100.0
107.08593	64.2
109.06495	26.0
109.10138	10.8
115.05446	10.2
117.07001	39.6
119.04910	4.8
119.08587	30.6
121.06469	17.4
121.10130	38.7
123.08060	28.8
123.11646	5.4
128.06157	6.0
129.07008	12.5
130.07759	21.9
131.08546	14.1
133.06487	6.9
133.10115	19.1
135.08009	31.2
135.11713	14.9
135.24850	4.0
137.06010	6.2
137.09560	8.1
142.07750	5.4
143.08562	23.0
145.10095	79.5
147.08020	17.5
147.11713	7.3
149.09601	6.8
151.07495	48.9
155.08478	6.3
156.09360	4.9
157.10153	16.2
159.08026	5.0
159.11676	12.0
161.09608	10.2
161.13182	4.4
163.11156	58.4
165.09137	19.6
169.10168	4.5
171.11626	4.9
173.09515	7.8
173.13246	8.8
175.11230	9.2
177.09239	5.9
183.11664	5.7
185.13222	6.0
187.11201	8.8
189.12733	11.4
191.14328	11.4
195.11681	4.9
197.13300	6.2
199.11124	5.9
201.12753	4.7
203.14311	17.0
207.13788	10.7
209.13232	6.0
215.14130	4.4
217.12230	7.7
221.15375	41.0
233.15309	5.7
239.51563	4.1
240.23216	14.4
259.17654	4.2
263.16409	10.2
286.19305	5.8
311.05533	6.9
325.21689	12.9
343.18869	7.5
343.22531	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
54.84636	1.0
55.01860	4.4
55.05503	2.9
57.03429	8.6
57.07059	1.4
59.74240	1.2
61.02925	13.8
61.44760	0.9
61.92320	1.1
67.05494	2.6
67.74996	1.1
69.03422	32.4
69.07047	1.5
69.59491	0.9
70.06590	1.9
70.89780	1.3
70.90102	1.8
71.04984	7.3
73.02903	5.0
79.05479	4.6
81.03409	16.9
81.07053	7.8
82.61818	1.1
83.01308	1.8
83.04972	3.2
84.08118	2.0
84.22347	1.0
85.02897	100.0
85.06532	4.5
86.03226	2.4
86.09685	3.2
87.04453	6.1
91.03944	6.5
91.05472	4.8
93.07034	13.6
95.04959	32.3
95.08605	10.6
97.02881	35.5
97.06506	2.2
99.04440	6.4
103.03917	1.2
103.05463	1.4
105.07018	11.3
107.08588	10.6
109.02866	8.8
109.06512	22.4
109.10178	2.6
116.07036	1.1
117.07009	3.0
119.08580	7.4
121.06503	9.1
121.10131	10.6
123.08080	6.4
123.11745	1.2
125.05967	2.5
127.03896	20.4
129.07024	1.0
130.07788	2.4
133.10033	2.4
135.08081	1.4
135.11668	10.8
137.05966	3.1
137.09624	3.7
137.13242	3.2
143.08501	1.3
145.04938	21.9
145.10106	13.4
147.11649	11.5
151.11189	2.2
153.12683	1.2
162.42186	1.0
163.11166	59.6
164.11505	2.4
165.12735	9.8
175.11223	2.3
179.10542	1.0
181.12213	78.0
182.12608	1.4
193.12350	1.2
205.12268	3.7
223.13289	7.6
267.78583	1.0
267.83276	1.0
270.38940	1.2
293.07977	1.1
297.11313	1.9
307.15427	2.3
343.17456	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01854	2.3
55.05488	2.2
57.03421	4.0
57.07079	1.6
57.59138	0.9
60.60938	1.0
61.02903	4.6
67.05495	2.1
69.03426	13.9
69.07047	1.5
70.06589	0.9
71.04975	1.7
71.31844	2.3
73.02898	3.3
79.05457	3.0
80.34116	0.9
81.03428	7.2
81.07038	7.8
83.01340	1.0
83.04974	6.1
84.08148	1.0
85.02896	32.3
86.09697	1.2
87.04443	1.8
91.03912	2.3
91.05463	4.2
93.07029	7.6
95.04969	15.7
95.08612	2.0
97.02882	10.8
97.06506	3.4
99.04441	3.0
105.06998	8.5
107.04936	3.5
107.08575	12.1
109.02876	3.3
109.06499	3.0
112.53357	1.0
117.07007	2.8
119.08552	4.8
121.06488	4.5
121.10143	13.4
123.08046	1.7
125.05972	11.7
127.03896	9.3
130.07764	4.1
133.06473	1.2
133.10120	1.3
135.11662	8.0
137.05960	3.4
143.08575	1.6
145.04932	6.9
145.10118	18.6
146.77405	1.1
147.08067	1.8
149.06013	1.0
163.11168	100.0
164.11540	3.3
175.11171	2.0
181.12216	21.5
205.12125	1.3
210.25235	1.0
211.94031	1.0
223.13458	1.2
225.80739	1.2
233.69138	1.1
265.08713	1.5
307.15283	1.6
325.16370	1.7
343.13614	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1173
Annotation	porphyrin-5,15-diol
Peak:m/z	Relative Intensity
55.05499	1.2
56.96561	1.1
57.03431	1.2
59.88538	0.9
67.05496	2.6
69.07045	1.9
70.60023	1.1
71.04986	1.1
71.74590	1.2
76.38295	0.9
76.46056	1.0
79.05480	4.2
81.07047	3.4
91.05471	1.8
91.68159	0.9
93.07031	2.6
94.62650	1.1
95.04963	3.1
95.08585	2.4
97.06525	6.0
103.05476	1.6
105.07030	6.2
107.04930	1.7
107.08594	1.6
107.26732	1.0
109.06551	1.2
114.68279	1.0
118.04139	1.7
119.08524	2.8
121.06496	4.0
121.10077	1.3
123.04391	1.2
133.06491	5.4
133.10126	1.4
135.08113	1.9
137.05969	2.0
143.08554	2.5
145.10184	2.3
150.06808	1.3
151.03896	4.0
152.06384	1.1
152.63893	1.0
157.10089	1.5
161.05930	1.5
162.06720	1.4
163.03867	2.0
163.11165	1.8
165.09109	13.2
169.74088	1.1
178.02664	1.5
178.06230	3.6
183.04701	1.0
183.08040	1.4
188.04121	1.0
193.08586	3.2
201.05469	1.0
201.09027	1.1
214.06271	5.3
225.05412	1.4
226.06253	2.0
229.08847	1.1
239.03291	1.1
239.07002	2.7
241.08585	1.1
242.05606	5.6
253.04953	14.1
254.05507	1.1
257.08054	6.0
267.02841	4.0
267.06458	3.9
270.01569	11.0
270.04593	2.1
271.10751	1.4
279.06345	1.1
281.04443	4.2
282.05234	7.6
285.03906	12.5
285.07556	14.9
289.03098	1.0
295.02435	5.0
295.06039	4.0
297.07516	1.9
298.01611	1.8
298.04626	7.5
299.10208	3.5
309.04160	1.5
310.04605	4.7
310.08212	1.9
311.09113	1.4
313.03378	40.0
313.07047	69.3
314.03687	2.1
314.07346	3.4
328.05661	10.1
328.09390	20.1
343.08002	43.7
343.11795	100.0
343.22675	2.3
344.08484	2.4
344.12189	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64370	0.5
54.20277	0.6
55.05507	2.8
57.07069	21.0
58.06594	1.3
60.08144	1.1
62.06084	3.4
67.05489	3.6
69.07070	4.0
69.19437	0.6
70.75562	1.9
71.08240	0.9
71.08622	13.0
72.08134	0.7
73.02904	2.2
73.33360	0.6
79.05479	1.6
81.07039	4.1
83.08599	3.7
85.10171	5.2
93.07033	1.2
95.08595	5.0
97.10145	2.3
99.04489	0.6
105.07023	0.8
107.07289	0.8
107.08546	1.0
109.10126	1.2
111.11702	0.7
115.26154	0.6
117.05772	0.6
118.06518	2.7
123.11730	0.7
130.06503	0.9
133.10104	0.8
144.04474	1.3
144.08083	1.0
155.07227	0.6
156.17480	1.4
168.08136	1.2
172.07541	1.4
174.18536	4.2
179.29419	0.5
186.09102	0.9
198.09097	0.8
198.94351	0.6
212.23639	1.4
214.08533	2.8
230.24837	4.1
282.18423	3.9
283.26285	100.0
284.26761	3.0
293.65033	0.7
300.19501	2.1
342.20663	9.0
342.33530	36.9
342.37286	82.2
343.33899	2.1
343.37643	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85962	1.1
56.96550	1.8
68.25472	1.3
71.30237	3.0
80.64339	1.5
85.92500	1.2
98.97575	6.6
112.96258	1.1
116.98586	5.5
119.01905	3.1
121.48354	1.1
134.99617	3.7
177.00916	13.1
178.00989	3.2
179.00659	2.7
180.94304	1.3
183.06201	2.5
201.00873	1.1
201.07169	3.9
207.47722	1.3
216.98817	3.4
218.03563	3.5
218.98419	2.1
219.01990	19.8
220.02129	2.4
220.29807	1.3
221.01709	6.4
225.00732	1.5
234.99875	14.8
236.00015	1.6
236.99556	5.1
240.98862	2.7
242.03458	2.0
243.01978	1.4
252.97565	2.0
253.01022	1.9
254.69846	1.3
258.99960	26.3
259.02615	1.5
260.00177	4.7
260.04660	3.0
261.00113	2.7
261.02969	19.3
262.03040	2.1
263.02917	2.6
264.99017	3.8
276.97678	4.2
277.00980	30.0
278.00946	3.7
279.00778	5.0
280.00809	1.7
282.99954	60.8
283.06210	5.2
284.00153	6.4
284.99817	5.0
285.99863	2.2
300.02539	2.1
300.97940	4.3
301.01010	100.0
302.01141	13.4
303.00864	9.0
304.00970	4.2
318.98590	11.4
319.02057	5.4
320.02115	1.6
324.02640	5.8
325.00800	10.4
342.98712	2.4
343.02054	57.2
343.08597	3.4
344.02213	8.1
360.99570	5.0
361.03525	15.0
362.03198	1.7
366.03714	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82594	3.3
55.01866	8.2
55.05272	3.8
55.05508	52.5
57.03432	6.8
59.05007	3.5
60.04507	7.1
66.36043	2.9
67.05499	33.9
69.03419	11.4
69.07072	22.1
71.04992	3.9
73.02912	6.0
79.05482	43.2
81.07046	28.4
83.04961	7.5
83.08600	27.6
88.07636	7.9
90.47100	3.3
91.05469	32.0
93.07027	39.5
95.04945	21.6
95.08578	42.6
97.06501	13.4
97.10156	68.5
105.07011	45.7
107.04915	5.8
107.08582	100.0
109.06494	10.9
109.10151	6.9
111.08034	5.2
116.98337	5.0
117.07011	18.7
119.08563	18.0
119.57941	3.7
121.06478	9.9
121.10129	14.2
123.08057	12.9
125.09618	69.5
129.06955	4.2
130.07787	5.4
131.08539	8.8
133.10059	17.8
135.08018	21.5
135.11655	8.6
137.09558	4.9
142.96204	10.8
143.08545	7.3
145.10129	37.0
146.10533	3.1
147.08076	6.2
147.11681	9.6
149.09636	6.5
151.07539	18.0
153.09114	19.0
157.12204	7.4
159.11638	7.0
163.11133	24.5
165.09119	12.5
167.10655	4.6
171.10329	3.2
175.11142	5.5
177.09138	4.4
177.12602	3.3
195.81003	3.4
203.12749	81.6
212.31813	3.1
221.15341	15.9
239.17822	4.4
247.20566	3.2
257.18967	9.9
275.19998	32.3
289.21591	8.5
298.34717	3.5
307.22644	5.8
325.21573	5.9
342.22400	6.8
342.29974	3.4
343.14084	30.4
343.18759	5.5
343.22531	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14759	11.0
55.05494	24.8
57.02940	8.4
61.03820	8.6
67.05505	48.4
69.07047	35.7
71.75253	16.1
74.10561	9.2
79.05479	42.1
81.07050	100.0
82.25954	8.8
82.42548	8.9
83.08572	10.5
86.68300	8.1
91.05447	47.3
93.07038	69.6
95.04932	30.0
95.08581	43.1
97.06498	23.0
99.76896	9.0
105.06995	57.5
107.08573	39.3
109.06516	12.2
109.10146	12.9
117.06993	20.3
119.08583	50.7
121.06462	14.2
121.10139	22.8
131.08549	17.3
133.10123	22.7
135.11670	22.5
139.98187	9.8
143.08478	11.0
145.10104	31.0
147.11670	17.8
157.10120	16.3
159.11674	19.1
161.09494	9.7
163.11185	19.4
170.20454	10.0
177.45222	10.0
181.12247	14.4
221.52446	9.1
275.19843	21.8
283.20575	11.3
343.22726	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01842	0.5
55.05503	7.4
56.05017	0.4
56.96555	2.7
57.03434	0.8
58.06578	0.4
59.04991	0.8
61.02902	1.4
62.06070	1.1
65.03939	0.4
67.05486	2.5
69.03398	1.1
69.07038	1.4
70.06573	1.0
71.07369	0.6
71.08620	8.8
72.08137	1.3
73.02882	0.8
79.05474	1.6
81.03415	3.0
81.07048	3.1
82.06551	0.5
83.04973	5.5
83.08582	0.9
84.04474	0.5
84.08119	1.8
85.02902	2.1
85.06528	0.4
86.06053	4.2
86.09687	0.6
91.03940	0.9
91.05473	2.5
93.07032	1.6
95.04953	1.0
95.08591	2.6
96.08107	3.8
97.02883	1.3
97.06509	1.3
97.10175	0.4
98.06040	1.6
98.09681	7.5
98.21509	0.4
98.97578	0.3
99.04441	0.7
99.08084	4.0
100.11230	0.4
100.34953	0.3
101.02393	0.4
101.06001	5.0
105.07022	1.1
107.08568	1.2
108.08111	2.1
109.02838	0.6
109.06488	0.6
109.10121	0.9
110.06001	0.4
110.09641	0.7
111.04437	4.4
111.08021	0.7
112.07578	0.5
112.11155	0.4
113.06020	0.4
113.08315	0.5
116.10709	17.7
117.06975	0.4
119.08562	3.2
121.08832	0.6
121.10129	0.4
122.09647	1.9
124.07534	1.2
126.09168	0.8
127.03842	0.6
127.07502	0.7
128.87216	0.4
129.05447	2.2
131.08556	0.4
133.10095	0.6
135.08038	0.6
135.10416	0.4
136.11179	0.8
137.05974	0.9
137.09605	2.0
138.09117	0.4
140.10649	0.9
142.08618	1.6
143.10646	2.4
147.08018	0.8
147.11641	0.5
149.09662	0.4
150.12762	0.5
154.08578	1.5
154.12234	0.4
154.15880	3.1
155.03751	0.4
155.06978	2.0
157.09901	0.3
164.10648	0.7
164.14246	0.7
165.09052	1.6
166.15884	2.7
168.17418	1.0
171.03291	0.4
172.09691	0.8
173.08060	3.0
178.15891	2.3
180.06558	0.5
181.08548	0.3
182.15417	0.7
183.10136	0.5
186.77658	0.3
190.12265	0.6
193.12204	1.2
196.16939	10.1
198.14854	0.4
208.13333	1.5
211.13303	1.9
214.17987	100.0
215.18338	3.4
220.54727	0.4
221.04825	0.7
221.06906	0.3
226.14348	14.2
239.05840	3.9
244.15419	7.2
257.06924	7.0
257.13882	1.1
267.08960	4.5
267.54117	0.3
275.07919	0.5
280.08484	0.7
285.10025	8.8
285.16977	0.8
290.10672	0.5
308.11569	1.0
324.21640	3.9
328.05682	1.0
342.22699	5.7
343.08102	2.8
343.15115	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.4
57.03421	1.4
59.04980	0.8
61.86767	0.5
62.06080	0.9
67.05477	1.9
69.03411	0.8
69.07045	1.8
69.71008	3.2
69.71410	0.9
69.73563	0.5
70.06599	0.7
71.08247	0.6
71.08619	8.0
72.08130	1.6
79.05487	2.0
81.03371	0.8
81.07046	4.2
83.04971	4.4
83.08590	1.0
83.92516	0.5
84.08114	1.6
86.05602	0.8
86.06064	7.7
91.05445	1.8
93.07018	2.1
94.06556	0.5
95.04948	1.3
95.08574	2.5
96.08113	4.5
97.06520	5.8
98.06036	1.2
98.09676	5.1
99.08098	3.2
101.06036	4.0
105.07011	1.0
107.08583	1.3
108.08076	2.2
109.06438	0.7
111.04420	4.2
116.10707	21.2
119.08555	1.7
121.10130	0.8
122.09621	1.9
123.08017	0.6
124.07551	0.9
129.05469	1.2
131.08531	0.7
133.10101	0.7
134.09613	1.0
135.07991	0.7
135.10475	0.6
136.11176	1.0
137.09526	0.9
139.09851	0.7
141.06897	0.6
142.08630	5.6
143.10677	4.7
145.10124	0.7
154.15871	3.2
155.07010	1.4
163.11151	1.0
164.10692	2.0
166.15884	2.3
173.08116	3.4
178.15959	1.2
180.13771	0.8
182.15395	1.6
187.07585	0.9
190.12225	1.6
196.16946	8.4
198.14886	0.9
201.09030	0.8
208.13297	2.5
214.17989	100.0
215.07014	2.3
215.18320	3.4
224.48671	0.6
226.14352	13.3
227.12843	1.0
243.06381	1.0
244.15416	35.4
245.15738	1.3
246.08540	0.6
247.09593	0.7
260.11981	0.6
276.50815	0.5
302.09512	0.6
307.19043	0.9
311.12698	1.1
342.22733	6.0
343.08063	1.8
343.15485	2.7
343.22769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.8
57.03442	1.3
57.07067	14.2
59.04992	1.8
61.02917	2.3
63.61119	1.5
69.03406	3.9
70.06580	19.4
70.74752	4.1
73.02897	1.6
79.05501	1.5
81.03423	1.9
81.07043	1.4
83.08604	3.6
85.02893	18.7
86.09683	4.0
89.06018	40.4
91.03900	1.5
91.05451	1.4
97.02858	6.1
101.09644	14.9
106.75099	1.3
107.05007	1.5
107.07053	36.4
109.02911	1.8
112.58759	1.2
127.03886	3.3
127.60342	1.2
137.06006	2.1
145.04968	2.8
156.63051	1.4
157.80722	1.3
163.07690	1.2
163.13275	100.0
164.13573	2.2
183.14948	4.4
197.58636	1.1
202.67575	1.1
211.14420	1.6
282.17123	1.4
299.60007	1.2
324.18268	1.3
342.14838	2.3
342.19104	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04639	1.9
51.22294	2.0
57.03417	5.4
69.03422	2.5
69.72738	3.6
69.73154	9.0
70.06580	4.0
71.04991	1.8
71.08628	6.3
79.05441	3.0
79.79842	1.7
81.03385	2.2
81.07037	15.3
84.04553	1.8
85.02905	15.3
85.03362	2.9
85.06496	2.7
86.09695	3.2
95.08586	2.5
97.02856	2.2
98.21420	3.7
99.08093	22.5
102.05547	1.7
109.06516	18.7
111.05561	2.8
115.51673	1.8
117.09117	100.0
125.04607	2.3
127.07539	45.4
139.05000	4.3
145.04968	2.0
162.62167	1.8
163.09633	25.4
180.03746	3.7
195.11256	9.9
218.08812	2.4
223.10741	2.5
237.02724	1.8
298.11584	3.0
324.15619	2.8
342.14056	3.7
343.13440	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.9
55.01853	6.4
55.05502	21.6
57.03401	3.4
57.07065	14.4
59.04961	1.9
60.04501	9.3
65.03938	3.1
67.05499	36.0
69.07063	15.8
69.72707	15.7
71.04986	3.1
71.08623	5.0
79.05486	23.1
81.03405	11.5
81.07052	25.9
82.07378	2.7
83.04973	23.0
83.08604	13.2
85.10165	3.9
91.05456	26.7
93.03350	3.0
93.07037	24.9
95.04946	17.1
95.08603	23.3
95.24425	2.0
97.06527	2.5
97.10148	5.3
103.05413	2.7
105.07014	22.0
107.04934	9.4
107.08587	12.8
108.05663	1.9
109.06544	4.5
109.10126	4.1
111.04411	4.1
111.08057	4.8
115.05459	5.5
117.06995	18.6
119.04910	3.2
119.08568	11.1
121.06496	6.4
121.10124	5.0
122.41087	2.4
123.11691	4.1
125.09608	14.0
128.06197	4.3
129.07028	9.9
131.04927	4.2
131.08546	17.5
133.06467	6.6
133.10121	9.1
135.04393	4.1
135.08054	2.6
135.11644	2.2
141.06972	8.2
143.08585	11.3
145.06473	13.3
145.10109	13.7
147.08018	5.8
147.11665	4.0
153.09056	7.5
154.07803	4.0
155.08575	10.3
157.06480	2.6
157.10100	6.5
159.08057	17.5
159.11644	5.2
161.09645	3.1
163.11130	4.4
165.09114	2.4
165.12758	7.7
167.08646	3.5
169.10112	8.9
171.08093	3.4
171.11731	2.5
173.05963	2.0
173.09604	8.1
173.13249	3.5
177.12770	13.4
179.08488	2.3
181.10075	2.5
183.08067	2.5
183.11647	4.0
185.09532	2.0
187.11133	2.9
191.10638	5.7
197.09666	2.5
197.13213	3.1
211.11162	2.6
225.12556	3.3
229.15884	5.5
230.16409	3.1
231.17229	2.3
243.17461	14.7
258.35843	2.9
281.26761	4.5
295.24112	3.5
313.25229	3.9
323.23651	7.5
323.27368	2.8
341.24622	100.0
341.28870	28.1
342.24823	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.9
55.05516	32.1
57.03426	7.3
57.07071	30.3
64.39324	4.4
67.05495	35.5
69.07071	22.1
69.45314	20.4
69.45744	20.6
77.26865	3.8
79.05475	46.7
81.03408	13.5
81.07035	28.5
83.04974	17.2
83.08612	7.1
91.05465	48.0
93.07043	26.8
95.04969	17.4
95.08590	32.3
97.10178	4.5
98.20638	9.4
105.07034	51.7
107.04944	10.9
107.08602	18.4
109.06519	7.7
109.10156	13.6
115.05447	7.6
117.06982	26.7
119.08570	24.0
121.06496	8.0
121.10129	7.0
123.08087	5.8
125.09565	4.9
128.06216	10.8
129.06969	22.7
131.08554	25.7
133.06496	10.5
133.10118	17.6
135.08049	5.1
141.06989	15.7
142.07764	4.7
143.08556	18.6
145.06493	12.0
145.10110	27.1
147.08005	6.7
147.11642	9.3
149.09584	6.0
153.06956	7.4
155.08542	19.9
157.10106	17.0
159.08073	11.4
159.11703	10.4
161.09592	10.0
167.08594	8.8
169.10144	20.7
171.11711	13.1
173.09583	8.6
173.13206	6.0
175.14867	4.4
177.12740	11.0
179.08572	6.1
181.10162	6.2
183.08058	7.1
183.11678	12.3
185.09659	5.6
185.13268	6.7
187.07582	5.5
187.11179	5.5
193.10031	5.3
195.11613	5.6
197.13298	8.3
199.11206	7.8
201.09312	5.3
207.17384	4.4
209.13095	5.5
211.11186	7.8
223.16916	4.5
225.12868	5.6
229.12152	7.1
241.19647	6.3
281.18918	4.7
293.73407	4.4
295.24438	6.0
304.30115	4.4
313.25223	12.4
323.20081	4.8
323.23770	13.0
341.20807	6.6
341.24930	100.0
342.25140	6.5
343.99283	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.26496	0.9
50.66521	0.8
55.01873	0.9
55.35865	0.8
57.03437	1.0
68.07912	0.8
69.03413	1.7
69.73769	4.6
69.74179	1.6
70.06571	2.0
71.04992	1.1
73.04742	1.2
79.05479	2.8
81.07037	1.7
82.83135	0.7
83.06101	3.0
84.08128	2.7
85.02886	0.9
86.09715	1.4
91.05367	1.5
91.05818	3.2
94.04168	2.0
95.04939	1.8
95.08589	1.1
103.05433	3.9
105.07009	2.8
106.04187	1.9
107.04945	2.9
109.06520	2.2
111.04430	1.1
115.05461	1.2
117.03385	1.0
117.06968	1.0
119.04915	2.2
120.08105	1.0
121.06493	2.6
122.03627	4.5
125.05978	1.1
128.06233	2.2
129.06978	8.1
131.04875	5.4
131.08525	1.0
133.02806	2.8
133.06453	1.5
135.04364	2.0
136.06158	3.1
137.05963	67.6
138.06310	1.0
141.06908	1.6
143.04825	1.2
144.05676	3.0
145.06567	1.8
146.07262	5.4
147.04390	2.9
147.07988	1.2
149.05949	4.2
151.07541	3.4
153.05446	2.0
157.06464	4.9
158.07312	0.9
159.04440	1.0
159.07964	1.1
160.05153	1.8
161.05977	4.1
161.09598	1.0
163.03917	2.3
163.07529	2.4
165.05499	1.8
165.06956	2.3
171.08047	1.6
172.03885	1.0
172.05148	4.9
173.05983	1.1
174.06770	9.2
175.07532	7.0
177.05524	4.7
177.09071	2.6
178.07741	1.3
179.03397	1.6
179.08469	1.3
182.12953	1.5
183.08017	1.3
185.05908	1.5
187.07523	27.4
189.09103	11.9
190.07739	1.6
191.08545	3.6
193.06506	1.2
194.07269	2.1
196.05208	1.6
197.06070	0.9
199.07500	3.6
202.07796	3.7
203.08501	9.9
205.06483	2.4
207.07872	4.1
208.08859	2.5
209.09557	1.4
210.12331	1.1
211.07492	6.4
212.04637	1.0
217.08574	15.8
218.07237	1.9
219.08003	8.8
220.08791	4.0
221.05904	3.2
222.06728	2.1
224.08348	0.9
225.05504	1.0
225.09134	2.1
226.09773	1.0
227.06990	5.6
228.07689	1.1
231.08011	11.5
232.08768	1.7
233.06006	2.3
233.09457	1.1
234.06738	1.1
235.07602	2.7
236.08205	4.2
237.09125	3.7
239.06972	7.1
240.07764	3.6
245.09505	1.5
247.07532	7.1
248.08347	11.8
249.05479	1.4
249.09146	2.3
250.06424	2.2
251.07060	2.8
251.10596	4.7
253.08534	4.6
254.09381	6.5
255.06451	4.3
256.07294	1.4
259.07535	4.3
260.08347	2.6
261.09088	2.3
262.09848	1.0
263.07199	2.2
263.10660	11.6
264.07727	4.7
265.08582	8.2
267.06467	2.6
268.07376	1.6
270.08853	9.2
271.09656	9.5
276.07803	6.7
277.08603	2.9
279.10193	9.7
280.10959	0.9
281.08026	13.9
282.08829	14.0
283.09610	2.9
291.10141	28.0
292.10776	3.5
293.08051	5.0
295.09509	1.4
296.10437	12.9
297.11182	100.0
298.11584	3.1
308.10486	5.1
309.11090	1.9
311.12732	12.3
323.12756	34.8
324.13434	1.2
341.10370	2.2
341.13861	23.7
341.21942	1.1
359.03079	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
61.29978	1.0
65.03911	1.1
70.06581	1.4
70.14037	4.5
71.04980	3.1
79.05486	2.5
81.07072	1.7
85.02885	1.3
91.05464	4.7
93.07005	1.1
94.04175	3.6
95.04946	2.3
98.77178	1.0
103.05460	2.6
107.04907	1.6
109.06483	1.8
115.05425	2.4
116.91134	1.0
119.04906	2.5
122.03625	9.4
125.06049	1.3
128.06189	2.3
129.06969	10.2
131.04918	3.7
131.08525	1.5
133.02824	7.1
135.04390	1.6
137.05957	100.0
138.06270	1.2
143.04881	2.3
143.08511	1.4
144.05673	3.6
145.06474	2.9
149.05962	3.9
151.03886	2.8
151.07487	6.1
157.06454	5.5
160.05150	3.8
161.05948	2.2
163.03854	3.0
163.07513	2.9
165.05443	3.7
165.06784	1.1
171.08090	1.4
172.05156	4.6
173.05939	2.2
174.06741	9.3
175.07526	17.9
177.05458	5.0
177.06822	1.1
177.09009	1.6
178.07677	1.8
179.07030	3.5
181.06461	1.1
183.07892	1.1
185.05846	1.3
187.07520	42.3
188.08153	1.8
189.09062	18.4
190.07762	1.1
191.07027	1.2
191.08540	3.4
192.09210	1.4
196.05191	4.7
197.73116	1.0
199.07535	4.5
202.07802	3.8
203.08516	11.9
205.06468	2.7
205.08478	1.8
207.07942	1.7
208.08788	1.4
211.07545	16.4
212.04660	1.3
212.07861	1.4
213.05403	2.5
217.08586	21.5
219.08046	10.7
220.08751	5.9
221.06056	2.0
221.09572	1.4
225.08975	1.2
226.57478	1.0
227.06963	11.2
228.07730	3.1
231.08005	14.2
232.08760	2.5
233.05974	3.0
233.09546	2.6
234.06570	1.7
235.07550	2.3
236.08261	4.0
237.09087	2.1
239.06969	11.5
240.07741	9.3
241.04900	1.9
241.08618	2.1
245.09596	1.3
247.07556	8.3
248.08298	19.7
249.05591	1.3
249.08980	3.3
251.10661	6.1
253.08704	2.0
254.09309	1.4
255.06572	8.0
256.07303	8.6
259.07568	6.6
260.08292	1.9
261.09088	4.0
262.09677	2.2
263.07428	2.2
263.10657	19.8
264.07751	3.4
265.08588	6.6
267.09955	1.4
268.07272	4.9
269.08066	1.4
270.08850	22.6
271.09622	35.1
276.07776	11.8
277.08545	5.1
279.10083	12.8
281.08078	4.0
281.11484	1.7
282.08817	1.9
283.09601	9.2
291.10110	48.0
292.10855	4.3
293.08023	6.6
295.09555	2.1
296.10449	6.8
297.11099	5.2
305.11823	2.1
308.10452	6.0
311.12692	14.5
313.14355	2.5
323.12735	39.6
341.13815	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00513	1.1
53.03925	1.3
55.01860	2.0
55.05490	1.1
65.03913	2.6
66.04732	1.1
67.05470	1.6
69.03417	1.7
69.92387	3.9
69.92800	3.4
70.06580	3.3
70.99152	1.2
71.04987	2.3
71.08603	1.2
72.08147	2.4
73.17729	1.1
79.05486	3.3
81.03382	1.5
81.07035	3.7
84.04506	1.8
84.08111	9.4
85.02870	2.6
86.09673	4.6
91.05400	2.9
91.05866	2.5
94.04176	3.1
95.04941	3.2
97.02897	1.5
103.05443	3.6
105.06989	2.3
107.04961	3.5
109.06500	2.6
111.04402	2.1
115.05425	2.3
119.04913	3.9
121.06553	1.3
122.03629	8.6
125.05958	1.6
128.06206	3.2
129.06984	12.8
129.10181	2.7
131.04892	4.7
131.08536	2.1
133.02841	3.7
135.04396	1.8
137.05952	100.0
138.06319	1.4
141.06955	1.7
143.08508	2.2
144.05687	4.1
144.42847	1.2
145.06447	2.4
146.07182	1.5
147.04367	1.8
149.05963	3.3
151.03889	3.9
151.07545	5.2
153.05406	1.2
156.05717	1.9
157.06462	8.4
158.07240	2.9
159.04349	2.2
159.07994	1.4
160.05222	3.4
161.05971	2.1
162.83842	1.2
163.03957	1.3
163.07584	3.6
165.05460	3.1
165.95900	1.2
171.08054	2.6
172.05138	7.1
172.65407	1.5
173.05966	2.5
174.06731	15.9
175.07549	11.5
177.05437	4.1
177.09077	2.2
179.03371	1.8
179.08440	1.4
185.05934	1.9
187.07504	53.3
188.08194	1.3
189.09082	19.5
191.06966	2.1
191.08533	5.4
195.12842	1.3
196.05249	2.4
197.05861	1.7
197.16318	1.4
199.07533	7.8
202.07739	4.8
203.08507	14.8
205.06430	3.3
206.07140	1.4
207.07899	3.7
208.08789	3.4
211.07489	11.2
212.08293	1.3
213.05374	1.4
217.08545	30.4
218.07175	1.9
219.07996	13.6
220.08694	6.2
221.05792	2.1
222.06511	1.5
224.90903	1.2
225.05542	1.8
225.09088	1.3
227.06956	5.0
228.07718	1.4
231.08025	12.5
232.08853	3.4
233.05908	3.6
233.09576	2.7
234.06746	1.6
235.07568	3.6
236.08321	6.4
237.09135	4.7
239.06953	7.0
240.07730	4.3
247.07460	7.9
248.08269	18.1
249.05399	1.3
249.09053	4.6
250.06087	2.2
251.10693	6.5
252.09534	1.5
253.08615	4.1
255.06522	4.0
256.07248	4.5
259.07513	6.3
260.08517	2.5
261.09155	4.3
262.09760	2.3
263.07785	2.3
263.10605	17.2
264.07767	4.0
265.08612	7.8
268.07266	1.6
270.08914	8.3
271.09598	16.9
276.07767	9.0
277.08533	5.4
278.05774	1.4
279.06863	2.0
279.10110	19.1
280.10956	2.5
281.08066	4.9
282.08786	2.5
283.09546	7.2
291.10083	40.2
292.10611	3.1
293.07986	3.9
293.11490	1.5
295.09686	1.7
296.10324	10.9
297.11136	15.3
305.11346	1.6
308.10474	5.8
309.11169	1.7
311.12720	19.9
323.12701	40.2
341.13782	15.8
342.99570	2.2
359.02872	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01863	2.2
55.05494	1.3
56.96555	1.8
67.05489	1.2
69.07073	1.5
69.66241	6.6
70.06572	2.3
71.04989	2.3
71.08614	1.1
73.04726	1.3
79.05477	4.7
80.00491	0.8
81.03413	1.1
81.07058	2.6
83.85765	1.0
84.08121	1.4
85.02891	1.4
86.09697	6.4
89.03905	1.1
91.05470	5.9
91.05877	1.8
93.07019	1.1
94.04166	2.1
95.04975	1.7
95.08562	1.4
98.20692	2.0
102.04670	1.2
103.05456	5.3
105.03403	1.6
105.07027	5.5
107.04958	2.2
109.06519	2.8
109.10114	1.4
111.04455	1.5
115.05457	3.6
117.03384	1.4
117.06986	1.6
119.04929	3.3
119.08586	1.4
121.06477	1.5
122.03629	7.8
125.05959	2.0
128.06242	3.1
129.06978	7.2
129.82587	1.1
131.04909	7.1
132.05614	0.9
133.02838	4.9
133.06442	4.6
135.04364	2.5
137.05957	100.0
138.06348	1.5
140.27060	1.1
143.04926	2.6
143.08530	1.8
144.05724	3.2
145.02844	2.3
145.06487	3.3
146.03589	1.4
146.07234	1.4
147.04388	3.5
147.08005	2.2
149.05963	3.1
151.03893	4.1
151.07530	5.9
153.05495	1.4
157.06494	5.1
158.07234	1.8
159.04434	2.1
159.08055	2.0
160.05190	4.1
161.05972	11.2
162.06737	1.5
163.07518	6.5
165.05466	2.1
165.07008	1.4
167.06903	1.0
171.08208	1.4
172.05203	4.4
174.06725	10.1
175.07524	23.9
177.05412	7.2
177.09129	2.1
178.07776	1.4
179.06956	2.9
179.08501	1.6
181.06445	1.9
184.12688	1.0
185.06001	1.2
187.03867	2.7
187.07516	33.2
188.08264	1.7
189.07367	1.8
189.09076	12.4
190.07808	2.4
191.07013	2.2
191.08578	4.3
194.07333	1.7
196.05196	2.6
197.06001	1.7
199.07532	3.2
202.07803	3.3
203.08530	10.4
205.06490	3.1
205.08521	1.3
206.07439	1.2
207.08069	2.0
208.08775	1.9
209.05934	1.3
209.09645	1.0
211.07494	13.6
213.05432	2.0
217.04869	0.9
217.06653	1.8
217.08553	14.0
218.07199	1.9
219.08015	9.7
220.08897	5.5
221.05904	1.6
221.09560	2.1
222.06853	1.2
225.09065	1.4
227.06926	7.5
228.07794	2.0
231.08044	14.2
232.08687	2.7
233.05968	3.4
233.09586	1.8
234.06731	2.6
235.07506	4.3
236.08296	3.3
237.09109	3.0
239.06953	8.3
240.07822	6.7
241.05013	1.1
247.07530	7.3
248.08299	16.8
248.10652	1.7
249.05328	1.6
249.09023	3.2
250.06361	1.2
251.06712	1.2
251.10631	9.0
253.08397	2.1
255.06522	7.6
256.07272	4.1
259.07507	5.4
260.08780	4.5
261.09189	2.4
262.09866	1.1
263.07101	3.8
263.10663	16.1
264.07739	2.9
264.11130	1.0
265.08533	5.9
267.06592	1.2
268.07278	2.6
269.07800	1.4
270.08841	13.5
271.09634	22.1
276.07693	8.4
277.08578	6.0
278.05933	1.1
278.08926	1.1
279.10123	11.5
280.10898	2.2
281.04791	1.2
281.08109	3.4
281.11676	1.7
283.09622	9.1
291.06567	3.6
291.10092	39.6
292.10782	4.1
293.08038	6.7
295.06326	1.1
295.09729	2.1
296.10376	6.4
297.11148	8.0
308.10352	4.9
309.08121	1.2
309.11148	6.6
311.12744	15.1
313.14282	2.1
323.09167	2.8
323.12692	32.4
341.10291	1.7
341.13812	19.8
341.26941	1.2
345.28644	1.0
359.02832	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01860	3.0
55.05509	1.9
56.10240	1.3
58.78806	1.5
65.03907	3.6
66.02602	1.3
67.05477	4.5
69.07065	1.6
70.09880	5.0
70.10301	3.4
71.04942	1.5
72.08165	1.5
79.05483	4.3
81.07030	5.3
84.08132	2.3
91.05428	9.1
93.07038	2.0
94.04167	2.0
95.04951	4.3
95.08592	3.6
102.04707	1.9
103.05469	11.9
105.06989	8.0
107.04932	3.6
107.08585	1.9
109.06511	3.5
109.10132	1.6
111.04426	3.5
115.05446	2.8
119.04940	33.9
122.03684	8.1
125.06036	2.4
128.06203	8.6
129.06998	25.6
130.04114	8.3
131.04929	20.5
133.02827	1.7
133.06468	7.7
135.04330	2.5
137.05963	100.0
138.06265	1.8
141.05447	3.3
143.04877	2.7
145.06451	2.3
146.03625	4.3
147.03285	2.6
147.04396	33.1
149.05975	3.7
151.03899	59.6
151.04976	4.2
151.07521	12.7
153.05443	5.0
154.08621	2.2
157.06470	28.8
159.04381	3.7
160.05164	2.1
161.05952	20.0
162.05391	2.0
162.06755	32.8
163.07536	13.8
165.05441	3.8
171.08008	1.6
173.47298	1.5
174.06781	10.8
175.07500	6.2
177.05452	3.2
179.07077	2.3
185.05966	6.7
187.03891	2.2
187.07585	7.5
189.09068	39.3
191.07011	4.0
191.08534	3.9
193.10085	1.8
201.09155	1.9
202.07739	7.9
203.08534	30.4
205.06479	2.8
206.07219	1.6
217.08574	27.9
218.07121	2.8
219.08080	12.6
220.08838	9.2
221.09499	2.8
223.07549	1.7
230.07156	2.1
231.08022	27.5
232.08815	5.9
233.05963	1.7
233.09328	2.1
234.06854	2.0
236.08319	2.4
237.09123	3.2
247.07571	8.6
248.08328	17.5
249.08980	6.3
251.10558	2.0
259.07562	10.0
260.08243	2.6
261.09042	4.7
263.07791	2.7
263.10657	26.3
264.07895	2.6
265.08569	3.1
270.05240	2.0
270.08844	2.4
271.09622	2.9
276.07852	12.1
277.08621	10.1
279.10172	9.2
281.11630	2.7
291.10135	58.8
292.10757	5.8
293.04825	2.0
293.08109	5.2
298.04703	5.8
308.10400	4.3
309.11179	5.6
311.12668	4.1
323.12790	13.5
325.07065	6.7
326.04178	5.4
341.06802	17.8
341.13812	96.8
341.21359	5.3
342.09955	3.3
342.14209	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0865
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03936	0.3
53.71262	0.2
61.02918	0.4
69.03405	0.9
70.06580	0.2
70.99249	0.6
71.04996	0.2
78.66277	0.2
79.52804	0.2
81.03391	0.5
85.02898	2.1
89.03905	0.5
95.04998	0.3
97.02865	0.9
105.03368	0.5
109.02812	0.4
117.03384	0.4
119.09498	0.3
123.04418	9.9
133.02843	9.0
135.04411	2.0
137.05989	0.3
151.03900	3.9
152.04164	0.2
167.32756	0.2
179.03378	100.0
180.03716	3.1
191.29810	0.2
341.08603	0.9
341.17029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03443	1.4
57.07062	1.4
67.05502	1.5
69.03408	1.7
69.07064	1.3
69.29022	1.2
70.34171	2.1
70.34569	2.9
71.05000	1.9
72.08118	1.7
72.29555	1.1
79.05476	3.8
81.07022	1.9
84.08125	2.9
85.15900	1.2
86.09696	2.9
91.05453	3.6
93.07034	1.5
94.04181	2.9
95.04959	2.7
95.08593	1.2
97.02857	1.4
103.05463	2.8
105.07019	3.2
107.04948	3.6
107.08554	1.4
109.06524	3.6
111.04435	1.6
115.05453	2.3
115.17982	1.4
121.06477	1.7
122.03629	9.4
128.06235	2.1
129.07022	9.9
131.04924	5.4
133.02844	3.6
133.06444	1.6
135.04373	2.8
137.05962	100.0
138.06351	1.3
143.04919	1.4
144.05664	2.8
145.06427	3.0
146.07356	1.2
147.04361	2.0
149.05923	4.0
151.03908	2.9
151.07547	5.5
157.06483	5.2
157.74702	1.2
158.07256	1.6
160.05212	2.3
161.05942	2.6
163.04007	2.0
163.07567	5.7
165.05513	2.1
165.06984	1.4
167.06917	1.3
171.08029	1.6
172.05229	6.2
173.05888	1.5
174.06741	12.0
175.07552	9.5
177.05444	2.0
179.07051	2.5
187.03973	3.3
187.07516	42.4
188.08272	2.7
189.09073	15.8
190.07774	2.2
191.07014	7.8
191.08601	5.0
199.07539	5.1
202.07797	4.1
203.08540	14.1
205.06458	2.5
208.08752	2.6
211.07545	5.1
217.08580	23.9
218.07266	1.9
219.08025	10.4
220.08823	4.7
221.05957	2.4
221.08051	3.3
227.06972	6.8
228.07677	1.5
231.08037	17.7
232.08791	3.9
233.06004	2.8
233.09567	2.4
235.07542	3.6
236.08292	3.3
237.09047	2.9
239.07076	4.9
240.07846	1.6
247.07491	9.4
248.08296	16.8
249.05585	1.4
249.08995	3.9
251.06873	1.5
251.10637	6.9
253.08504	3.7
255.06598	6.2
256.07260	3.6
259.07425	6.8
260.08267	3.0
261.05267	1.3
261.09100	3.7
261.37003	1.4
263.07242	2.8
263.10672	15.6
264.07721	2.8
265.08627	6.9
268.07404	1.5
270.08850	11.0
271.09644	10.9
276.07825	8.6
277.08578	4.3
278.09344	1.8
279.10110	15.3
280.07355	1.3
280.10797	1.5
281.08112	3.4
283.09601	4.0
291.06802	1.7
291.10095	38.7
292.10834	3.8
293.08276	6.0
295.09598	1.7
296.10342	8.3
297.11203	6.6
308.10339	4.6
309.11108	3.3
311.12698	14.3
323.09457	1.2
323.12732	34.5
341.09979	2.0
341.13739	22.4
358.17688	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01859	6.8
55.05494	2.4
56.05038	1.8
56.96530	2.0
57.03416	7.6
61.02911	7.4
68.99770	5.6
69.03421	42.3
70.06577	6.5
71.04987	4.1
73.02883	5.8
79.05479	2.2
81.03416	25.8
83.01353	1.9
84.04507	2.3
84.08125	6.2
85.02895	100.0
86.09705	3.1
87.00816	50.0
87.04436	2.2
91.05447	2.6
95.04951	2.0
97.02879	33.9
98.15480	1.7
99.04451	12.3
99.71406	1.6
103.05434	3.0
105.01852	72.8
105.07044	2.3
107.04937	2.0
107.37952	1.9
108.04454	2.3
109.02863	28.1
110.07137	1.7
115.03889	2.3
117.01865	3.3
119.08550	2.0
120.08112	2.2
122.03624	2.4
123.08134	1.5
124.07609	2.2
127.03899	71.5
129.01817	2.4
129.10260	2.3
130.04941	2.1
131.04900	1.7
135.04379	2.2
137.05968	19.0
138.81906	1.5
145.02837	3.2
145.04950	30.0
147.02879	2.6
149.05916	2.2
159.02927	11.3
159.04126	2.5
161.06013	2.4
163.03870	3.3
175.07594	2.0
177.05467	6.0
178.05807	3.3
179.06900	1.7
187.07526	6.4
189.09030	3.0
203.08681	4.0
213.03941	1.9
217.08572	5.6
219.08002	3.4
231.04984	16.0
231.08002	2.4
248.08092	3.4
249.06131	3.7
249.08914	2.2
263.10617	3.3
265.08569	3.4
270.08929	2.6
271.09430	2.8
277.08575	1.8
279.10156	3.9
281.07959	2.7
283.09625	2.0
291.10031	8.4
296.10474	1.8
297.11172	14.0
311.12875	1.6
323.12805	6.7
341.13882	6.2
359.02878	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
54.25541	1.6
54.27802	1.5
54.43471	1.5
55.01860	4.6
55.05506	19.1
57.03412	4.4
57.07060	7.8
59.89532	1.5
65.03915	1.7
67.05498	14.3
69.03413	2.0
69.07051	13.7
70.81086	3.1
70.81485	3.6
71.08610	2.3
79.05476	22.2
81.07043	16.0
83.04965	16.3
83.08614	8.2
85.99781	1.5
91.05465	26.0
92.05812	1.7
93.07030	17.5
95.04962	4.6
95.08604	11.0
97.06496	2.0
97.10130	4.6
105.07027	28.3
106.07793	2.1
107.04959	4.8
107.08580	25.3
109.06515	2.6
109.10138	5.2
111.11640	1.8
115.05426	4.0
117.07009	9.3
119.04974	1.8
119.08572	9.5
121.06509	2.9
121.10161	9.3
123.08027	2.2
123.11682	2.7
128.06215	4.9
129.06973	11.5
130.63310	1.7
131.08575	10.6
133.06450	3.0
133.10081	6.2
135.04379	2.7
135.11653	2.6
141.06992	11.0
142.07712	3.4
143.08505	9.9
145.06461	10.4
145.10133	2.5
145.56761	1.7
147.08040	1.8
149.05983	2.9
149.09587	9.7
149.13298	2.0
153.06961	5.0
155.08536	27.5
156.09300	2.6
157.10107	5.8
159.08038	5.8
161.09666	3.1
161.13206	3.8
165.06979	3.7
167.07329	1.7
167.08560	8.1
168.09288	2.9
169.10118	11.5
171.08051	6.7
173.09567	3.0
173.13158	1.9
175.11176	2.0
177.05429	2.0
179.08528	3.7
181.10081	3.8
183.08075	5.4
183.11644	8.9
184.08810	2.6
185.09525	3.9
185.13150	3.2
194.10880	1.8
195.07933	3.3
195.11742	2.2
197.09616	17.7
197.13159	2.6
203.10410	1.9
209.09680	2.5
209.13229	8.4
211.11195	6.0
211.14679	2.0
213.12700	4.0
215.14252	2.0
225.12773	8.8
226.13457	4.0
227.14209	4.0
229.15788	4.1
239.14334	4.3
239.17899	4.0
255.13765	7.2
255.17395	2.8
281.18866	9.8
283.16870	2.4
295.20490	2.8
297.21933	2.0
310.22891	11.0
311.23648	15.2
312.23889	2.3
321.21957	2.0
339.23138	100.0
339.28772	21.2
340.23367	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2314
Annotation	nor-Plakotenin
Peak:m/z	Relative Intensity
53.03923	2.2
55.01858	3.4
55.05502	13.9
56.56935	0.7
57.03424	5.0
57.07066	4.9
67.05494	13.4
69.03438	0.8
69.07057	11.8
71.04970	1.8
71.08614	1.9
71.48708	0.8
71.49062	0.9
79.05484	15.7
81.03387	2.3
81.06599	1.0
81.07045	14.5
83.04965	8.4
83.08610	7.2
85.10147	1.4
91.04912	1.2
91.05465	17.6
93.07029	11.3
95.04954	3.6
95.08573	10.3
97.06477	1.6
97.10151	3.4
103.05423	1.5
105.03379	1.2
105.07019	11.8
107.04926	3.1
107.08569	7.3
109.06506	1.3
109.10120	3.8
111.04414	1.2
111.08047	1.3
111.11676	1.2
115.05434	3.4
117.06991	7.4
119.04961	4.0
119.08566	8.4
121.06465	2.3
121.10097	3.8
123.11672	1.2
125.09620	3.2
127.03893	1.6
128.06210	6.0
129.06992	9.4
131.04930	1.2
131.08524	6.6
133.06447	4.0
133.10109	4.6
135.04387	1.5
135.08008	1.6
135.11653	3.1
137.05937	0.8
139.07599	0.9
140.94157	0.8
141.06921	4.4
142.07755	3.2
143.08531	7.4
144.05710	0.7
145.06461	6.5
145.10110	4.4
147.08015	1.8
147.11649	2.5
149.05962	1.2
149.09599	1.9
149.13234	1.2
153.06984	2.3
153.09019	2.1
154.07738	2.2
155.08525	5.0
156.09250	1.7
157.06474	2.8
157.10123	4.5
158.07251	0.8
159.08012	4.4
159.11693	2.1
161.05960	1.4
161.09610	8.7
161.13226	1.5
163.07509	0.9
163.11032	1.0
165.06995	4.4
165.09079	0.8
166.07825	1.8
167.08557	7.0
168.09348	1.1
169.06558	0.9
169.10112	4.8
170.07220	0.9
171.08044	6.4
171.11662	3.0
172.08807	0.9
173.09592	1.3
173.13210	1.6
175.11214	1.6
177.09160	1.1
177.12740	5.9
178.07747	1.7
179.08507	2.7
180.09238	1.7
181.10043	5.8
183.08037	2.6
183.10155	2.2
183.11676	2.5
184.08835	1.5
185.09627	5.6
185.13237	1.1
187.11124	1.3
187.14795	1.0
189.09088	2.4
191.10614	1.3
193.10100	2.0
195.08008	1.1
195.11621	4.0
197.09578	2.7
197.13249	2.1
198.10295	1.4
199.07487	1.4
199.11206	3.1
199.14729	1.1
201.12688	1.4
203.10663	2.2
205.10162	1.1
207.11740	1.8
209.09590	0.9
209.13234	3.2
211.11186	2.3
213.09164	1.1
213.12752	3.2
213.16302	0.9
215.10654	1.3
219.11697	1.0
221.13225	0.9
223.14851	1.8
225.12735	1.9
227.10609	1.6
227.14265	2.5
228.15062	1.0
229.12332	0.9
229.15802	6.3
235.14664	1.0
237.12607	1.4
237.16484	1.1
239.10670	1.8
239.14270	2.7
239.18010	0.8
240.14951	1.1
241.12302	1.0
241.19415	1.2
251.14095	1.0
251.17957	1.1
253.12259	2.4
253.15813	1.8
254.12970	1.1
255.13785	3.8
255.17435	2.1
265.15753	1.2
267.13791	2.9
267.17493	1.1
268.14520	1.8
269.15378	1.6
269.18951	2.4
279.17795	0.9
279.21042	2.4
281.18973	1.0
283.16815	1.0
283.20471	1.1
293.19086	0.9
293.22559	1.8
295.20599	1.6
297.18433	2.2
297.21945	0.9
301.28537	0.9
310.19482	0.8
310.22775	2.7
311.23630	8.7
321.21985	3.8
337.17453	0.8
339.23145	100.0
339.28903	14.3
340.23483	8.2
351.90207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00966	1.7
51.88119	1.7
53.03938	7.9
54.45404	1.9
55.01859	14.8
55.05505	21.9
57.03431	27.0
57.07056	2.6
67.05494	53.7
69.03421	13.3
69.07063	26.4
69.24680	2.1
71.01323	2.5
71.04981	7.4
71.74443	2.3
76.00968	2.0
79.05482	59.3
81.03394	11.9
81.07043	100.0
82.07368	2.2
83.04974	10.2
83.08601	13.1
85.02887	4.4
91.05466	48.8
93.06440	1.8
93.07032	50.5
95.04951	13.7
95.08595	55.1
97.06513	22.1
97.10160	4.7
99.04485	2.2
99.08092	2.9
101.71892	1.9
103.05413	2.3
105.07011	26.4
107.04929	15.3
107.08588	26.3
109.02869	4.5
109.06493	15.1
109.10136	17.9
111.04379	1.9
111.08067	4.5
117.07010	14.3
119.08559	33.8
121.06496	5.8
121.10120	21.4
123.08020	10.0
123.11709	5.8
125.09576	4.9
127.07594	2.5
128.06268	2.5
129.07008	5.0
131.08549	18.9
133.10104	18.3
135.04369	4.0
135.08041	16.7
135.11685	7.8
137.09569	21.2
139.11163	7.6
141.06978	3.3
143.07062	3.4
143.08517	4.8
145.02809	3.8
145.06470	2.7
145.10085	19.7
147.08102	2.4
147.11684	7.2
149.02409	1.9
149.05907	5.7
149.09613	23.5
149.13223	2.3
151.07497	5.7
151.11180	3.4
155.08496	3.1
155.10623	2.5
159.08005	3.9
159.11673	8.9
161.09590	3.6
161.13231	2.3
163.07509	5.5
163.11151	7.0
165.09091	7.8
165.12787	2.2
167.08566	1.8
167.10672	6.0
169.10135	2.6
171.10291	2.1
171.11658	3.1
173.09491	2.4
173.13240	3.6
177.05470	7.8
177.09102	3.3
177.12747	3.9
179.10649	2.5
183.11681	3.4
187.11183	3.0
187.14822	5.1
201.16325	9.9
211.14742	5.8
219.17422	6.7
229.15952	9.5
243.10197	2.6
247.16913	22.1
260.10645	2.1
265.18124	4.2
303.19559	3.6
321.20734	8.5
339.15427	4.8
339.22128	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.01863	12.6
55.05500	19.8
57.03431	19.7
67.05493	51.9
69.03415	10.6
69.07059	24.0
71.04977	8.1
79.05480	53.2
81.03391	7.3
81.07042	100.0
83.04976	10.0
83.08610	11.8
85.06501	3.3
89.36426	1.9
91.05462	41.8
93.07028	44.6
95.04959	15.6
95.08592	52.3
95.31647	1.9
97.02882	2.8
97.06515	19.6
97.10158	3.5
99.08064	4.5
99.26318	1.7
105.07003	22.0
107.04967	10.7
107.08577	26.3
109.06506	23.0
109.10143	19.5
111.08041	7.8
115.05450	3.8
117.06980	15.8
119.04869	2.1
119.08564	30.6
121.06481	4.8
121.10120	22.9
123.08057	15.9
123.11664	5.3
125.09618	4.7
129.06970	5.5
131.08543	17.7
133.06482	2.5
133.10123	12.0
135.04419	2.9
135.08035	19.8
135.11674	7.6
137.05951	2.2
137.09596	25.9
139.11121	6.1
141.06943	7.4
142.32358	2.0
143.08510	4.3
144.05719	3.0
145.02890	1.9
145.06477	5.7
145.10081	14.7
147.08020	5.7
147.11678	6.1
149.05948	4.6
149.09602	19.6
150.84126	1.9
151.07489	6.5
151.11205	2.9
153.06958	2.0
153.09073	2.8
155.08485	2.2
157.10072	3.4
159.08017	4.8
159.11676	6.9
161.09645	3.6
161.13272	2.1
163.07487	4.3
163.11169	7.9
165.09059	5.2
169.06496	13.0
169.10077	4.4
171.11693	2.4
173.09599	2.8
173.13191	5.7
175.03885	2.5
175.11108	2.2
177.05446	7.1
177.12730	3.3
179.10585	1.8
187.07509	7.1
187.11211	1.9
187.14784	3.9
191.14258	1.7
194.07491	1.8
197.05940	7.4
198.06668	1.8
200.04678	9.6
201.16318	10.1
203.07025	2.1
207.13654	2.4
207.17538	1.8
211.14830	4.7
215.06990	15.2
219.17484	5.1
229.15845	9.1
243.10182	3.2
247.16881	21.8
265.17932	4.9
277.35117	1.7
321.20673	9.3
321.23813	1.9
328.84464	2.1
332.79950	2.0
339.04749	2.0
339.12177	2.3
339.15588	4.7
339.21863	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.4
55.01867	11.6
55.05508	23.3
57.03434	21.7
65.03925	5.1
67.05500	48.8
69.03433	12.0
69.07059	44.7
69.40465	2.0
69.61801	15.0
71.01328	2.4
71.04984	5.4
79.05484	60.3
81.03410	23.0
81.07049	100.0
82.07332	2.0
83.04972	9.4
83.08611	12.0
85.02892	4.6
85.06538	2.9
86.09696	5.3
87.04494	2.2
91.05471	43.9
93.07034	54.9
94.06552	1.7
95.01289	2.4
95.04961	15.9
95.08598	52.2
97.02866	8.3
97.06512	13.4
99.04447	5.7
99.08097	5.1
103.05435	2.3
105.07021	24.8
107.04922	14.8
107.08568	29.9
109.02866	21.3
109.06504	26.7
109.10155	22.8
111.04449	2.5
111.08054	5.9
113.05955	2.6
114.09162	2.7
115.05397	2.2
117.06994	12.8
119.08562	22.8
121.06475	8.3
121.10133	30.1
123.04454	2.1
123.08052	11.6
123.11685	3.7
125.09655	2.6
127.03908	2.7
129.07002	5.1
131.08537	20.0
133.06474	4.2
133.10126	16.6
135.04424	4.0
135.08020	20.5
135.11684	6.5
137.05968	2.8
137.09576	22.1
139.11186	5.3
141.06950	1.9
143.08597	3.5
145.02800	3.5
145.06418	2.2
145.10103	19.2
147.04366	4.2
147.08046	3.8
147.11696	6.2
149.05998	3.9
149.09618	32.5
151.03949	2.9
151.07582	2.9
151.11176	7.1
153.09111	6.0
155.08549	2.0
155.10588	2.2
157.10088	2.3
159.07993	2.5
159.11702	6.6
160.47469	1.8
160.64224	1.8
161.09624	5.5
161.13188	1.8
163.03911	7.6
163.07474	2.1
163.11183	8.7
164.03915	1.7
164.75787	2.1
165.09108	7.5
167.10669	6.5
169.10098	4.4
171.11639	2.8
173.13223	3.3
175.11102	2.3
177.05479	5.9
177.09093	3.5
177.12750	3.1
179.10666	2.7
185.13213	4.9
187.11140	4.7
187.14839	3.9
201.16345	8.2
203.03430	6.0
203.14459	2.1
207.06627	2.4
211.14807	9.0
215.10368	2.3
219.17368	4.2
224.93590	2.0
229.15878	14.8
247.16913	30.7
265.17902	6.4
297.06390	2.4
321.20892	9.2
325.05545	2.5
339.21552	37.4
340.04602	2.6
340.08173	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59513	1.8
53.03934	7.6
55.01860	12.1
55.05507	23.7
57.03429	23.4
65.03926	2.8
67.05496	44.3
69.03413	9.3
69.07059	36.2
70.35871	7.2
71.01308	1.9
71.04970	5.8
72.08111	2.7
79.05482	57.4
81.03410	24.7
81.07044	100.0
83.04961	10.2
83.08608	14.2
85.02896	6.6
85.06533	2.9
86.09692	3.7
91.05470	41.4
93.07037	50.5
95.04943	16.5
95.08588	49.7
97.02885	10.3
97.06517	16.0
99.04433	3.9
99.08080	5.5
105.07012	25.6
107.04952	13.9
107.08582	27.1
109.02846	18.6
109.06500	22.2
109.10126	19.6
111.08068	5.7
115.05417	2.1
117.03336	1.9
117.07018	12.5
119.08561	27.2
121.06488	7.8
121.10131	23.3
123.04434	2.6
123.08010	9.0
123.11655	4.0
125.09623	4.5
127.03886	5.6
129.06987	4.9
131.08548	21.5
133.06454	2.9
133.10127	15.3
135.04388	4.0
135.08025	23.8
135.11674	5.1
137.05942	4.7
137.09601	18.7
139.11147	8.3
143.08531	4.7
145.02899	2.9
145.06438	2.2
145.10092	15.4
147.08002	4.2
147.11685	4.3
149.06007	3.5
149.09598	26.3
151.03783	2.5
151.07513	2.0
151.11165	6.3
153.09109	5.7
155.08513	2.4
155.10680	2.8
159.08028	2.9
159.11664	7.5
161.09615	3.1
161.13277	2.9
163.03911	5.7
163.11147	10.4
165.09061	5.5
167.10696	5.4
169.10146	4.6
173.09659	2.6
173.13197	3.8
177.05472	5.0
177.09114	2.9
177.16353	2.1
178.09998	1.9
179.10603	2.2
183.11633	2.3
185.13245	3.2
187.11247	4.2
187.14824	4.4
189.05382	2.7
191.10677	2.1
201.12869	1.8
201.16388	12.6
203.03421	5.5
205.12163	2.0
211.14845	4.1
215.03247	1.8
219.17427	5.8
229.15857	13.0
235.05934	2.1
247.16902	29.5
259.87173	1.8
265.17917	7.7
297.06329	3.1
301.87561	1.8
303.19464	3.1
321.20547	8.0
325.05789	3.7
339.21359	31.6
340.08093	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.64918	1.2
55.01857	2.3
55.05479	1.5
57.03421	1.9
57.51966	1.2
65.03931	1.9
66.84857	1.3
67.05489	2.4
69.03417	3.8
69.07040	2.7
70.06572	5.8
70.64031	4.7
70.64411	2.4
71.04970	1.5
72.08119	2.5
72.57028	1.3
74.93073	1.5
79.05457	4.2
81.03412	4.0
81.07041	4.3
83.04949	2.0
84.08113	3.4
85.02903	2.7
85.94028	1.5
86.09672	2.4
91.05448	15.9
93.07016	3.1
95.04953	3.5
95.08598	3.1
97.02869	2.6
99.04453	1.5
105.06995	2.8
107.04939	2.0
107.08547	2.6
109.06483	1.5
117.03352	4.4
119.04922	29.0
119.08527	1.9
120.08064	1.9
121.10120	2.5
121.73447	1.6
133.10188	1.6
135.04398	2.2
136.06126	1.6
145.02817	9.5
147.04388	100.0
148.04733	2.8
149.05951	4.0
151.07518	2.3
159.07976	1.6
163.27098	1.3
165.05409	2.6
165.09064	1.5
177.05440	18.1
219.08038	5.2
251.10739	1.9
279.10059	3.8
280.10764	1.8
309.53372	1.5
311.09259	1.9
311.12665	4.5
321.09692	1.9
339.08475	3.8
339.12067	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
54.44473	1.8
55.05498	7.8
56.42693	1.6
56.96005	1.6
57.03418	4.7
65.62642	1.7
67.05499	9.7
69.03451	1.8
69.07061	4.6
71.74934	2.3
78.56488	1.9
79.05502	16.0
81.03419	3.6
81.07050	11.9
82.07367	2.4
83.04965	3.6
83.08611	3.4
91.05467	18.0
91.62193	1.8
93.07029	15.8
93.16531	1.8
95.04964	5.1
95.08589	8.6
97.06507	4.6
105.07051	9.3
107.04968	2.9
107.08585	14.0
109.06535	2.4
109.10128	3.6
111.08083	3.5
117.07011	4.6
119.04917	2.8
119.08578	5.7
121.06539	2.9
121.10140	7.2
121.84931	2.1
123.08045	3.4
129.07002	3.7
131.08551	7.9
133.02823	9.8
133.10074	2.8
135.04451	5.4
135.08049	6.8
135.11665	2.5
145.10065	2.9
147.04402	2.3
149.05943	4.4
149.09607	3.9
149.13242	6.4
159.04443	3.8
159.11702	4.5
161.02324	13.0
163.03917	8.6
173.02342	100.0
175.03906	4.9
177.12708	10.5
178.13478	3.4
179.14247	5.2
185.06006	2.7
189.05463	3.0
199.03871	2.3
201.05457	3.4
215.07016	67.3
215.08994	4.3
217.08621	3.2
217.33031	1.8
228.37038	1.9
267.10144	7.2
307.09677	3.4
321.14725	3.2
321.18185	2.4
339.15860	8.0
339.19540	3.7
339.23291	4.2
339.27695	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
54.44473	1.8
55.05498	7.8
56.42693	1.6
56.96005	1.6
57.03418	4.7
65.62642	1.7
67.05499	9.7
69.03451	1.8
69.07061	4.6
71.74934	2.3
78.56488	1.9
79.05502	16.0
81.03419	3.6
81.07050	11.9
82.07367	2.4
83.04965	3.6
83.08611	3.4
91.05467	18.0
91.62193	1.8
93.07029	15.8
93.16531	1.8
95.04964	5.1
95.08589	8.6
97.06507	4.6
105.07051	9.3
107.04968	2.9
107.08585	14.0
109.06535	2.4
109.10128	3.6
111.08083	3.5
117.07011	4.6
119.04917	2.8
119.08578	5.7
121.06539	2.9
121.10140	7.2
121.84931	2.1
123.08045	3.4
129.07002	3.7
131.08551	7.9
133.02823	9.8
133.10074	2.8
135.04451	5.4
135.08049	6.8
135.11665	2.5
145.10065	2.9
147.04402	2.3
149.05943	4.4
149.09607	3.9
149.13242	6.4
159.04443	3.8
159.11702	4.5
161.02324	13.0
163.03917	8.6
173.02342	100.0
175.03906	4.9
177.12708	10.5
178.13478	3.4
179.14247	5.2
185.06006	2.7
189.05463	3.0
199.03871	2.3
201.05457	3.4
215.07016	67.3
215.08994	4.3
217.08621	3.2
217.33031	1.8
228.37038	1.9
267.10144	7.2
307.09677	3.4
321.14725	3.2
321.18185	2.4
339.15860	8.0
339.19540	3.7
339.23291	4.2
339.27695	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96978	0.9
53.83515	0.8
55.01864	1.1
62.18694	0.8
70.06592	0.9
71.73452	0.8
71.73936	1.0
73.16521	0.9
75.17197	0.9
79.06380	0.9
84.08146	1.3
85.02911	1.6
89.03906	4.3
91.05466	1.0
95.01318	2.2
102.21467	0.8
107.04952	2.6
109.02933	0.9
117.03358	5.7
119.04916	1.5
120.08146	1.0
121.02869	1.6
121.08433	1.0
123.04450	2.1
129.51485	0.8
131.04944	2.3
131.13162	0.8
135.04404	23.5
136.07555	0.9
141.01804	1.7
145.02831	8.2
147.04393	31.1
149.02306	4.2
149.05980	3.0
159.04449	1.3
161.05951	1.2
163.03886	92.7
164.04198	1.4
169.96278	0.9
175.03914	3.5
177.01810	3.5
177.03995	1.7
177.05453	2.2
187.03922	2.0
203.03371	100.0
204.03751	2.4
205.04993	3.3
215.03369	4.9
217.12083	1.1
219.03032	1.1
229.04881	1.9
231.02898	12.5
233.04494	4.9
243.02823	0.9
261.03946	4.9
279.04935	7.4
291.04926	4.0
339.07129	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1071
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
57.03422	0.8
65.03911	0.9
67.05491	0.9
70.06578	1.9
70.27586	2.9
75.03551	0.6
79.05479	0.6
81.03391	0.6
83.04970	1.3
84.08121	1.2
85.02901	1.8
85.04014	0.8
86.09684	0.8
87.19507	0.6
91.05474	10.4
97.02872	0.9
119.04928	25.8
127.03944	0.6
135.04407	1.2
141.99718	0.7
145.02887	0.8
147.04393	100.0
148.04755	2.1
149.05966	2.1
149.41208	0.8
158.05849	0.8
159.08020	0.8
165.05505	0.8
177.05490	1.8
177.08995	0.7
219.02818	1.5
266.71555	0.7
339.04977	1.2
339.14227	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1071
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.68451	0.6
65.03924	1.0
69.91216	1.2
69.91626	2.3
83.04971	0.6
85.02902	1.0
91.05473	9.4
93.03346	0.6
98.21412	1.2
119.04929	23.4
124.99390	0.6
147.04395	100.0
148.04742	3.7
165.05479	1.3
187.64207	0.6
219.02795	3.6
240.62813	0.7
261.04025	1.4
358.41376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.5
56.96537	0.4
68.20866	0.4
69.07043	0.7
69.63383	0.4
70.06577	0.7
70.64133	1.6
72.08141	12.3
74.06064	0.6
84.08105	0.5
86.08034	0.4
86.09688	0.7
91.05470	8.1
97.02873	0.4
97.06510	2.4
100.07546	0.5
107.04906	0.6
118.06543	0.5
118.08644	4.0
119.04913	9.1
120.01151	1.0
120.08099	1.1
121.06490	0.8
136.07552	100.0
137.07915	1.5
145.09718	0.4
147.04402	1.1
148.07565	0.7
158.05991	0.6
164.07042	0.4
193.09694	55.0
194.10048	0.9
218.10088	0.4
221.09200	8.9
260.10968	0.4
281.15030	0.6
302.12012	0.6
338.16852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2731
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
50.13692	1.0
53.03925	2.8
54.10446	1.3
55.01855	1.7
55.05502	39.1
57.03430	26.8
57.07061	7.5
65.03920	3.4
67.05495	92.9
67.36456	1.0
68.05804	1.1
69.07058	53.8
70.07420	1.2
71.00292	1.3
71.00635	2.3
71.04978	1.7
71.08607	3.3
79.05483	24.2
81.07045	92.6
82.07358	2.0
83.04942	3.1
83.08610	26.4
85.06514	1.8
91.05473	15.6
93.06496	1.9
93.07034	23.5
95.04935	1.7
95.08596	75.0
96.08940	1.5
97.06523	6.5
97.10146	14.4
98.28124	0.9
99.08051	3.1
100.68842	1.1
105.07020	10.9
107.08585	13.9
109.06490	1.6
109.10144	28.1
110.10415	1.1
111.08038	3.3
111.11703	3.3
113.09649	1.2
119.08562	10.3
121.10126	10.5
123.08050	2.0
123.11691	10.1
125.09585	1.5
133.10094	8.0
135.11674	6.6
137.13232	5.0
139.11177	1.3
147.11688	5.6
149.13257	5.7
151.11163	1.2
151.14709	1.4
153.12660	1.8
161.13200	3.9
163.14810	5.1
175.14812	2.1
189.16324	1.7
245.22563	3.9
263.23685	6.6
269.71213	1.0
337.27322	100.0
338.27744	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2732
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03934	2.1
55.01850	1.4
55.05504	36.1
57.03430	23.5
57.07057	5.9
58.96828	0.9
65.03915	2.4
67.05494	75.7
69.07057	43.0
69.70281	1.5
69.70700	5.7
69.84107	0.9
71.04977	3.1
71.08600	3.3
79.05482	19.1
80.98912	0.9
81.07040	77.6
82.07346	1.6
83.04965	2.7
83.08605	25.2
85.06527	2.3
91.05471	11.8
93.07030	19.9
95.04951	2.0
95.08590	56.8
96.08932	1.0
97.06498	5.0
97.10145	11.7
99.08066	2.2
105.07005	9.3
105.34230	1.1
107.08575	10.3
109.06529	1.3
109.10146	22.7
111.08060	2.1
111.11703	2.2
111.92360	1.0
119.08527	6.0
120.00877	0.9
121.10117	9.6
122.85497	0.9
123.11686	10.8
125.09616	2.4
133.10101	7.6
135.11673	6.4
137.13225	4.4
139.11147	1.6
147.11646	4.7
149.13216	4.1
151.11194	1.5
151.14746	1.7
161.13239	4.4
163.14787	2.9
175.14839	3.4
177.16435	1.0
209.95796	1.2
245.22656	2.8
263.23669	3.8
291.76038	1.1
296.29782	1.0
337.27325	100.0
338.27563	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2732
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
50.01961	0.9
53.03929	2.9
55.01862	1.1
55.05505	34.1
57.03433	24.6
57.07071	5.1
59.67752	0.9
65.03931	2.4
66.80794	1.0
67.05499	77.5
68.05824	2.1
69.07062	45.2
70.35794	3.1
70.36173	2.0
71.04976	2.2
71.08614	3.2
79.05482	21.6
81.07047	80.2
82.07352	1.6
83.04969	2.0
83.08607	24.2
85.06537	2.3
91.05467	13.9
93.06493	1.7
93.07034	21.2
95.04947	2.2
95.08597	61.2
96.08932	1.2
97.06543	5.1
97.10160	11.7
99.08089	1.7
105.07031	8.4
106.21188	0.9
107.08584	10.7
109.06483	3.0
109.10146	28.3
111.08049	2.5
111.11707	3.1
113.09663	1.1
117.06981	1.3
119.08547	7.9
121.10135	8.3
123.08047	1.9
123.11688	9.3
125.09608	1.8
130.23457	1.0
133.10109	9.6
135.11681	5.0
137.09578	1.1
137.13248	4.1
147.11620	5.3
149.13287	3.1
151.14824	1.9
161.13235	3.8
163.14748	3.3
165.16441	1.5
165.71802	1.0
170.81708	0.9
175.14825	2.9
185.15994	0.9
189.16441	1.7
193.15773	1.0
207.17389	1.0
210.24408	1.0
225.23209	0.9
245.22626	4.2
263.23770	5.1
275.98157	1.0
332.01068	1.0
337.21194	3.7
337.27325	100.0
338.27637	6.0
358.27707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.273
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03947	2.5
54.49707	0.4
55.01863	1.4
55.05503	35.9
57.03431	26.0
57.07069	5.9
60.27003	0.4
65.03919	2.4
67.05495	84.0
68.05825	1.1
69.03411	0.4
69.07059	48.1
70.07388	1.0
70.88125	0.8
70.88462	0.7
71.04990	2.6
71.08620	2.3
73.06517	0.4
79.05016	0.8
79.05482	18.8
81.07045	78.4
82.07380	1.3
83.04967	2.2
83.08607	22.5
84.08940	0.4
85.06516	2.3
85.10166	1.0
91.05466	14.5
93.07034	19.2
93.19779	0.4
94.07347	0.6
95.04948	1.1
95.08594	57.8
96.08927	0.9
97.06501	4.8
97.06993	0.5
97.10153	11.7
97.13992	0.4
99.08083	1.5
105.07014	9.1
107.08582	11.2
108.97935	0.4
109.06493	1.6
109.10139	21.1
111.08097	3.0
111.11687	2.6
113.09635	0.8
119.08570	8.8
121.10126	9.2
123.08072	1.0
123.11687	9.8
125.09630	1.8
130.14026	0.5
133.10121	8.0
135.11684	5.8
137.09576	1.2
137.13254	4.7
139.11182	1.2
143.87556	0.4
145.10048	0.5
147.11658	5.3
149.13243	3.2
151.11194	0.9
151.14798	1.4
153.12740	1.5
161.13239	5.1
163.14784	2.9
165.12801	0.6
165.16339	0.8
175.14832	3.1
177.16299	1.0
189.16393	1.1
207.17566	0.4
218.37363	0.4
245.22670	2.2
263.23703	4.8
308.89859	0.4
337.27316	100.0
338.27679	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	27.2
59.51982	7.3
66.20895	8.3
67.05493	39.7
67.05787	7.3
69.07073	49.7
69.91562	27.9
69.91975	18.3
71.04980	39.3
77.36116	7.8
79.05472	25.1
81.07048	70.7
83.08593	17.7
91.05457	42.9
93.07046	55.5
95.04934	21.7
95.08585	100.0
97.06477	8.5
103.05487	9.0
105.07004	77.2
107.08575	60.3
109.06468	17.3
109.10126	30.1
115.05341	10.8
117.06961	17.0
119.08573	97.1
121.10146	81.6
123.08039	15.8
123.11693	65.2
129.06946	11.0
131.08545	53.7
133.10115	51.2
135.08028	34.2
135.11652	10.8
137.09639	9.3
142.07770	19.5
143.08557	41.1
145.10123	67.8
147.08064	11.3
147.11650	21.9
149.13208	9.3
155.08543	16.4
156.09308	14.8
157.10094	57.4
159.11726	35.2
161.09578	37.4
161.13188	7.9
167.08536	12.4
168.09225	12.1
169.10112	33.1
170.10971	7.8
171.11647	27.1
173.13229	18.6
175.14777	18.0
177.16330	12.5
177.63074	8.3
181.10149	14.6
182.10866	24.6
183.11667	44.1
185.13174	18.2
187.14725	11.1
193.10143	9.2
195.11662	24.5
196.12424	12.6
197.13280	45.1
198.13702	8.4
199.14789	9.6
201.12659	13.1
201.16414	12.9
207.11853	12.5
209.13252	20.5
211.14659	17.5
213.12785	8.7
215.14265	13.8
221.13214	9.5
223.14810	16.4
249.16185	8.0
253.19453	18.1
254.20076	10.1
263.17883	11.7
267.20880	8.8
268.19824	7.1
272.23364	6.9
279.21063	22.0
281.19040	15.2
294.23532	12.2
309.06174	9.0
319.24185	12.2
337.25031	94.3
338.25775	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37740	1.4
53.03928	4.2
55.01857	11.9
55.05506	9.6
57.03194	1.5
57.03430	19.3
57.07063	1.3
57.67245	1.3
60.07979	1.3
65.03926	2.5
67.05493	40.7
69.03422	15.6
69.07059	100.0
70.01787	6.2
70.07389	1.6
71.04967	1.8
79.05480	63.9
81.03407	10.2
81.07043	34.5
83.04980	6.9
83.08611	3.8
85.06497	1.4
91.04912	2.4
91.05466	44.6
93.07031	34.6
95.04957	11.4
95.08591	25.9
97.02316	1.9
97.02885	21.7
97.06516	58.6
99.08037	1.7
103.03936	2.9
103.05472	1.3
105.07011	18.9
107.04939	14.2
107.08578	18.9
109.06497	6.2
109.10136	6.7
111.04388	2.5
111.08070	3.0
115.05380	1.6
117.06989	9.0
119.03396	6.4
119.08556	29.4
121.06490	5.9
121.10130	29.8
123.08060	7.4
125.05962	3.4
125.09561	1.6
128.06142	2.5
129.06963	7.4
131.08548	29.2
133.06535	3.1
133.10095	14.3
135.08035	7.2
135.11691	1.6
137.09576	5.9
139.07527	1.4
142.07774	1.8
143.07014	12.5
143.08556	9.2
145.06496	1.7
145.10094	7.0
147.08015	11.9
147.11639	4.8
149.09602	19.3
149.13242	1.3
151.07520	5.0
155.08537	2.6
157.10136	8.8
159.08047	1.7
159.11644	2.4
161.08099	1.8
161.09575	5.4
161.13275	1.8
163.07469	2.0
163.11104	1.2
165.06940	2.1
165.09117	4.5
167.08546	4.0
167.10683	1.5
169.10135	1.9
171.06427	3.7
173.13254	3.2
175.11212	1.6
175.14870	1.3
176.12007	1.8
177.09050	4.9
179.06853	1.3
181.06412	2.1
181.12476	1.2
183.08057	3.0
183.10185	1.9
185.13205	1.5
189.16356	5.9
195.08044	3.3
195.09958	1.8
197.05934	2.1
199.07440	1.6
199.14847	10.2
201.16476	1.9
209.09560	1.6
211.07553	8.0
213.05412	2.3
213.08969	2.1
217.15892	7.1
223.07552	3.2
225.05426	3.0
226.06172	5.7
227.14244	4.4
237.09045	2.9
239.06984	4.1
239.12764	4.7
240.07823	4.6
241.08557	43.3
241.10909	2.7
242.09041	2.0
245.15367	9.9
251.06879	1.4
263.16418	4.1
293.11716	2.2
319.13348	2.8
319.18985	4.6
337.14267	39.7
337.20026	33.6
337.25568	1.8
338.14542	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.1
55.01867	3.5
55.05506	19.2
55.05756	0.7
57.03406	1.7
57.07055	1.0
59.04973	0.7
60.08152	3.5
60.52359	0.5
61.25077	0.5
65.03912	1.7
67.05498	43.8
69.03403	1.1
69.07061	13.3
70.23483	2.3
71.04981	2.6
71.46102	0.5
73.02587	0.7
73.02911	7.5
79.05486	33.2
81.03388	0.7
81.07047	32.9
82.07341	0.6
83.04931	1.8
83.08613	6.9
85.02887	0.9
85.06522	1.4
86.09697	1.1
91.04937	1.0
91.05479	18.9
91.99802	0.6
93.04279	0.5
93.07034	36.4
94.07386	0.8
95.04940	3.3
95.08011	1.3
95.08596	23.6
96.08887	0.7
97.06474	1.8
97.10137	1.2
99.04444	17.1
99.08076	1.1
102.67113	0.6
104.81414	0.6
105.07015	11.6
107.08588	15.0
109.06474	1.0
109.10149	7.8
111.08090	0.9
113.05977	1.1
117.07014	4.0
119.08585	7.3
120.22376	0.6
121.10139	11.0
123.07991	1.1
123.11661	1.1
125.06007	0.7
125.09568	1.4
129.06989	0.6
131.08546	4.6
133.10109	5.4
135.11662	5.1
137.09598	0.7
143.08543	1.0
145.10130	3.6
147.11671	2.6
149.09583	1.3
149.13216	2.6
153.09042	0.8
159.11662	1.1
161.13194	1.1
171.11655	1.0
173.13303	1.3
181.12195	1.0
195.13765	1.0
215.17926	1.0
256.03516	0.6
272.27496	0.5
277.21597	100.0
278.22000	5.3
287.56763	0.5
336.28931	73.2
337.29385	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.1
53.89301	2.1
55.01867	30.3
55.05504	21.7
57.03432	25.3
57.07050	3.4
57.28874	2.1
65.03928	4.8
67.05499	50.8
69.03418	9.1
69.07055	25.6
69.94403	3.7
69.94820	10.0
79.05486	96.7
80.05796	2.4
81.03400	9.0
81.07045	99.4
82.07346	4.3
83.04977	10.5
83.08604	8.8
85.02895	3.3
85.06513	4.0
91.05470	48.4
93.07034	52.7
95.04958	25.3
95.08598	82.7
96.08926	2.2
97.02871	3.4
97.06518	64.8
97.10154	4.2
99.08080	5.2
103.03926	9.1
103.05457	9.7
105.07018	40.0
107.04943	38.0
107.08587	16.1
109.02905	2.6
109.06506	26.7
109.10146	7.5
111.04430	5.2
111.08056	10.7
111.99543	2.3
113.05952	2.8
113.09678	3.0
115.05428	5.4
117.07023	11.8
119.08582	26.6
121.06497	79.0
121.10156	10.7
123.04409	3.3
123.08053	49.0
125.05972	3.1
125.09634	4.8
127.07571	5.7
128.06236	5.5
129.05450	4.2
129.06992	12.0
131.04912	3.3
131.08516	15.1
133.06487	9.3
133.10095	17.9
134.25049	2.1
135.08025	12.0
135.11705	4.1
137.09634	4.3
139.07515	11.5
141.06992	6.9
141.09103	5.2
142.07742	4.6
143.08589	11.5
145.10080	8.2
147.04414	2.7
147.08067	11.8
147.11694	8.3
148.08823	2.9
149.05966	38.1
149.09604	8.2
151.07529	23.3
151.11101	3.2
152.06226	3.9
153.06973	5.4
153.09093	3.4
155.08600	5.7
157.05005	9.4
157.06483	3.6
157.10132	10.0
158.05998	14.5
159.07964	3.6
159.11687	5.2
161.02307	6.0
161.09599	14.0
163.07478	2.8
163.11191	4.4
165.06998	8.1
165.09097	5.6
167.07027	15.2
167.08525	7.3
169.06409	4.8
171.08037	2.8
171.11702	3.4
172.08864	2.5
173.02367	10.5
173.09581	3.3
173.13150	2.9
173.68494	2.4
175.11253	7.5
176.11966	33.4
179.10629	4.1
181.06435	6.9
183.08089	6.9
183.10155	44.1
183.11719	4.9
185.05965	2.8
185.09616	5.2
185.13246	3.1
187.03882	4.0
189.09155	4.0
195.08063	10.8
195.10178	7.6
197.05936	11.3
197.09756	2.4
197.11740	2.9
199.03915	8.2
199.14781	8.4
203.14279	3.6
211.07616	15.5
212.08174	5.3
213.05455	9.2
213.09064	3.5
217.15823	12.0
223.07509	9.3
225.05472	18.3
225.09071	4.6
225.11201	11.3
226.06178	9.7
227.06828	3.5
227.14287	7.4
235.07243	2.7
235.16951	6.5
237.09102	6.1
239.07060	9.8
240.07837	13.1
241.08577	67.7
241.10680	3.8
242.08989	6.9
245.15344	18.0
251.07109	3.1
255.95256	2.9
263.16495	12.5
291.13779	3.8
293.11691	2.9
309.14975	2.5
319.13156	12.7
319.18997	6.7
337.14294	100.0
337.20062	33.5
337.27625	2.6
338.14685	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65562	0.7
53.17366	0.6
55.01849	0.7
55.05517	1.1
57.03411	0.9
62.19245	0.5
65.50449	0.5
67.05486	2.6
69.07056	1.0
70.17422	2.7
79.05466	1.8
81.07041	2.4
83.08647	0.7
91.05464	4.1
93.07030	1.8
95.04903	0.7
95.08585	2.1
103.05396	0.7
105.07024	2.9
107.08537	0.6
109.10161	0.9
111.44526	0.5
115.05435	1.6
117.05746	6.8
117.06970	0.8
119.08537	1.5
130.06480	2.1
131.07309	1.6
132.08054	2.1
132.30753	0.7
134.05960	0.8
140.04799	0.7
140.06171	0.7
142.06511	1.2
143.07294	1.1
147.10402	1.3
148.07468	1.3
150.09152	4.7
154.06448	1.2
155.07256	0.8
156.08043	2.4
158.09663	1.7
160.11079	0.6
166.06514	15.8
167.07275	8.1
168.08043	2.6
170.09758	0.6
171.10381	1.4
180.07997	1.6
181.08870	1.0
182.09636	75.7
183.09982	1.9
184.11200	2.5
186.09154	0.6
192.08099	1.0
193.08832	1.2
194.09631	2.7
195.10362	0.8
206.09654	2.5
207.10471	1.7
208.07687	0.7
208.11185	4.4
209.11700	0.7
210.09137	0.6
210.12726	2.4
218.09608	2.1
220.11230	1.6
221.11945	1.3
222.09200	4.7
222.12753	7.1
223.10014	0.7
223.13509	1.1
224.14265	0.6
232.11186	1.7
234.12677	3.1
236.10707	1.7
236.14281	3.0
237.11412	1.4
238.12285	3.0
246.12790	0.9
247.13431	0.7
248.10635	0.8
250.12202	2.9
251.12920	0.8
252.13463	0.6
260.14133	0.7
264.13782	2.2
308.23813	0.7
309.13120	0.6
320.20135	0.9
336.23157	100.0
337.23755	5.2
337.27133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1075
Annotation	RD 01A7
Peak:m/z	Relative Intensity
50.03671	2.0
54.28363	2.1
55.01861	4.4
65.03912	2.4
67.05505	4.2
68.05005	5.8
69.03419	2.8
69.07058	2.8
69.57349	19.3
70.06577	6.3
72.08138	9.3
78.03783	2.9
83.04913	2.0
84.08125	3.2
85.02873	3.5
86.09697	2.8
91.05443	4.9
93.07101	2.6
95.04962	4.1
96.04485	66.5
105.07026	4.8
108.04462	12.9
110.06041	5.8
115.03864	3.1
115.46584	2.2
117.07044	3.2
120.08092	11.2
121.02904	4.8
121.17771	2.5
121.50520	2.1
122.05982	5.1
123.04419	5.7
124.03954	15.6
124.07572	2.9
126.55438	1.9
128.06215	3.7
131.07291	2.6
131.08519	4.2
133.10069	2.5
135.90918	2.3
136.03923	3.0
136.06149	6.9
137.05939	3.2
139.07524	3.1
143.08565	3.8
144.08144	2.9
145.06479	3.8
145.08734	2.6
146.09587	3.2
147.08000	2.1
150.05444	12.6
159.08058	5.1
160.07513	3.7
160.11189	4.0
161.74667	2.2
162.09100	9.7
164.03448	3.3
165.05432	6.7
168.06532	7.2
172.07579	4.8
173.08257	3.1
173.09615	3.1
174.09108	22.2
176.07117	2.7
176.10651	3.9
184.07666	2.7
186.09055	3.4
187.07539	9.4
188.07069	5.0
188.10693	10.8
189.09225	2.8
190.08585	21.3
198.09178	3.2
200.06984	3.7
201.07803	6.3
202.08646	12.0
204.06517	2.7
204.10216	4.1
204.96759	2.5
212.07129	4.4
214.08571	5.2
215.07016	9.1
215.08960	2.7
216.06737	3.9
216.10175	32.9
218.08133	35.0
219.14735	4.3
228.06578	3.7
230.07928	11.3
231.08853	2.8
232.09663	8.3
235.49748	2.2
244.09651	51.0
246.07581	33.2
258.07428	2.3
260.09158	15.8
262.10681	11.0
272.09158	53.3
277.09409	9.0
278.10156	17.0
288.08676	8.9
289.09601	3.9
290.10184	97.8
291.10544	2.2
300.08783	3.3
306.09705	100.0
307.09900	2.6
308.11328	10.2
312.66125	2.3
318.09387	4.7
319.09607	4.0
336.10712	4.4
337.10657	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.94964	1.6
53.03935	2.9
55.01859	2.1
55.05506	20.6
57.03431	23.8
57.07068	4.9
62.98471	1.7
65.03938	4.0
67.05495	99.5
69.07063	20.0
71.08642	2.4
71.09510	2.3
71.09844	3.5
79.05480	59.4
81.03451	2.1
81.07044	100.0
83.05009	3.4
83.08627	8.6
85.06548	3.0
91.05460	32.4
91.06015	2.0
93.07029	69.5
94.12785	1.5
95.04945	8.5
95.08591	80.2
97.06536	3.5
97.10161	3.7
99.08093	2.7
103.03948	1.9
105.07014	31.9
107.08583	42.7
109.06544	5.9
109.10138	32.9
111.08112	2.3
117.07011	10.6
119.08563	22.3
119.09258	1.9
121.10130	31.9
123.08098	3.4
123.11684	12.5
128.06250	1.7
129.05469	3.8
129.07021	4.4
131.08539	25.9
131.09410	2.4
133.10104	26.0
133.10997	2.1
135.08081	4.2
135.11668	19.1
137.09654	2.9
137.13274	5.2
143.08620	4.8
145.10132	17.6
147.10730	1.7
147.11671	11.3
149.09662	1.9
149.13228	8.8
151.14890	2.4
155.08633	3.0
157.10188	5.7
159.11679	13.8
161.09676	2.3
161.13229	9.4
163.11218	2.4
163.14751	9.2
169.10173	4.1
171.11774	5.1
173.13249	14.0
175.14850	4.3
177.16394	4.6
179.61909	2.1
183.11702	3.0
185.13213	3.1
187.14894	6.0
191.14355	2.2
195.11734	3.0
197.13371	2.0
199.14880	2.8
207.11682	1.7
217.19519	4.6
219.21204	2.5
221.13345	4.7
233.22719	2.8
235.14886	2.2
243.21019	18.8
245.22711	2.3
261.22070	14.5
277.19467	3.5
279.23279	2.2
317.24963	10.7
335.25970	88.2
336.26215	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03932	3.9
55.05505	21.7
57.03425	22.3
57.07060	2.5
65.03931	3.4
67.05495	100.0
69.07054	19.1
70.08363	1.8
71.04926	2.9
71.07017	4.9
74.49067	1.8
79.05484	40.0
81.07045	81.4
83.04961	3.3
83.08600	10.0
85.06536	2.2
91.05468	22.1
93.07030	54.4
95.04942	4.7
95.08588	67.7
97.06506	3.5
97.10133	4.1
97.46756	1.9
105.07010	12.5
107.08578	25.1
109.06454	2.5
109.10149	25.1
117.06975	3.7
119.08571	11.4
121.10118	19.6
123.07983	1.8
123.11667	8.2
131.08533	7.7
133.10106	7.7
135.11685	14.4
145.10123	7.5
147.11656	8.4
149.13226	7.5
159.11665	5.8
160.99162	2.5
161.13222	6.1
163.14804	3.1
173.13214	5.2
201.21988	1.9
223.16800	2.0
228.89421	2.3
236.31462	2.3
243.21114	2.0
251.50209	2.2
261.22128	7.3
314.44965	2.0
326.08295	2.1
335.07745	2.0
335.25748	81.1
336.26038	3.3
348.43051	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.01864	2.8
55.05503	28.3
57.03433	22.6
57.07072	6.9
58.83319	2.3
65.03937	3.8
67.05498	90.4
68.87241	3.0
69.03422	3.4
69.07063	32.8
70.44820	10.9
71.04989	17.0
75.24599	2.6
78.67204	2.6
79.05478	52.8
81.07047	100.0
81.63061	2.4
83.04942	2.6
83.08613	9.5
87.43645	2.2
91.05465	54.1
93.07037	82.7
94.07356	3.4
94.84894	2.3
95.04961	25.9
95.08603	69.4
97.06518	6.0
97.10149	5.2
103.05489	6.1
105.07021	75.5
107.08578	50.0
107.09232	4.2
109.06514	11.5
109.10148	32.5
111.08064	4.0
115.05416	6.6
116.06258	5.9
117.07010	15.2
117.89915	2.7
119.08571	76.3
119.09403	5.2
121.06481	3.5
121.10130	37.9
123.08067	8.3
123.11706	11.5
128.06190	8.4
129.05455	4.2
129.06990	11.4
130.07823	3.8
131.08563	69.0
133.10117	78.9
135.08076	11.2
135.11665	17.5
137.09636	5.7
141.06967	5.1
142.07784	14.5
143.08536	29.1
144.09302	5.9
145.10097	55.6
147.11668	16.1
149.09612	5.2
149.13283	9.0
155.08522	14.5
156.09352	13.0
157.10120	35.0
158.10931	12.9
159.11653	21.2
161.09616	9.5
161.13249	6.2
165.07071	3.7
167.08583	4.6
169.10110	14.6
170.10887	7.8
171.11676	29.3
173.13239	50.4
175.14844	11.7
179.08572	6.2
180.09338	4.3
181.10161	11.0
182.10896	5.1
183.11627	13.4
184.12456	3.1
185.13251	13.8
187.11313	3.4
187.14777	19.1
192.09351	3.7
193.10168	8.4
194.10909	5.6
195.11670	12.2
196.12431	5.0
197.13235	19.9
199.14790	20.7
206.10773	3.6
207.11682	11.0
208.12558	3.5
209.13271	10.8
211.14749	14.1
212.15622	9.9
213.12724	4.7
219.11745	4.7
220.12572	2.5
221.13170	14.1
222.13957	3.9
223.14833	9.3
225.16254	3.1
227.14522	2.9
233.13074	4.1
235.14842	9.3
237.16315	6.3
241.15880	2.8
243.20993	4.9
247.14709	5.4
251.17973	5.4
261.16446	3.6
261.22104	7.9
265.19446	3.5
275.17526	2.6
277.19522	11.4
279.17548	4.1
292.21744	3.7
317.22598	4.1
335.26306	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69814	3.2
53.03943	6.2
55.05500	21.3
57.03428	24.1
57.07066	4.8
67.05499	96.6
68.95663	3.5
69.07066	28.4
70.97157	10.6
71.04980	16.1
77.78581	3.0
79.05482	61.0
81.06602	6.6
81.07050	100.0
81.07531	5.1
83.04967	7.4
83.08611	8.4
85.06538	7.0
88.96156	2.9
91.05463	50.3
93.07034	83.0
95.04971	17.8
95.08600	90.8
97.06538	6.9
97.10159	3.2
98.98428	3.2
105.07016	69.7
107.08582	58.3
109.06499	9.1
109.10135	41.3
111.08075	4.7
115.05450	6.6
115.83977	3.0
116.06223	5.5
117.07003	20.7
119.08561	71.3
120.40685	3.2
121.06445	3.0
121.10136	50.1
123.08028	4.8
123.11703	12.0
128.06235	7.7
129.05400	4.4
129.06985	11.8
130.07800	5.2
131.08563	39.7
133.10124	48.0
135.08009	14.3
135.11682	20.1
137.13226	4.1
141.06973	7.2
142.07800	9.0
143.08528	22.3
145.10124	45.1
147.08057	4.5
147.11676	16.4
149.09566	4.8
149.13289	8.8
155.08528	14.9
156.09319	12.0
157.10081	35.9
158.10913	6.1
159.11674	24.5
161.09590	7.4
161.13248	8.2
163.11148	4.5
163.14798	4.2
165.06969	4.6
167.08546	7.6
169.10104	13.7
170.10829	3.4
171.11685	24.2
173.09583	3.4
173.13249	36.4
174.80675	3.0
175.11238	4.2
175.14790	12.1
179.08588	5.6
180.09337	5.4
181.10089	7.7
182.10892	5.2
183.11671	13.8
185.13208	12.5
187.11249	4.1
187.14793	13.9
192.09357	3.3
193.10092	10.4
194.10948	6.8
195.11664	25.3
196.12413	4.8
197.13216	15.2
199.11174	3.3
199.14821	11.3
201.16396	4.2
206.10849	4.4
207.11658	13.8
207.13777	3.1
209.13225	19.7
211.14774	14.6
213.12729	7.8
213.16304	5.3
215.17659	3.6
221.13220	14.8
223.14818	8.5
227.14166	4.5
235.14799	8.0
237.16397	7.6
238.28067	3.4
243.21097	17.3
247.14799	4.0
249.16376	5.7
251.17955	9.4
252.18587	10.0
255.17502	4.4
261.16330	8.0
261.22089	13.1
265.19577	7.9
277.19556	21.5
278.20120	4.1
279.17471	5.6
293.22287	3.8
294.97449	4.2
317.22192	15.4
328.88925	3.4
335.22888	84.6
335.26187	32.3
336.23953	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.8
57.03429	20.8
57.07067	100.0
61.02924	4.8
67.05492	4.3
68.76072	2.0
69.03429	9.8
70.03746	8.6
70.06589	2.6
70.38280	1.9
71.01340	19.5
72.08111	2.0
73.02907	31.5
73.42019	1.8
75.04449	3.9
79.05509	2.7
79.25360	1.8
81.03403	5.7
83.01324	3.5
84.08128	3.3
85.02894	55.9
85.06533	92.6
86.09683	2.8
87.76467	1.9
88.16985	1.9
91.05484	8.4
95.01302	16.0
95.04945	3.4
95.08616	2.8
97.02887	17.1
98.20705	2.6
99.00800	8.0
101.02342	6.7
103.03931	7.8
103.07556	15.9
107.08586	2.3
108.86491	2.0
113.02368	21.5
119.08498	2.4
120.08089	3.5
131.03391	15.4
136.06108	2.8
136.07626	2.1
136.52983	2.3
138.05569	2.2
141.01799	27.9
155.03015	1.9
159.02887	7.5
159.06541	2.9
159.10147	71.3
169.04912	4.2
174.90993	2.3
177.11273	4.1
187.06084	2.4
197.04382	2.2
201.11284	3.0
215.05453	5.0
243.08191	2.6
244.09441	2.4
271.10883	2.1
289.11844	3.8
296.29285	2.2
299.10599	8.0
317.11505	14.7
318.10104	2.6
335.12610	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63626	0.4
55.05508	2.0
56.25097	0.4
56.96561	0.8
57.03430	0.5
67.05500	4.4
69.07059	1.9
71.75239	0.5
79.05495	2.6
81.07040	4.3
83.04978	0.4
83.08612	1.1
91.05486	2.4
93.07035	3.8
95.04962	1.1
95.08594	3.0
105.07024	2.2
107.08584	2.3
108.87811	0.4
109.06493	0.4
109.10130	1.7
119.08582	2.1
121.10128	1.4
123.11691	0.5
131.08543	1.9
133.10089	1.8
135.08023	0.5
135.11673	0.7
143.08566	0.6
145.10150	0.9
147.11664	1.1
149.09537	0.6
149.13232	0.7
157.10094	0.9
159.11659	1.0
165.12692	0.5
169.10075	0.6
173.13199	1.0
181.10121	0.5
185.13374	0.5
195.09943	1.6
195.11607	0.6
207.11478	0.5
277.21643	4.7
294.24170	2.2
335.21887	100.0
336.21942	6.1
336.25409	2.8
336.28986	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74374	0.6
53.03945	0.8
55.01867	1.3
55.05490	1.2
67.05492	2.0
69.07058	1.0
70.06580	2.0
71.25205	0.7
71.74409	1.0
72.08112	0.7
79.05457	1.6
81.03414	2.0
81.07054	1.2
83.04948	1.1
84.04487	1.8
84.08126	1.3
85.02893	1.2
86.09702	1.5
91.05465	1.7
93.07006	1.2
94.06555	5.7
95.04932	1.7
95.08602	1.0
97.06528	1.7
98.98455	1.0
108.04482	4.1
109.02858	1.4
110.06011	1.6
120.04499	1.2
120.08051	1.5
121.06456	1.1
122.06015	11.7
123.05485	0.9
124.07567	2.3
131.08572	0.8
131.37968	0.7
134.06059	1.0
136.07523	1.3
138.05492	2.1
139.03842	1.0
144.08159	0.8
146.05997	1.3
147.11667	0.8
148.03937	2.3
150.05484	2.5
152.07048	2.5
158.09669	1.7
166.04968	7.1
168.06514	2.3
170.09622	1.2
173.07100	1.1
177.06647	1.3
183.09137	2.4
184.07558	1.5
184.09883	0.8
186.07745	1.8
186.09229	1.4
187.08649	2.6
189.06627	1.1
190.08806	1.0
197.10748	1.8
198.09184	1.7
199.08687	1.4
200.09302	1.8
200.10963	1.1
201.06622	1.0
201.10204	2.2
211.08678	6.3
212.07266	1.4
212.09416	5.6
213.10168	1.8
214.07202	5.8
215.08183	6.4
215.11667	3.9
216.10323	1.4
225.10170	4.8
226.08572	2.8
226.10695	0.9
227.08067	7.0
228.08896	2.4
229.05913	0.8
229.09705	7.7
230.08151	1.0
239.08113	5.2
240.06648	1.0
240.08899	20.8
241.09492	1.3
242.10252	0.9
243.07671	3.4
243.11264	15.0
244.09703	1.7
253.09688	9.0
254.08029	1.7
254.10455	2.3
255.11188	1.2
257.09192	8.5
258.10007	0.9
261.08749	1.1
271.10733	15.2
272.09085	3.6
275.10202	1.4
281.09152	1.9
286.09567	1.6
289.11914	7.3
291.13293	1.4
299.10226	91.7
300.08188	4.0
306.09808	1.2
317.11282	100.0
318.12000	1.9
335.12292	12.3
335.16257	1.0
336.10892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85149	4.5
56.96564	12.4
57.67432	4.7
61.42840	4.8
69.03395	4.6
70.19213	25.6
88.99157	6.3
97.02870	6.3
98.97527	8.3
100.02613	4.7
101.30331	5.0
107.00216	4.7
108.08128	6.4
113.03458	6.0
115.02457	5.4
116.98635	7.9
119.01914	17.3
121.01677	9.7
123.05531	9.3
127.40130	4.3
128.98618	10.0
131.01891	9.8
133.03394	6.8
135.03224	6.4
143.01871	9.9
145.03415	8.9
146.93738	4.9
146.99669	16.0
155.01894	10.8
157.03467	7.9
159.04919	6.1
161.02983	12.3
163.02792	5.1
165.00708	14.2
173.02985	12.1
188.29346	5.0
191.04187	4.8
203.03989	5.9
207.01859	5.7
221.05127	6.2
237.02856	7.6
245.05075	7.3
254.05765	5.9
275.06406	6.3
275.09756	5.5
293.10815	5.2
303.05658	18.9
334.47321	4.6
335.07385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	32.8
69.03421	5.5
70.98117	4.4
71.73566	2.3
81.03384	2.7
84.08121	3.4
84.96020	4.2
85.02906	3.9
86.09698	3.1
88.99152	6.2
97.02887	11.1
98.97564	11.3
101.00870	17.6
113.00820	5.4
114.12902	2.4
115.02444	7.4
116.98614	8.3
119.01913	59.6
123.05553	34.6
124.05871	2.6
127.03910	2.4
127.79014	2.3
128.98592	5.2
129.04004	2.9
131.01892	45.9
131.05534	9.8
132.30849	2.1
133.03409	11.5
134.56551	2.4
134.99641	6.9
135.03264	2.2
136.06155	5.3
137.02954	11.0
137.05989	3.1
143.01891	68.5
144.98123	6.8
145.03415	14.6
146.99620	13.1
147.05055	4.0
149.02890	7.2
149.06584	18.2
155.01857	42.5
155.03009	3.5
155.05489	4.9
156.02684	6.0
157.01512	2.8
157.03471	5.1
158.99615	2.8
159.05067	5.8
161.02940	100.0
162.03119	3.9
162.99150	8.9
163.02713	3.1
163.04578	3.8
165.00700	13.6
169.07144	2.6
173.02945	54.3
173.06584	47.6
173.08058	3.1
175.04524	6.1
177.00670	4.1
177.06084	8.8
184.04529	8.9
185.03043	4.7
185.04874	3.9
185.06573	53.4
187.08134	8.8
189.00681	2.9
190.98642	9.2
191.06113	3.1
191.07602	16.6
197.06638	2.4
199.08022	3.7
203.03978	15.1
203.07681	27.6
205.00081	13.3
208.99796	3.2
215.07596	16.5
217.09166	2.8
219.01775	5.8
221.05063	48.8
223.01233	20.9
226.05811	2.6
226.08975	2.8
227.07733	4.6
228.01675	2.6
232.99670	3.4
233.08618	3.9
234.99074	2.6
237.02795	9.8
239.06154	3.6
241.02362	2.5
244.06670	2.9
245.05154	8.8
245.08691	2.6
246.03015	2.8
247.01067	2.9
257.08688	13.5
259.01117	2.6
275.09772	82.2
276.09949	2.8
293.01761	2.3
293.10788	95.4
294.10934	4.7
307.06873	3.8
316.12354	7.3
335.02988	4.3
335.07306	3.8
335.11832	71.1
336.12024	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0735
Annotation	GroPIns
Peak:m/z	Relative Intensity
53.09557	4.1
58.42889	3.8
65.69550	3.2
78.77140	3.2
89.47473	3.2
90.99642	3.3
98.73299	3.9
109.71319	3.2
112.89610	11.2
143.01924	4.4
161.02875	5.7
229.98175	4.8
335.07394	100.0
335.10864	4.9
336.07599	4.8
357.07635	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05773	6.2
56.96555	34.0
57.58003	6.2
59.39656	5.2
62.44597	6.9
69.03407	15.7
70.06581	6.0
71.34972	6.4
71.73067	6.7
80.42799	6.0
84.08147	6.3
84.96002	9.7
85.02880	23.0
97.02872	31.0
98.97575	79.3
101.00880	9.0
103.02409	7.8
110.97552	17.7
115.42154	6.3
116.98605	62.2
119.01901	48.1
123.05540	60.0
127.03941	8.1
128.98579	16.2
130.08572	6.1
131.01917	35.0
131.05519	10.2
133.03432	10.5
134.99654	21.9
137.05954	5.8
143.00194	9.4
143.01866	28.0
145.00600	6.1
145.01695	14.5
145.03416	15.2
145.04819	6.3
146.99629	25.6
147.04982	7.0
149.06573	9.7
150.05206	6.2
155.01962	28.5
155.05655	6.9
158.99648	17.3
159.05127	8.2
161.01169	11.6
161.02919	50.9
163.02789	21.2
173.02994	29.5
173.06516	38.7
177.00722	27.0
185.06554	52.8
186.04372	11.7
187.02728	8.5
187.08206	9.9
189.00682	13.6
191.07651	23.9
203.04063	13.3
203.07608	36.4
204.05414	9.6
211.30869	6.8
215.07556	14.8
219.01688	49.9
221.05064	36.6
237.02806	100.0
255.03949	8.8
275.09787	80.5
289.05902	30.5
293.10803	85.2
297.11365	9.4
307.06973	64.7
335.07571	52.7
335.12115	64.7
353.07498	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.3
55.01857	5.3
55.05505	18.2
56.96571	16.1
57.03436	22.8
57.07068	2.6
65.03928	4.4
67.05500	100.0
69.07066	14.5
71.75683	4.6
71.95245	3.6
79.05487	61.1
81.06605	5.2
81.07049	73.5
83.08591	8.2
88.07661	3.7
91.05475	38.5
93.07040	56.2
93.07594	2.3
95.04944	11.4
95.08604	49.5
98.98463	43.1
105.07028	28.5
107.04941	3.1
107.08585	34.4
109.06516	5.7
109.10155	28.4
110.97581	3.5
117.07005	5.2
119.08575	22.5
121.10129	20.9
123.11722	6.8
128.98569	10.2
129.05447	23.6
129.06970	6.1
131.08565	7.9
133.10114	21.0
135.08069	3.4
135.11653	12.0
137.40868	2.7
143.08534	4.2
145.10120	7.5
146.99634	8.5
147.04408	6.0
147.11670	8.9
149.13237	3.6
159.11688	6.5
161.13205	6.4
162.42961	2.6
162.63782	2.5
165.41879	3.1
171.11697	5.4
175.14848	2.7
176.98891	5.8
185.13345	3.7
241.19666	3.5
315.16180	26.9
331.15839	3.6
333.17410	42.0
333.24359	52.5
333.31754	8.5
334.17703	4.0
334.24240	3.1
351.18179	7.4
356.18964	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
55.01863	5.6
55.05270	1.4
55.05509	21.2
56.96564	5.4
57.03150	1.4
57.03433	20.3
57.07057	2.2
65.03934	4.9
67.05499	100.0
68.91724	0.8
69.07068	17.1
70.48257	0.8
71.04986	1.5
71.95210	1.1
73.02910	2.2
77.00400	0.9
79.05486	55.0
80.05804	0.9
81.03419	1.4
81.07047	68.3
81.29374	1.0
82.51221	0.8
83.04961	2.6
83.08596	4.4
91.05471	35.8
93.07037	54.9
95.04972	6.5
95.08596	47.8
97.06526	1.1
97.10189	0.8
97.78606	0.9
98.98456	12.9
102.93510	0.9
103.03903	1.9
105.04522	1.5
105.07011	20.6
107.04967	1.1
107.08585	26.5
109.06556	2.2
109.10149	22.9
111.11732	1.0
117.07001	4.2
119.07732	1.3
119.08572	17.5
121.06464	1.3
121.10133	18.3
123.08030	1.2
123.11691	5.5
128.98601	1.7
129.05472	20.3
129.06934	1.8
131.00021	1.1
131.08546	5.5
133.10123	14.9
135.08070	1.7
135.11696	10.2
140.69516	1.0
145.10115	4.1
146.99615	3.2
147.04369	2.0
147.11667	7.3
149.09627	1.3
149.13278	3.1
149.58771	0.9
151.11246	1.2
157.10182	2.5
159.11685	3.6
161.13316	4.8
163.14856	1.3
171.11696	2.9
173.13338	1.7
174.99023	1.2
175.14720	1.9
185.13245	1.4
199.14764	1.6
213.16524	1.0
217.19531	2.6
231.21201	1.5
241.19437	2.3
259.20575	2.2
315.16245	6.1
333.13589	1.3
333.17444	11.0
333.24249	54.3
333.30182	3.2
334.17783	1.2
334.24457	2.1
351.18356	3.4
356.19141	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.6
57.07063	1.5
61.47208	0.7
65.13977	0.6
67.05508	3.1
69.07055	1.1
70.06576	1.5
71.54255	1.2
71.54591	0.7
77.00883	2.5
79.05479	2.3
81.07034	2.4
88.07606	1.7
91.05455	2.5
93.07026	1.7
95.01846	0.7
95.04975	1.1
95.08582	2.0
97.06485	0.8
98.98456	14.1
100.98893	1.1
105.07025	2.8
107.08580	1.7
109.10140	1.1
109.26900	0.6
113.48486	0.7
117.06969	0.9
119.08571	2.8
121.10174	1.1
123.11744	0.7
131.08586	1.0
133.10130	1.8
143.52133	0.6
145.10063	0.7
147.11775	0.8
149.02303	1.3
159.11723	0.7
161.09650	0.8
173.13290	0.8
175.14848	0.6
176.98895	0.9
185.13142	0.6
187.62018	0.9
193.05014	2.4
195.09894	1.6
196.62517	0.8
200.19992	0.7
207.10095	0.7
213.09628	1.1
215.11221	1.4
231.10764	2.6
245.12451	1.2
246.67064	0.8
271.28333	0.9
292.22720	0.8
302.24091	0.8
315.18051	1.3
333.20322	100.0
333.25589	3.5
333.31995	1.8
333.76157	1.4
334.20563	2.3
334.24011	1.5
345.75009	0.7
351.20160	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97756	0.6
54.37068	0.6
55.05506	1.2
57.07069	1.2
63.46319	0.6
63.88969	0.6
66.90827	0.7
67.05501	1.3
67.55854	0.6
68.28635	0.6
69.07067	1.0
71.47990	1.1
79.05468	1.6
81.07043	2.0
82.26115	0.7
91.05466	2.5
93.07039	1.9
95.08579	1.8
97.06501	0.8
98.98457	11.8
100.98882	1.0
105.07026	2.1
107.08564	1.5
109.10147	1.2
117.06942	0.7
119.08587	1.5
121.10119	1.3
133.10089	1.5
137.05988	1.0
159.11723	1.0
171.11690	0.9
173.13272	0.8
193.04906	1.0
333.20319	100.0
334.20563	2.0
334.24005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.9
59.17754	1.5
60.71345	1.5
64.21522	1.5
67.05479	5.3
69.07065	2.9
71.74699	2.1
79.05455	4.7
81.07030	6.2
83.08665	1.7
91.05460	6.4
93.07019	4.4
95.04937	3.4
95.08580	5.9
96.55704	1.5
97.06503	3.4
98.98460	29.1
100.98854	1.7
105.07013	12.1
107.08598	4.1
109.10155	3.0
119.08544	6.6
121.10122	4.1
123.08099	2.2
127.03895	2.8
128.95772	2.0
129.53615	1.6
131.08565	3.0
133.10126	5.4
135.08022	3.0
145.10057	2.0
147.04341	2.9
147.11670	2.3
157.10046	2.4
159.11658	2.8
161.13188	1.8
161.87602	1.6
171.11710	2.8
176.98894	3.7
206.02411	1.9
235.12981	2.5
331.02078	1.7
333.20313	100.0
333.23932	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1336
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03932	1.1
55.01841	0.6
56.96545	1.1
57.03421	1.5
58.13020	0.4
61.02907	2.2
65.03918	0.8
67.05488	2.7
69.03084	0.6
69.03423	6.4
71.04962	0.9
71.19022	0.8
72.97352	0.4
73.02893	2.7
79.05476	1.0
81.03405	1.8
81.07030	0.9
85.02891	7.6
87.04458	1.7
91.03953	0.9
92.04955	0.5
93.05753	1.1
94.74322	0.4
96.08104	1.2
97.02886	3.7
99.04399	0.5
105.74144	0.4
106.06531	4.7
108.08100	100.0
109.02846	1.6
109.08425	1.8
119.01891	0.8
123.06790	3.9
124.07574	15.0
127.03901	1.6
133.03389	0.6
134.05042	0.7
134.06003	9.3
136.07549	14.9
137.08302	0.6
145.04968	0.7
152.07042	70.3
153.07338	1.3
154.08623	1.6
161.02748	0.5
162.43130	0.4
170.08099	8.7
192.68463	0.5
213.37659	0.5
273.86230	0.5
314.12296	40.2
315.12592	2.5
332.13348	53.6
333.13675	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	1.7
70.23388	3.2
72.08158	0.7
81.04385	0.7
84.04473	1.1
84.08142	1.3
85.02889	1.4
86.09687	1.4
97.02879	1.3
98.98460	12.4
100.55742	0.7
116.07103	1.0
116.98627	0.8
120.08034	1.5
129.10258	1.2
130.06456	0.8
132.08107	0.8
136.07526	0.8
144.08092	1.1
162.05461	0.9
171.09935	2.0
176.98819	1.3
185.07074	1.0
186.96712	0.7
199.08592	0.9
200.07106	0.9
213.06659	0.8
213.10286	1.3
215.08218	1.0
227.08118	4.5
228.06624	1.4
228.08853	3.7
234.99049	2.1
241.09695	3.4
255.07623	1.5
256.05988	3.6
256.08435	4.8
259.10864	1.0
269.09207	2.5
289.11902	0.8
297.08560	2.3
298.07147	2.9
315.06000	1.5
315.09702	26.8
316.10178	0.9
333.06409	2.1
333.11301	3.7
333.15152	100.0
334.09286	1.2
334.15570	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.8
56.24821	1.4
57.03408	4.4
57.03685	1.2
57.07067	62.1
58.06571	1.5
58.07372	1.6
67.05488	14.3
68.76933	1.4
69.07062	9.2
70.06569	5.3
71.06905	2.1
71.08619	44.9
71.75314	2.1
75.04413	1.8
79.26778	1.3
81.07047	16.7
83.08604	16.9
85.06548	2.6
85.09674	1.5
85.10168	21.7
88.07619	8.5
89.07942	1.6
91.05478	4.2
93.06992	2.3
95.08003	1.5
95.08598	36.3
97.10158	8.8
98.98453	100.0
99.11676	2.0
100.98844	2.1
105.07000	2.3
106.08614	3.4
109.10136	17.2
111.11745	1.8
113.24301	1.3
116.99447	3.1
123.11684	7.1
137.13216	4.5
140.01027	3.6
151.14772	1.4
174.99149	2.7
175.03847	3.4
175.14790	1.9
176.98933	6.7
177.61427	1.2
180.68315	1.4
221.22702	1.7
239.23671	9.4
257.24756	3.8
292.94308	1.4
298.27158	1.6
313.27335	37.2
313.32877	3.7
331.18787	2.9
331.33926	53.7
332.33035	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
55.05516	10.7
55.05745	2.0
57.03440	3.5
57.07074	100.0
62.45372	1.5
65.45351	1.8
67.05499	27.0
69.07070	16.7
69.64221	7.6
69.64649	5.7
70.06586	1.8
71.08631	73.3
75.04479	3.6
79.05467	2.0
81.07051	36.5
82.44180	1.4
83.08620	24.0
85.10181	38.6
85.90005	1.4
88.07623	3.3
89.06037	2.2
95.08604	57.8
97.10163	14.6
98.98460	29.1
99.11735	1.9
103.07594	2.0
106.08676	1.7
109.10151	28.5
111.11693	4.3
123.11707	13.7
125.13313	2.6
137.13260	5.6
151.14917	1.7
165.16232	1.7
176.98984	1.6
217.79260	1.8
239.23692	17.1
248.79941	1.9
255.18057	1.6
257.24759	7.4
313.27353	63.3
313.32919	3.6
331.22400	2.3
331.33997	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2838
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
55.05266	1.8
55.05506	10.0
57.03433	6.5
57.07071	82.9
63.85765	1.4
67.05497	20.3
69.07061	15.1
70.79990	5.2
71.08625	58.5
75.04489	2.6
77.30414	1.6
79.05537	1.4
81.07046	23.8
83.04997	1.6
83.08607	23.1
85.06545	2.1
85.10172	30.7
87.82451	1.4
89.06036	1.7
93.07018	2.8
93.82803	1.5
95.08596	44.5
97.10183	9.2
98.98459	100.0
99.11719	2.0
100.98891	1.9
105.06976	2.1
109.10134	19.2
111.11713	3.3
116.99470	4.1
119.08585	2.3
123.11663	9.7
125.13264	2.2
137.13249	5.1
140.01073	2.7
174.99231	3.7
175.03860	3.2
176.98859	9.0
209.55292	1.7
221.22641	2.5
239.23643	15.4
257.24731	6.0
313.27356	45.9
325.86496	1.6
331.33798	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
55.05494	1.4
60.04526	0.8
65.03938	1.1
67.05499	1.8
70.06590	2.2
71.04956	1.0
71.49506	2.0
78.72829	0.8
79.05488	3.1
81.07027	2.8
84.08146	1.2
85.02890	0.9
86.09702	3.8
91.05463	22.9
93.06998	1.2
94.04166	2.3
95.04942	4.7
95.08569	0.8
98.98452	100.0
100.98884	2.7
103.05455	3.2
105.07018	3.8
107.04957	6.1
109.02872	0.9
109.06503	4.1
111.04462	1.3
115.05427	1.5
116.99493	3.2
117.03487	0.9
117.07012	2.1
119.04930	14.0
119.08562	0.9
120.08099	0.9
121.06466	4.5
122.03638	4.7
123.08080	2.4
125.05976	1.0
128.06149	4.1
129.06973	10.9
131.04912	6.6
131.08583	0.9
133.06525	1.4
134.03725	1.0
135.08028	3.7
136.05167	2.5
137.05954	59.5
141.06982	1.1
141.39441	0.8
143.04980	1.1
145.06464	3.5
147.04411	1.6
147.08037	1.3
149.05969	11.2
151.03888	2.5
151.07515	71.2
152.06226	3.2
152.07909	1.1
153.07002	1.5
154.07712	0.9
157.06467	10.4
161.05951	11.2
161.09615	2.9
162.05478	3.9
162.06700	1.5
163.07524	17.9
165.06955	9.7
165.09105	2.9
166.07773	2.5
167.08521	11.7
169.06453	1.4
173.12810	2.6
174.06760	4.0
174.76939	0.9
174.99219	3.6
175.03847	2.2
175.07562	3.6
176.98880	8.0
177.06929	1.5
177.09163	2.6
178.07756	5.1
179.08537	1.3
181.06467	2.7
181.10071	1.4
182.07240	3.2
183.08051	1.9
184.08841	1.1
187.07506	1.2
189.09082	25.4
192.09355	1.6
193.06541	4.4
193.08405	0.8
193.10110	5.0
194.07298	1.3
195.08023	17.4
196.08804	1.9
197.06003	3.6
197.09500	1.1
199.07538	1.3
201.12404	1.3
202.07828	1.1
203.08446	1.9
205.06458	1.5
206.07213	1.2
207.08163	1.8
207.10199	3.9
209.05986	2.2
209.09633	2.6
210.06721	7.7
211.07547	3.5
212.08261	3.2
219.07965	1.5
220.08763	1.4
221.06006	7.4
221.09535	9.0
223.07492	9.1
224.08366	4.0
225.08963	8.1
227.07079	2.0
227.10629	20.3
234.06718	1.5
237.05464	0.9
237.09105	2.8
238.06200	3.8
238.10030	1.4
239.06871	1.7
240.07803	2.7
241.08623	2.1
241.12227	1.6
246.94691	0.9
247.09639	1.7
249.09148	3.8
251.07072	1.0
252.07811	2.0
252.99728	1.3
253.08530	10.4
253.12202	8.6
255.10135	25.0
256.10690	1.0
267.10059	4.2
269.08157	3.7
269.11749	1.3
270.08981	1.5
272.10507	2.3
281.11639	4.9
284.10385	1.3
285.11166	13.0
287.12750	33.0
298.12079	1.0
299.12854	1.3
301.14267	1.4
313.03433	3.2
313.11749	0.9
313.14429	8.2
320.59192	0.9
331.09158	1.2
331.12817	2.3
331.15707	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
55.05497	0.4
55.49847	0.2
60.46587	0.2
62.27633	0.2
67.05499	0.4
69.03426	0.3
70.39449	0.2
71.05943	0.5
71.07765	0.2
73.25447	0.2
73.96450	0.2
79.05473	0.2
81.07041	0.5
84.08117	0.2
85.02867	0.3
85.06501	0.3
91.05465	0.4
93.07039	0.3
95.00162	0.2
95.04956	0.2
95.08604	0.3
97.02879	0.4
97.06496	0.4
98.98456	23.4
100.98869	0.3
102.35150	0.2
107.08532	0.2
111.04418	0.2
111.63923	0.2
116.99470	1.0
127.03860	0.3
131.08531	0.3
149.05957	0.2
169.07518	0.5
170.05975	0.9
171.06755	0.3
174.99203	0.9
175.03923	0.6
176.98882	1.7
177.05478	0.2
183.09172	0.5
184.06331	0.4
184.07629	2.4
185.07022	0.5
186.09157	0.3
193.07651	0.3
197.07089	8.6
198.07823	2.3
201.06606	0.4
211.08638	6.5
212.07184	0.5
212.09135	0.5
213.06528	0.3
213.10211	0.8
215.08234	0.4
225.06590	2.1
226.07349	5.4
227.03691	0.6
230.08228	0.2
239.08147	3.6
242.06013	0.7
243.07628	0.6
243.11221	0.8
244.08395	0.3
247.09612	0.4
254.06744	0.4
257.09241	1.4
258.07535	0.4
259.10760	0.3
262.96967	0.3
267.07629	1.0
271.07074	0.7
272.07886	5.7
285.08682	4.0
285.11935	0.4
286.09311	0.4
295.07190	0.5
303.13495	0.5
313.08200	2.3
313.11688	0.6
331.09198	100.0
332.09552	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
55.05234	0.7
55.05503	10.9
57.03437	0.7
57.07065	2.1
58.06603	0.7
67.05494	5.2
69.03413	1.0
69.07053	2.7
69.52979	5.8
69.53387	1.4
70.06578	0.8
71.08627	1.2
79.05488	4.5
81.07049	4.8
83.04961	1.5
83.08620	8.6
85.06515	0.8
87.04456	2.2
88.07645	1.8
91.05471	1.8
93.07018	3.5
94.04502	0.7
95.04995	1.1
95.08581	1.3
97.06531	0.7
97.10160	16.5
98.98457	100.0
99.08099	1.2
100.98893	1.4
101.06004	0.7
102.09158	0.6
105.07030	2.3
107.08594	5.0
109.06562	0.8
109.10171	1.7
116.99458	3.9
117.06947	0.9
118.76721	0.5
119.08572	1.6
121.10139	1.4
125.09619	12.9
133.10143	1.4
135.08034	1.6
135.11670	1.1
137.04883	0.6
137.06003	1.6
137.07025	1.2
140.01062	3.0
143.10596	1.1
145.10138	1.6
151.11176	1.3
153.09100	1.1
156.12221	0.7
157.10172	0.8
161.06035	0.7
161.13338	0.8
171.10199	1.9
174.99193	4.2
175.03899	1.0
176.98920	5.8
189.11197	27.5
209.14952	0.7
218.21172	1.1
247.09430	0.8
252.99579	0.6
259.20743	0.8
277.21609	11.1
295.22656	2.4
330.13498	1.4
330.30026	2.7
330.33661	4.0
331.15436	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81786	1.3
50.82013	1.2
55.01865	1.7
55.05505	8.9
57.03412	1.8
57.07054	3.1
58.38996	1.4
67.05495	24.0
69.03436	1.7
69.07061	10.5
70.06577	2.0
70.19277	2.6
70.19697	4.9
71.05011	2.1
71.08619	2.3
79.05489	11.4
81.03399	2.8
81.07047	20.8
83.04976	4.3
83.08608	4.9
85.06522	1.4
87.04463	5.8
88.07615	1.7
91.05483	6.6
93.07043	11.9
95.04957	3.1
95.08607	8.8
97.06524	3.1
97.10149	2.9
98.20828	1.6
98.98458	100.0
99.08105	1.9
100.98852	1.7
101.05963	2.2
105.07045	6.6
107.04914	2.3
107.08575	6.8
109.06499	1.9
109.10143	12.3
111.08032	1.6
116.99512	3.4
119.08583	6.6
121.10123	7.2
122.67978	1.5
123.08070	1.7
123.11691	3.0
125.09625	2.2
129.06985	1.6
131.08549	2.3
133.10176	1.8
134.50922	1.6
135.11723	1.6
137.09563	2.1
139.11171	5.5
147.11670	2.3
149.13290	1.7
154.12224	1.7
155.10680	5.0
157.09961	1.4
161.13266	2.6
165.12695	1.3
172.13303	3.9
173.11763	10.2
173.13139	2.1
174.99211	4.4
175.03888	1.4
176.98883	6.3
189.11169	1.4
193.12288	3.5
195.06512	4.4
211.13338	2.2
211.27711	1.3
212.44154	1.3
229.80441	1.6
233.08124	2.9
242.29971	1.3
270.27994	2.6
277.21637	12.3
295.22562	6.5
330.29941	8.9
330.33710	4.1
331.15250	1.6
331.18863	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19840	0.5
55.01878	0.7
55.05504	8.3
57.03419	0.6
59.52108	0.5
67.05499	3.1
68.71431	0.5
69.03420	1.7
69.07066	2.4
70.13750	0.5
70.47236	2.0
72.84771	0.5
72.90523	0.5
79.05484	5.4
81.07037	3.9
83.04970	1.5
83.08620	5.8
87.95749	0.5
91.05486	2.5
93.07053	2.8
95.04976	0.6
95.08585	1.8
95.39443	0.4
97.06522	4.5
97.10159	11.2
98.98457	100.0
100.98878	1.0
105.07009	2.8
105.18240	0.5
107.08585	14.5
109.06504	0.9
109.10113	1.3
111.08060	0.6
116.99480	3.6
117.06983	0.8
119.08568	1.4
121.10149	1.0
124.11193	0.6
125.09624	10.5
131.08533	0.8
133.10114	2.0
135.08080	0.9
135.11615	0.5
137.05934	0.7
140.01073	1.6
143.10684	0.7
145.10129	1.1
147.11653	1.0
149.09627	0.5
153.09169	0.9
157.10181	0.8
159.11699	0.7
173.13251	0.7
174.99182	8.8
175.99539	0.7
176.98886	3.4
189.11205	13.4
189.12820	1.0
195.02339	0.8
204.15051	0.5
229.04559	0.6
243.06667	1.4
252.99751	0.8
257.18948	1.2
275.20032	11.4
285.11319	0.9
313.02979	4.5
328.05286	5.1
329.05734	0.6
329.21106	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.9
55.90416	0.5
64.55687	0.5
67.05499	6.9
69.07049	2.4
70.54211	2.2
75.88612	0.6
78.29123	0.6
79.05474	5.3
81.03395	0.9
81.07052	4.7
83.04960	0.7
83.08611	1.3
84.72044	0.5
91.05478	3.9
93.07024	4.3
95.04951	1.8
95.08596	4.7
97.06512	1.2
97.10155	1.8
97.81918	0.5
98.21632	0.5
98.98453	100.0
100.98840	0.5
105.07005	3.2
107.08595	4.2
108.78664	0.6
109.10141	4.2
111.08092	0.9
116.81314	0.5
116.99483	3.2
117.07001	0.9
117.45899	0.5
119.08583	3.4
121.10120	3.0
125.09591	0.9
131.08574	1.4
133.10120	1.8
137.09612	1.8
145.10129	1.2
147.11684	0.7
149.09563	0.9
163.11116	0.6
166.35519	0.6
172.13379	1.1
173.11740	2.5
173.13177	0.9
174.99214	7.3
175.99551	0.6
176.98941	2.6
189.11221	0.9
252.99803	0.9
269.39041	0.6
275.20096	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01865	0.9
55.05505	3.5
55.05709	0.7
57.07065	1.6
57.35670	0.5
67.05495	7.9
69.03434	2.9
69.07059	7.5
71.04980	1.7
71.08641	0.9
77.01569	1.0
79.05492	3.2
81.03409	10.2
81.07043	15.3
83.08630	3.3
85.02880	0.8
85.06530	2.4
91.05470	2.2
93.07033	5.3
95.04977	1.1
95.08596	11.1
97.02870	1.1
97.06516	2.0
97.10165	0.6
98.98454	100.0
99.04454	1.4
99.08076	1.8
100.11231	0.7
105.07021	1.9
107.08587	4.8
109.02859	3.1
109.06501	0.9
109.10148	13.5
111.08030	2.7
111.11720	1.1
116.99501	3.5
119.08569	1.8
121.10143	3.4
123.11701	5.1
125.13302	0.5
126.78603	0.5
127.03902	2.2
131.04951	0.6
133.10114	0.6
135.08052	0.5
135.11649	1.8
137.05945	1.4
137.09592	14.7
137.13261	2.2
140.01042	1.1
147.11685	0.9
149.13258	1.9
155.10620	0.9
155.14244	1.1
163.14726	0.6
164.74284	0.5
165.09111	11.1
165.12700	0.8
166.09448	0.7
174.99205	13.2
175.00728	0.7
177.16237	0.6
183.13780	0.7
184.13289	0.7
201.11278	0.7
213.09264	0.8
231.55553	0.5
250.99997	1.2
271.91919	0.6
284.06766	0.6
291.26788	1.1
299.06088	0.6
309.27832	1.3
312.06442	0.8
327.08530	2.8
327.15121	2.0
327.19550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11491	2.7
53.03939	6.5
55.01863	3.8
55.05502	13.9
55.22062	3.0
57.03426	4.2
57.07059	8.1
63.40813	2.8
65.03937	3.2
67.05498	34.4
69.07066	17.1
69.55518	27.7
79.05484	25.3
81.03400	5.4
81.07040	37.4
83.04967	5.2
83.08602	7.3
85.06541	5.9
91.05469	45.7
93.07031	76.6
94.58839	2.9
95.04433	1.7
95.04957	86.5
95.08598	56.8
97.06506	17.0
98.98452	100.0
103.05464	8.1
105.07018	68.0
107.08582	49.1
109.06482	9.7
109.10165	21.8
115.05453	6.1
117.06998	16.6
119.08574	69.6
121.06487	24.2
121.10133	41.6
123.08058	12.7
123.11684	7.2
128.06221	8.1
129.07010	12.4
130.07771	5.1
131.08545	28.4
133.10120	52.6
135.08037	9.2
135.11655	18.6
137.09628	6.7
141.06961	4.1
142.07748	11.8
143.08559	24.1
144.09346	12.0
145.06499	4.3
145.10103	49.2
147.08075	5.5
147.11685	14.9
149.09584	10.1
149.13200	3.6
154.07732	3.6
155.08563	8.9
156.09383	7.0
157.10132	35.9
158.10823	5.2
159.08138	3.7
159.11693	47.3
161.09575	17.6
161.13309	9.5
165.06987	3.4
167.08539	3.1
168.09338	5.3
169.10052	20.5
171.11670	18.9
173.13239	16.9
174.99245	10.9
175.11151	5.6
175.14801	19.7
181.10085	8.8
183.11652	12.5
185.13293	10.9
187.11137	7.2
187.14809	17.3
189.16299	4.5
193.10080	4.4
195.11679	5.7
197.13246	13.5
199.14769	14.5
201.12915	3.7
201.16420	4.4
207.11682	4.1
209.13274	8.5
211.14835	9.3
213.16339	5.9
217.15929	7.5
221.13303	4.2
223.14758	4.2
225.16397	8.2
227.14288	3.8
229.15901	3.4
235.14771	5.2
253.19565	3.7
265.19580	7.4
309.21924	10.1
327.08249	3.4
327.23273	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.7
55.05492	16.5
57.03417	7.0
57.07055	8.2
59.48827	3.9
65.03898	3.6
67.05496	42.9
69.07053	24.2
70.59439	8.2
70.59840	6.6
71.05019	4.6
72.74955	3.9
73.18197	3.9
79.05489	26.7
81.03391	4.0
81.07046	42.9
83.04948	4.9
83.08596	5.8
85.06556	4.6
91.05476	57.0
93.07034	90.9
95.04957	100.0
95.08601	68.4
97.06522	20.7
98.98455	83.3
103.05427	5.3
105.07023	82.5
107.08581	53.5
109.06505	15.5
109.10165	27.8
117.07005	26.9
119.08567	89.3
121.06509	22.6
121.10145	47.7
123.08041	12.8
123.11689	11.9
123.87106	4.1
128.06212	5.9
129.06989	17.4
130.07791	9.8
131.08556	38.0
133.10109	55.3
135.08025	12.6
135.11626	18.7
137.09589	9.4
141.07010	5.4
142.07819	17.4
143.08563	33.1
144.09355	9.5
145.06519	4.3
145.10117	50.1
147.08012	4.2
147.11665	17.2
149.09608	8.4
149.13301	4.4
153.06975	6.5
155.08504	10.2
156.09325	7.8
157.10146	45.3
158.10846	10.3
159.08022	8.0
159.11693	52.6
161.09563	16.3
161.13261	10.1
163.14763	4.5
165.06978	7.4
167.08484	5.1
169.10162	21.3
171.11688	22.7
173.09560	7.7
173.13278	26.1
174.99191	8.5
175.14783	30.0
179.08516	5.9
181.10197	6.3
182.10718	5.2
183.11642	18.8
185.13216	12.8
187.11169	11.4
187.14734	17.1
193.10118	5.1
194.10820	5.1
195.11624	9.6
197.13268	12.5
199.14771	14.8
200.30467	3.9
201.12762	4.6
207.11636	6.6
209.13228	15.8
211.14804	12.5
213.16273	3.9
217.15770	6.2
221.13129	4.7
223.14804	5.6
225.16391	10.2
235.14894	5.5
309.22037	9.9
316.78397	3.9
327.07806	10.2
327.23196	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.216
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
53.03924	2.6
54.21707	1.1
55.01854	2.6
55.05505	22.5
57.03427	3.4
67.05502	16.6
69.03403	3.4
69.07046	6.2
69.92686	6.6
75.10960	1.1
77.10925	1.2
79.05479	16.8
81.03419	2.7
81.07042	14.7
83.04961	8.3
83.08605	16.7
91.05478	7.9
93.07030	14.8
95.04955	15.3
95.08587	17.0
97.06519	11.6
97.09576	1.4
97.10159	20.5
98.98453	100.0
105.07002	9.0
107.08576	8.9
109.06493	1.5
109.10124	4.7
111.08035	1.3
112.68418	1.0
116.99490	2.2
117.06989	2.3
119.08569	7.5
121.10118	7.3
123.08050	51.1
123.11711	6.0
125.09609	17.7
125.97908	1.1
129.06972	1.3
131.08540	3.6
133.10095	5.3
135.08054	2.9
137.09583	3.6
139.11142	3.1
143.08551	2.4
145.10074	3.6
147.08029	2.8
153.09076	1.8
159.11691	1.4
161.09590	1.7
163.11130	2.5
165.09119	8.0
169.12169	6.6
174.99199	10.9
183.10062	1.6
187.13268	11.2
189.11195	17.7
223.13211	2.0
249.18327	1.5
250.99982	1.9
255.17439	2.7
263.20065	4.0
273.18442	22.0
285.11569	1.4
291.19510	24.3
309.20520	6.9
327.15961	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1434
Annotation	(+)-Macrosphelide C
Peak:m/z	Relative Intensity
53.03930	4.5
53.73872	1.1
55.01852	4.6
55.05504	12.6
57.03411	1.8
57.07060	1.5
59.04991	7.4
65.03915	1.4
67.05191	1.9
67.05497	25.4
68.99771	2.9
69.03422	37.4
69.07059	21.3
69.74483	8.3
71.04974	2.7
79.05483	11.9
79.43110	1.4
81.03396	10.7
81.06599	2.0
81.07048	34.7
83.04502	2.0
83.04966	25.1
83.08610	10.9
85.02888	1.9
85.06535	9.9
87.00815	12.1
87.04439	4.7
91.05473	13.0
93.07029	79.7
94.07335	1.8
95.04951	11.5
95.08592	48.4
97.02870	2.1
97.06502	10.5
98.20609	1.3
98.98456	100.0
99.08066	5.1
101.05994	8.1
105.01818	1.6
105.04445	1.4
105.06997	6.2
107.04934	4.1
107.08578	18.8
109.02869	4.5
109.06495	12.7
109.09413	1.8
109.10145	27.8
111.04399	2.8
111.08070	28.5
113.06014	1.4
113.51599	1.3
115.03909	4.3
116.99491	1.5
117.06999	4.0
119.08585	8.6
119.09379	1.0
121.06487	26.7
121.10132	16.3
123.08047	5.1
123.11671	3.3
125.05952	4.6
127.03871	3.4
127.07556	2.4
129.05464	11.5
129.09100	11.1
131.08482	3.0
133.10081	11.1
135.08054	7.0
135.10733	1.9
135.11673	20.8
137.05943	5.6
137.09602	30.6
139.03873	3.8
139.07523	37.9
143.07051	7.4
144.09331	1.6
145.10072	2.2
149.05945	13.9
149.09630	2.9
149.13257	9.6
151.11163	25.1
153.05449	1.3
155.10649	2.1
157.08586	11.0
159.11682	15.8
163.07474	3.0
163.11185	3.0
165.09109	17.8
167.06987	4.4
168.06720	1.4
171.06490	3.0
172.08823	1.4
174.99187	9.5
177.11278	2.4
177.12730	25.1
183.10107	1.2
185.08072	3.8
195.13786	61.2
196.14085	1.3
205.12172	8.2
223.13251	21.3
241.14320	94.1
242.14612	2.8
250.99818	1.8
274.14716	1.4
309.13290	47.4
310.13669	2.1
327.04831	3.3
327.14328	49.2
328.14819	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02914	0.6
53.34035	0.5
55.01860	2.0
56.96557	1.4
57.03438	3.6
61.02912	1.6
69.03412	2.1
70.02942	7.1
70.06593	0.9
71.01331	1.1
71.73615	0.8
73.02904	2.2
82.99854	0.7
85.02902	3.9
87.04391	0.7
94.99828	0.6
97.02885	1.3
98.10425	0.6
98.97650	1.2
98.98457	38.9
99.07229	0.5
101.00868	7.0
102.04015	0.7
113.00854	5.4
113.03464	1.6
114.00917	0.5
115.02425	0.8
115.03883	1.3
116.98704	0.6
116.99507	1.5
119.01904	31.1
120.01981	1.0
125.65521	0.5
131.01886	28.0
132.01968	1.2
132.96567	0.8
133.03429	1.6
133.04941	1.9
135.00464	0.5
137.02953	6.6
142.03534	0.6
143.01880	4.7
145.03444	1.5
149.02939	4.1
152.06956	0.7
153.01378	1.1
154.03516	0.6
155.01875	8.6
155.03023	0.8
156.97458	2.3
157.03445	9.1
158.98148	0.7
161.02942	11.8
161.28177	0.5
167.01840	2.9
169.04495	0.7
170.02959	1.0
171.02480	22.9
172.02672	0.9
173.02937	18.8
173.04384	1.0
174.99321	3.9
175.04495	4.5
176.99272	1.1
179.04398	0.7
182.02969	1.8
185.02931	13.3
185.04471	1.0
186.03163	0.6
189.03555	100.0
190.03645	5.2
191.00650	0.6
191.03976	2.6
192.98706	1.8
194.04185	0.8
195.02518	4.1
195.04123	1.0
196.04597	0.9
198.98468	0.9
200.04095	0.9
203.03949	1.5
207.00407	1.3
207.02475	6.1
209.04192	1.0
212.05119	2.8
213.03542	53.0
214.03708	3.1
215.03897	5.3
216.98671	0.6
217.01955	0.8
224.96378	0.9
225.03531	27.5
226.03725	1.2
227.05093	4.8
231.04594	41.3
232.04695	2.2
232.96402	0.9
233.05040	19.3
234.05247	1.1
234.99724	0.8
236.05087	2.8
237.03526	4.7
242.97607	1.0
243.04619	8.5
244.04910	1.0
248.05191	0.9
249.03606	0.9
250.99867	1.1
254.06212	1.1
255.04611	11.4
256.06860	0.7
267.04556	4.1
269.29245	0.6
274.99515	0.9
285.05685	3.1
293.80551	0.5
302.98773	1.0
303.06567	2.6
303.75674	0.6
304.07007	0.6
310.08765	0.6
320.99878	1.2
322.14569	0.6
327.06686	47.6
328.06827	4.4
345.07587	3.7
346.04590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67214	1.6
56.96545	1.8
57.03415	1.5
60.68376	1.2
65.41775	1.2
69.03416	3.9
70.02930	2.4
71.39017	1.6
71.39383	1.3
73.02917	3.2
81.03391	4.0
83.06069	1.6
85.02903	2.2
96.00832	2.1
97.02882	32.6
97.03483	1.2
98.98458	29.5
101.00836	2.1
109.02872	3.4
113.03474	28.2
116.98608	3.8
119.01910	18.0
120.02006	1.5
121.01630	2.0
131.01892	1.8
133.87555	1.4
134.99622	2.7
137.02943	6.3
139.02704	1.5
142.03496	2.7
156.97482	3.9
157.97499	3.1
158.97217	4.4
160.04530	2.9
174.99051	3.0
175.98584	4.7
176.98282	5.9
177.00917	17.1
178.01141	7.5
179.00722	3.9
183.06183	2.1
184.06421	1.9
198.98759	2.2
199.98608	2.0
200.98230	7.4
201.07263	1.9
202.07278	2.6
208.98645	1.6
214.99818	1.3
216.98773	1.3
218.03674	1.6
218.99823	2.2
219.01945	21.8
219.03856	2.8
219.99060	1.7
220.02100	10.9
221.01743	12.1
222.02032	2.2
223.01555	10.4
224.98422	2.6
225.00945	1.7
226.94717	1.6
228.97597	2.6
229.97473	1.9
234.99933	2.6
236.00069	12.8
236.99832	5.4
238.95387	1.6
241.99043	4.3
242.99332	6.5
243.02037	7.8
247.95538	3.5
248.45584	1.6
250.48138	2.3
254.01187	3.2
256.96588	7.3
257.96655	2.5
258.96622	3.3
258.99954	2.9
259.97522	2.6
260.00104	22.8
260.04364	2.8
260.97034	8.2
260.99988	5.9
261.03003	76.9
262.03119	18.7
263.02979	5.8
265.99390	4.1
267.70398	1.4
268.95541	5.1
269.45517	3.2
270.48651	1.5
270.98694	2.0
271.48648	4.7
271.98560	4.9
272.41711	1.4
274.97839	1.6
276.92035	7.3
277.01004	6.2
278.01157	21.9
279.00815	8.6
280.96252	2.4
282.99854	10.0
284.00122	57.3
284.06766	3.2
284.99799	19.5
285.04727	1.5
294.93112	6.5
296.93286	1.9
301.00943	12.3
302.01141	100.0
302.97772	7.6
303.00906	31.1
303.04941	2.1
308.93600	3.2
308.97946	2.2
311.46185	5.7
311.96024	4.4
312.46344	3.0
317.93250	2.5
318.43680	3.2
318.93011	8.1
320.02383	6.5
320.44156	2.6
320.93726	2.1
321.02435	4.1
325.02744	5.1
326.01862	19.7
326.12155	1.8
329.44171	2.2
330.93304	3.0
344.02142	24.8
344.95178	1.7
345.01892	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2732
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03942	3.2
55.01851	2.4
55.05500	24.3
56.05809	2.4
57.03405	6.0
57.07064	15.6
59.04975	6.1
61.99639	2.6
67.05492	30.7
69.03410	9.9
69.06681	3.7
69.07059	70.6
71.04971	7.7
71.08627	10.9
79.05486	21.0
80.28922	2.4
81.03414	4.9
81.07043	100.0
81.64458	2.4
82.75980	2.3
83.04967	6.0
83.08609	28.5
85.06513	8.0
86.80030	2.1
87.04431	2.7
91.05466	14.8
93.07031	67.3
95.04952	10.6
95.08596	81.2
96.08955	2.5
97.06541	12.7
97.10158	12.0
99.08061	6.6
101.56346	2.1
105.07020	15.9
106.45132	2.4
107.04920	2.9
107.08575	30.6
109.06479	9.8
109.10128	40.8
111.08067	50.1
111.11684	5.9
119.08542	14.2
121.10137	38.3
123.08057	6.5
123.10866	3.7
123.11698	37.9
125.09571	10.9
131.08519	5.6
133.10124	8.8
135.07974	2.8
135.11676	20.4
137.05948	3.7
137.09592	2.9
137.13216	14.5
139.11134	18.1
142.58012	2.3
145.10144	6.2
147.11652	7.1
149.09604	5.2
149.13245	13.0
151.11136	6.5
151.14709	4.6
153.12711	6.3
157.12234	2.4
159.11665	5.1
161.13179	3.1
163.07584	2.8
163.11134	8.1
163.14798	4.0
167.14294	4.1
175.14812	4.5
177.05440	3.2
181.12233	5.3
191.17928	4.6
209.18977	9.8
217.19518	3.3
219.21068	2.4
221.68205	2.0
235.20546	4.3
238.86613	2.5
244.09612	2.9
261.61176	2.3
271.24146	5.7
289.25140	8.7
295.26334	3.7
307.26257	15.8
310.04672	3.3
325.07126	5.6
325.14304	5.5
325.27344	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2732
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
54.52106	2.8
55.01860	8.4
55.05500	20.6
57.03410	4.0
57.07063	7.9
67.05486	23.9
69.03421	10.3
69.07058	42.3
70.06583	3.6
71.04978	4.9
71.08630	4.0
71.74911	3.0
73.02954	2.8
79.05495	18.5
81.03410	5.8
81.07047	100.0
83.04966	7.5
83.08601	12.4
85.02876	4.8
85.06518	9.5
86.09705	3.2
91.05477	13.8
93.07032	47.6
95.04980	5.3
95.08596	44.9
96.08922	3.2
97.06518	18.2
97.10135	3.8
99.08048	4.0
100.11262	3.3
105.06991	17.0
107.04934	2.8
107.08585	53.3
109.02850	3.8
109.06493	9.9
109.10132	38.0
111.08071	55.9
111.11683	10.1
117.06979	5.2
118.55470	2.8
119.08571	12.1
121.10146	19.7
123.11703	26.4
125.09611	4.8
127.55418	2.4
131.08568	4.7
133.10101	20.8
135.04408	4.8
135.08006	6.3
135.11658	17.6
137.05988	5.0
137.09596	2.7
137.13254	11.2
139.11195	9.8
145.10059	7.0
147.11644	5.4
149.13246	5.7
151.07568	5.9
151.11153	33.0
152.92177	2.6
153.12700	19.8
154.21939	2.9
159.11716	5.3
161.13239	6.0
162.11961	2.9
163.03908	6.4
163.11194	6.8
165.12775	5.7
169.12265	8.1
175.14877	3.8
177.01836	6.4
181.12193	9.6
209.00833	3.6
225.69106	3.1
265.08917	2.9
265.12259	8.2
281.11667	2.5
282.05191	36.5
283.05640	4.7
289.25259	15.8
297.07315	5.6
307.26230	34.3
310.04660	46.1
311.05103	3.2
325.03482	5.8
325.06995	73.7
325.10794	5.8
325.14154	12.0
325.17697	3.8
325.21484	2.8
325.27557	6.4
326.03888	3.4
326.07288	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2734
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
52.17700	1.8
53.03939	5.9
53.67622	2.2
55.01858	6.9
55.05506	36.0
57.03424	6.6
57.07076	14.0
59.05010	5.4
65.03947	3.0
67.05500	36.6
69.03418	8.5
69.07060	72.5
69.53674	4.3
69.54095	15.5
70.06561	2.0
71.04987	11.2
71.08623	5.8
79.05489	27.7
81.03409	8.5
81.07048	100.0
83.04977	17.8
83.08619	26.3
84.08138	2.0
85.02896	2.6
85.06535	8.3
91.05478	19.3
93.07036	59.9
95.04945	15.6
95.08596	72.4
97.06524	27.3
97.10150	13.6
99.08084	5.1
105.07014	17.7
107.04955	4.3
107.08579	37.0
107.09244	3.6
108.08916	2.1
109.02863	2.7
109.06503	12.6
109.10149	43.2
111.08045	26.5
111.11700	10.4
113.05981	2.9
115.05502	2.0
115.07557	2.7
117.06991	4.1
119.08578	14.4
121.06503	4.5
121.10122	27.4
123.08062	4.0
123.11699	36.2
125.05959	2.6
125.09618	8.4
127.11172	3.0
129.06963	2.8
130.05040	2.0
131.08548	5.1
133.06477	2.0
133.10144	9.5
135.08029	7.9
135.11694	23.0
137.05981	5.9
137.09610	2.3
137.13239	14.8
139.11172	11.2
141.12730	2.1
143.08536	2.3
145.10127	8.1
147.11679	8.6
149.09575	3.2
149.13219	14.0
151.07547	2.7
153.12752	8.6
155.08577	2.5
159.11633	6.7
161.13235	4.7
163.07552	2.4
163.11163	4.3
163.14790	4.9
165.12819	3.0
167.10620	3.3
171.07954	2.7
173.05902	2.7
175.14890	5.0
177.12762	2.8
177.16360	3.8
181.12247	6.5
187.14798	2.8
191.17935	3.0
201.09100	4.6
205.19417	2.1
207.49907	2.0
209.19029	4.1
211.07654	2.8
213.39888	2.0
215.18045	1.9
221.05063	2.0
229.08609	2.7
233.15480	3.0
239.06874	3.1
244.09834	2.9
253.12234	2.2
271.24133	3.3
289.17880	2.2
289.25253	5.9
295.26144	3.0
307.26184	17.3
325.07086	2.3
325.10941	2.3
325.14087	12.1
325.21381	2.8
325.27460	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01862	2.6
55.05503	18.4
57.03424	8.5
57.07065	10.8
65.47894	2.4
67.05496	96.9
69.07069	15.3
70.29355	9.2
71.04973	9.6
71.08614	2.5
72.19720	2.2
79.05486	74.0
79.25243	2.3
80.95322	2.4
81.07048	100.0
83.04970	3.2
83.08607	10.6
83.44375	2.5
85.06526	8.0
91.05466	35.0
93.07035	94.0
95.04961	8.6
95.08595	55.2
96.38625	3.0
97.06526	4.3
97.10166	4.9
99.08064	13.0
105.07026	23.8
107.04952	4.0
107.08581	56.3
109.06494	6.8
109.10138	40.1
111.08060	4.6
113.09644	5.8
114.44006	2.6
115.02026	2.4
117.07015	16.4
118.97270	2.6
119.08565	19.5
121.10135	71.6
123.11699	29.8
125.09619	6.8
129.07071	2.9
131.08540	30.5
133.10109	29.2
135.08072	3.9
135.11674	73.2
137.09593	4.2
137.13231	6.4
139.11247	2.8
139.47513	2.7
145.10103	26.7
145.47903	2.5
147.11655	20.5
149.09590	3.2
149.13232	31.0
151.11162	4.9
159.11656	24.2
161.13239	7.3
163.11147	3.9
163.14763	4.5
173.13257	20.6
175.14816	3.4
187.14796	8.0
189.16379	3.9
191.49409	2.5
193.05377	2.4
205.15747	3.3
205.19476	15.8
215.17934	55.0
233.18985	92.6
307.22717	4.3
308.57571	2.4
325.23819	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01858	2.3
55.05504	14.9
57.03434	8.7
57.07068	6.4
65.03931	2.2
67.05495	100.0
69.07059	13.2
71.04990	5.9
75.04450	1.7
78.21976	1.4
79.05014	3.1
79.05482	60.7
81.07044	90.2
82.07368	1.7
83.04962	2.0
83.08604	7.5
85.06526	6.1
91.05467	26.3
93.07034	77.4
95.04974	7.1
95.08595	68.9
96.08929	1.7
97.06526	4.8
97.10186	2.7
98.20705	2.4
99.08076	5.1
100.72836	1.3
105.07016	22.9
107.08576	47.4
109.06509	3.4
109.10144	36.7
111.08073	3.4
113.09609	4.3
117.07000	11.6
119.08569	16.7
121.10126	48.7
123.08070	2.5
123.11691	24.8
125.09648	1.9
131.08553	24.7
133.10123	19.7
135.08026	2.4
135.11679	56.2
137.09593	3.1
137.13199	7.9
139.11186	3.1
142.07774	1.5
145.10097	19.7
147.11644	13.5
149.09605	4.4
149.13254	23.0
151.11203	2.2
157.10143	1.8
159.11690	19.3
161.13277	4.8
163.11148	2.8
163.14798	2.6
171.11705	3.2
173.13246	14.8
174.13591	1.4
175.14871	1.4
177.12720	2.0
187.14835	3.6
189.16309	2.2
198.07207	1.4
205.19490	13.9
211.84404	1.4
215.17926	43.8
216.18289	2.6
233.18974	62.4
234.19356	2.2
251.19945	6.2
307.22925	7.2
325.24033	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88736	1.8
53.03926	3.2
53.62463	1.9
55.01862	1.9
55.05505	14.1
57.03423	11.3
57.07064	8.0
65.03922	3.0
67.05495	96.4
67.56751	2.2
69.07065	16.2
70.07555	9.6
71.04980	5.4
73.23035	1.7
79.05475	63.1
81.07041	100.0
83.04999	1.9
83.08593	11.7
85.02878	2.4
85.06525	7.4
88.12273	2.0
91.05464	31.0
93.07027	73.0
95.04939	6.3
95.08591	69.2
97.06502	7.1
97.10147	2.1
98.62266	2.0
99.08083	4.9
105.07021	21.5
107.07898	3.4
107.08578	40.2
109.06493	4.6
109.10132	42.6
111.08066	2.9
112.96442	2.1
113.09626	4.2
117.06976	14.1
119.08550	14.7
120.23523	1.9
121.10123	55.4
123.11679	28.5
125.09639	3.5
129.05504	2.2
131.08545	27.5
133.10091	22.4
135.08092	3.2
135.11671	60.6
137.09563	3.2
137.13222	5.4
139.11137	3.1
145.10109	21.2
147.11658	15.3
149.09572	5.4
149.13210	25.6
151.11119	3.1
155.06912	1.9
159.11658	24.2
161.13246	4.6
163.11143	3.1
163.14841	2.7
173.13234	19.6
175.14876	2.3
177.12743	3.2
187.14812	4.8
189.16260	3.5
191.17876	2.3
205.15820	1.9
205.19484	16.7
215.17923	62.1
233.18971	76.3
233.21324	4.0
234.19302	2.1
251.20055	8.7
270.37274	2.0
307.22589	9.5
311.71231	2.0
325.23758	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01855	2.2
55.05503	14.7
57.03431	9.4
57.07067	7.0
59.04989	0.7
65.03936	2.4
67.05498	95.9
68.05823	1.1
69.03421	1.4
69.07060	13.1
71.04990	6.1
71.08616	1.4
71.74367	0.5
75.04482	1.5
76.08235	0.4
77.03915	0.6
79.05485	62.1
80.05817	0.9
81.03406	1.0
81.07047	100.0
82.07368	1.9
83.04959	2.9
83.08617	8.3
85.06541	5.7
91.05471	31.0
93.07034	78.3
94.07352	1.0
95.04968	8.9
95.08597	63.1
96.08929	1.1
97.06523	7.1
97.10162	2.7
99.08076	7.5
103.03941	1.7
105.07021	24.7
107.04947	1.0
107.08582	45.0
108.08884	0.8
109.06490	4.5
109.10146	38.4
110.10503	0.9
111.08099	3.4
111.11685	0.8
113.09671	3.2
115.05451	0.9
117.07008	12.7
119.07716	1.1
119.08568	21.6
120.08915	0.6
121.06480	1.0
121.10131	54.3
122.10492	0.7
123.08080	2.7
123.11695	25.4
125.09621	3.4
128.06204	1.4
129.05450	1.4
129.06999	2.3
130.07817	0.6
131.08553	25.4
133.10115	22.1
135.08076	2.8
135.11678	54.2
136.12000	1.7
137.09558	3.3
137.13242	7.3
139.11176	2.6
141.06972	0.5
142.07759	1.5
143.08546	3.2
145.10106	23.2
146.10466	0.7
147.08063	0.9
147.11668	15.0
147.12849	0.8
149.05830	0.5
149.09613	4.2
149.13242	26.7
151.11183	2.6
151.14803	0.8
153.12732	1.1
155.08516	1.6
155.33852	0.6
156.09360	1.0
157.10103	3.8
159.08081	0.7
159.11685	21.4
160.12000	1.0
161.09560	0.6
161.13240	5.0
163.11192	3.1
163.14798	1.3
165.12665	0.5
167.08542	0.7
167.10663	0.7
169.10141	1.3
171.11665	2.5
173.13237	16.2
175.14778	2.2
177.12766	3.4
179.08519	0.8
180.09282	0.8
181.10117	1.4
181.12117	0.7
183.11591	1.3
185.09641	1.9
185.13196	0.7
187.11197	0.6
187.14815	4.7
189.16368	2.9
191.14229	1.6
191.17914	1.9
193.10167	1.0
194.10789	0.9
195.11630	1.5
195.13788	0.8
197.13269	1.4
199.14767	0.6
201.12808	0.5
205.15950	2.3
205.19493	11.7
207.11647	1.4
208.12431	0.5
209.13191	2.0
211.14804	0.9
213.12793	0.7
215.17932	50.0
216.18312	2.3
220.67142	0.5
221.13252	1.0
223.14766	1.4
225.12729	0.6
227.14307	0.8
233.18980	68.1
234.19289	2.3
235.20699	0.6
237.16478	0.7
249.16280	0.7
251.14255	1.4
251.20078	5.9
268.77341	0.5
279.20807	0.8
289.19177	0.7
297.22183	0.8
307.19711	1.2
307.23102	8.5
325.14374	0.5
325.21051	2.3
325.24240	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.8
54.30036	1.7
55.01859	2.1
55.05503	19.6
57.03427	12.1
57.07057	7.9
65.03941	4.0
67.05499	97.5
69.07070	11.2
71.04979	7.2
71.66985	2.3
79.05483	69.3
80.50596	2.0
81.07047	100.0
81.60548	1.9
83.08603	8.2
85.06538	7.2
91.05461	32.3
93.07035	69.7
95.04952	5.9
95.08595	65.2
97.06487	5.3
97.10161	3.2
99.08089	8.6
105.07026	25.3
106.00594	1.9
107.08583	42.5
107.09308	2.2
109.06482	3.9
109.10136	44.0
113.09607	4.0
117.07010	12.3
119.08578	18.3
121.10130	45.8
123.11707	27.5
125.09628	1.9
131.08543	24.2
133.10103	20.6
135.08047	3.3
135.11673	52.0
135.83554	1.7
137.09573	3.3
137.13231	6.6
143.08615	2.1
145.10100	18.3
147.08023	2.3
147.11684	13.4
149.09647	4.0
149.13248	26.5
151.11189	4.1
153.12610	1.9
154.86501	2.0
159.11693	19.2
161.13223	3.6
163.11156	3.1
163.14864	2.3
173.13235	12.9
175.14880	2.0
177.12715	4.8
187.14825	3.0
202.69279	1.9
205.15887	2.9
205.19521	13.4
215.17934	49.2
233.18976	66.2
251.20081	7.0
307.22552	7.8
325.23865	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30103	2.1
53.03937	2.1
55.01860	2.2
55.05508	15.4
57.03423	6.2
57.07063	10.2
63.27705	1.9
65.03912	2.4
67.05129	3.2
67.05498	91.1
69.07056	12.8
70.51927	7.0
71.04980	5.8
79.05484	72.5
81.07047	100.0
83.04974	4.0
83.08601	9.0
85.06519	6.6
91.05466	30.9
93.07035	90.2
94.07362	2.7
95.04951	9.3
95.08594	61.0
97.06513	6.3
97.10184	1.8
99.08069	9.5
105.07027	25.1
107.08586	47.4
109.06496	3.8
109.10149	36.3
110.14841	1.9
111.08041	3.2
113.09670	3.0
117.07011	14.7
119.08563	19.6
121.10138	59.8
123.08060	2.6
123.11697	21.5
125.09613	4.6
125.58327	2.0
131.08549	29.5
133.10107	24.4
135.08086	2.5
135.11678	62.5
136.12013	3.0
137.09586	3.2
137.13220	4.7
139.11154	2.6
145.10129	21.1
147.11659	18.3
149.09599	4.0
149.13237	28.2
151.11194	2.2
155.46475	2.1
157.66258	2.0
159.11659	27.0
161.13275	4.0
163.11154	4.1
173.13223	16.6
175.14803	2.4
177.12692	3.2
187.14821	5.6
189.16374	2.2
193.04950	5.7
205.15860	2.2
205.19548	19.1
215.17918	59.4
233.18985	81.6
234.19353	2.7
251.20061	2.7
259.66528	2.0
307.22678	4.3
325.23511	19.2
325.27020	2.5
325.76273	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.01859	2.1
55.05502	15.7
55.42477	0.7
57.03427	8.5
57.07069	7.6
57.10020	0.8
62.83049	0.9
63.47567	0.7
65.03922	2.6
67.05495	95.8
68.05815	0.9
69.07057	12.0
69.57816	3.8
69.58244	3.4
71.04971	5.4
71.08622	1.0
77.03907	1.2
79.05482	55.2
81.07044	100.0
83.04971	1.9
83.08608	7.7
85.06528	6.6
91.05465	26.6
92.05752	0.8
93.07030	75.1
94.07352	0.9
95.04964	5.7
95.08593	65.2
97.06524	4.1
97.10137	2.7
98.20697	1.2
99.08079	7.0
103.03942	1.1
105.07018	20.4
107.08579	44.6
108.08875	1.1
109.06496	4.4
109.10139	36.0
109.40789	0.7
110.13624	0.7
111.08073	2.4
113.09637	4.1
117.07001	11.9
119.08561	16.9
120.94794	0.8
121.10123	52.5
122.10432	1.5
123.08057	2.7
123.11687	27.7
125.09595	3.1
129.05449	1.3
129.06989	1.4
130.07735	0.9
131.08542	23.7
133.10112	21.3
135.08058	1.6
135.11671	56.0
136.12044	1.4
137.09592	3.1
137.13220	6.6
139.11168	2.5
145.10101	19.9
146.10527	0.7
146.85812	0.8
147.11656	14.3
149.09554	3.7
149.13235	25.3
151.11183	1.7
157.10162	0.9
159.11670	20.1
161.13248	4.7
163.11185	2.6
163.14830	2.3
165.12743	1.0
173.13258	15.3
175.14833	1.8
177.12718	3.2
181.12125	1.3
187.14783	4.7
189.16385	2.9
191.14311	1.3
191.17969	2.1
191.88840	0.9
205.15846	1.9
205.19504	11.1
215.17923	52.6
216.18207	1.4
229.44972	0.9
233.18973	64.9
234.19344	2.3
241.43394	0.7
251.20030	7.6
307.22668	8.2
325.23752	16.4
333.05624	0.8
341.22650	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2271
Annotation	N-Acetylaspidospermidine
Peak:m/z	Relative Intensity
50.38666	0.6
53.03937	1.5
55.01859	1.9
55.05494	2.4
57.07067	0.9
67.05487	2.5
69.03442	0.8
69.04234	0.7
69.07059	1.7
70.26214	2.3
74.27383	0.7
77.64277	0.6
79.05483	6.9
79.64859	0.6
80.05002	1.5
81.03397	3.1
81.07029	3.7
83.04977	1.0
83.08613	1.3
91.05480	5.1
93.07035	4.9
94.06559	8.5
94.46222	0.6
95.04953	3.9
95.08596	2.8
96.08098	6.9
104.04953	0.9
105.07012	3.1
106.06538	4.7
107.04944	0.8
107.08582	2.9
108.08110	1.0
109.06496	0.7
109.10146	1.3
115.05466	1.9
117.05743	1.6
117.06982	1.8
118.06538	2.9
119.08557	2.7
120.08081	1.6
121.06766	1.1
121.07597	6.7
121.10155	1.2
122.06019	5.2
123.68138	0.8
128.06187	1.7
129.06985	2.1
130.06502	2.6
131.08565	0.9
132.08057	1.9
133.07602	1.6
133.10153	1.4
134.05995	2.2
134.08453	0.9
134.09538	0.7
135.08066	1.3
135.11690	1.2
137.09573	1.4
138.09113	2.0
141.06964	1.6
142.07739	0.7
143.07336	0.7
143.08583	1.5
144.07999	1.5
145.07602	2.4
145.08755	0.7
145.10091	1.8
146.08412	1.6
147.09158	2.2
153.06967	1.0
154.06506	0.9
154.07808	0.6
155.08553	2.2
156.08081	2.2
157.08882	0.9
157.10086	1.5
157.54616	0.6
158.09657	1.1
159.07977	1.3
159.09187	2.9
159.11739	0.8
160.07538	1.0
160.09923	1.6
161.09564	0.7
165.06943	1.2
165.12695	1.0
167.07254	3.3
168.08112	3.0
169.07590	0.7
169.10115	1.2
170.09619	2.1
171.09128	2.0
175.08656	5.0
178.15892	1.0
180.08134	3.4
181.08846	4.1
182.08456	1.1
182.09663	4.8
183.09135	4.1
184.07588	3.4
184.09926	3.6
185.10675	3.5
186.09222	0.9
188.14369	1.3
190.00035	0.7
194.09656	3.7
195.09145	1.7
196.09904	2.0
196.11417	0.7
197.10719	8.9
198.09132	5.4
198.11424	1.9
199.10110	0.7
199.12318	2.0
200.10854	0.9
207.09161	4.2
208.09917	2.0
209.10693	2.4
211.12288	7.7
212.10767	1.0
212.12860	0.8
220.09911	1.0
221.10686	6.3
222.11476	2.4
223.12274	2.0
225.10205	1.1
227.09486	0.8
227.11781	0.7
233.28227	0.6
235.12305	5.3
236.12833	1.5
237.19977	0.6
239.11761	1.4
241.13348	1.9
242.19078	1.3
249.13977	1.4
253.13400	1.1
256.20746	1.4
266.18954	6.3
270.08228	0.7
275.55203	0.7
281.20132	1.5
283.21674	18.8
283.92349	0.8
284.19791	4.2
301.68082	0.8
307.21631	2.2
325.22714	100.0
326.21286	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2158
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03923	5.6
55.01837	3.4
55.05510	13.9
57.03418	4.7
57.07052	12.5
61.40511	3.1
65.03896	3.5
66.63182	3.0
67.05495	69.4
67.81535	2.8
69.03416	5.4
69.07043	12.9
70.70146	8.8
70.70500	4.7
71.04977	7.0
71.08604	2.9
74.36539	2.9
79.05485	50.6
81.07044	74.7
83.04947	9.5
83.08585	9.1
85.02888	3.0
85.06544	5.6
88.07605	4.1
91.05456	37.4
93.07033	72.0
95.04398	3.8
95.04963	67.9
95.08596	50.1
97.06540	14.4
97.07024	2.8
97.10136	4.0
99.08047	5.0
105.07012	60.2
107.08581	46.1
109.06519	14.0
109.10144	39.2
111.08033	5.4
113.09626	3.7
117.07005	21.5
119.08574	43.7
119.46574	3.0
119.73238	3.0
121.06473	11.5
121.10118	42.0
123.08081	4.4
123.11684	15.8
125.09603	6.2
128.06195	6.9
129.07013	16.5
130.07718	7.8
131.08543	27.4
133.06424	3.4
133.10117	31.2
135.08026	10.1
135.11667	30.0
137.05917	3.0
137.09532	4.6
139.11118	4.2
141.06931	3.9
142.07744	19.2
143.08554	20.6
144.09296	7.2
145.06456	4.3
145.10103	43.7
147.08052	5.0
147.11673	15.2
149.02301	5.7
149.09558	6.5
149.13248	16.4
151.11136	4.7
153.06943	3.8
155.08533	13.8
156.09311	13.2
157.10110	35.9
158.10915	4.5
159.07993	7.5
159.11676	30.5
161.09586	8.4
161.13261	6.9
163.11174	6.1
165.06998	4.7
166.07750	4.0
167.08446	6.8
168.09319	4.3
169.10074	21.2
171.08022	3.9
171.11664	30.0
172.08801	3.1
173.09630	13.1
173.13239	15.1
175.11107	3.1
179.08524	8.3
180.09285	3.6
181.10081	13.6
181.12128	3.3
182.10779	7.5
183.11632	16.3
185.09615	4.2
185.13226	9.0
187.11119	12.1
187.14819	8.3
189.12712	5.6
192.09277	2.9
193.04929	13.3
193.10167	11.3
194.10809	4.2
195.11678	16.3
196.12424	5.3
197.13199	10.1
199.11151	6.7
199.14870	4.5
201.12828	3.7
203.14255	5.5
205.15770	3.2
205.19508	3.5
206.10837	4.2
207.11664	7.9
208.12404	10.3
209.13194	12.0
210.64056	6.4
211.11171	3.8
211.14818	8.8
213.12685	5.4
215.17943	26.5
219.11673	4.4
221.13205	7.7
223.11092	5.1
223.14810	25.7
224.65582	3.2
225.12721	7.3
225.16290	10.1
227.14264	3.2
233.13080	6.3
233.18967	32.6
234.13980	3.5
235.14674	3.8
237.12592	3.0
237.16313	5.4
241.15845	5.5
249.16328	9.1
251.14317	7.7
251.19987	3.2
255.17287	3.0
263.17935	2.7
267.17429	7.4
269.15262	9.7
279.21024	6.7
281.19061	5.5
297.21982	4.8
307.20245	18.0
316.68033	3.2
325.21552	100.0
325.25952	16.4
325.76343	8.0
326.22018	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.1
55.01859	7.5
55.05500	27.3
56.96572	6.6
57.03416	12.6
57.07068	7.3
65.05584	4.3
67.05497	32.5
69.03423	31.9
69.07064	39.1
69.69942	7.7
69.70347	27.6
71.04979	13.0
79.05477	37.7
81.03398	36.5
81.07041	45.1
83.04968	14.2
83.08607	21.7
85.02888	13.1
85.06535	8.9
91.05461	32.0
93.07027	77.6
95.04952	16.5
95.08601	37.2
97.02894	8.8
97.06509	58.3
97.10179	11.9
99.08086	5.6
103.51997	4.5
105.07011	39.3
107.08580	100.0
109.02871	13.2
109.06520	23.1
109.10120	32.5
111.04420	7.1
111.08070	24.1
117.07024	9.1
119.08565	17.9
121.06490	18.3
121.10115	34.4
123.04400	5.0
123.08041	7.4
123.11698	10.1
127.03848	9.5
128.06364	5.1
129.07039	7.5
130.07751	7.7
131.04962	5.5
131.08528	15.3
133.10139	19.5
134.99294	4.3
135.08055	16.8
135.11682	53.4
135.51321	4.4
137.05963	10.7
137.09587	6.8
139.11156	7.4
143.08606	8.3
145.10118	29.6
147.08026	5.2
147.11694	9.1
149.09607	8.4
149.13264	9.4
154.89073	5.1
155.00143	4.8
155.08559	4.9
157.10057	6.8
159.08049	5.0
163.03833	5.9
163.07503	6.9
163.11139	35.0
191.72247	5.0
201.09070	4.9
211.07712	5.1
229.08530	9.8
237.08723	5.4
281.11835	11.1
289.17801	10.9
297.11450	6.3
307.15393	10.3
307.26456	7.9
311.17609	5.8
325.06958	14.8
325.10776	8.1
325.14136	35.0
325.21796	11.1
325.27435	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2166
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03935	0.6
55.01859	0.9
55.05501	1.8
55.24268	0.5
57.03411	0.5
57.07077	0.5
64.93776	0.4
67.05492	5.4
69.07061	9.9
70.09803	1.0
70.10223	1.7
79.05493	4.9
81.03448	0.5
81.07043	9.2
83.04967	3.3
86.09693	100.0
87.10024	1.2
91.05464	9.4
93.07032	13.9
95.04958	2.8
95.08591	3.1
97.06515	1.4
98.21297	0.6
105.07017	14.3
107.04940	0.7
107.08585	3.6
109.06500	8.8
109.10133	2.4
111.08062	2.9
115.05434	0.5
117.06995	1.2
118.11065	0.4
119.08576	5.2
121.06487	0.7
121.10136	1.9
123.08086	0.8
123.11641	1.0
127.08814	0.4
128.03470	0.5
128.10693	5.4
128.11459	0.5
129.07004	1.4
131.08554	5.0
132.10184	31.2
133.06488	1.3
133.10106	17.7
134.10478	0.5
135.08014	1.1
135.11711	0.9
142.07768	0.5
145.10100	1.3
147.07997	0.6
147.11668	13.1
148.04047	0.5
148.12016	0.5
149.09619	1.8
149.13242	1.9
151.07568	3.1
151.11157	43.1
152.11522	0.8
156.10188	1.0
157.10124	0.4
159.37578	0.5
165.12732	2.0
175.11185	3.9
185.13223	0.6
193.12187	3.8
210.14850	0.5
215.18005	0.8
222.14836	0.8
233.19041	1.2
246.15666	0.6
260.20065	6.7
278.21118	30.0
279.21518	1.8
306.20602	5.7
324.21698	15.8
325.21881	1.0
334.91418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1952
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
51.02373	0.4
53.03931	0.9
55.01851	0.4
55.05487	0.6
56.96552	0.5
65.03973	0.3
67.05489	1.1
69.03423	0.4
69.07041	0.6
71.74342	0.4
79.05481	18.0
80.05762	0.4
81.03374	0.4
81.07033	1.0
90.18112	0.3
91.05457	1.1
93.07029	2.2
95.04961	1.5
95.08591	0.6
96.08906	0.3
97.06502	1.0
103.05453	39.1
103.78027	0.3
104.05774	0.4
105.06997	3.3
107.04935	22.6
107.08572	1.0
108.08922	0.3
109.10130	0.4
110.96546	0.4
112.01779	0.3
118.06523	5.5
119.08572	0.3
120.08936	0.4
121.06458	1.9
128.06213	0.5
131.03935	0.8
131.04909	12.7
132.08043	2.4
133.08839	1.3
133.10078	0.9
134.09595	0.9
135.11673	0.4
145.10077	0.3
146.09612	2.0
149.05936	1.0
160.11179	0.6
176.14320	50.3
177.14680	1.1
189.15155	0.3
232.17773	0.7
233.14090	0.7
280.13275	0.5
281.37778	0.4
284.37070	0.4
300.32492	0.3
324.19534	100.0
325.14404	0.8
325.19864	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2578
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
53.03925	2.9
55.05505	19.5
56.96539	2.0
57.03417	4.2
57.07076	10.3
65.03904	1.4
67.05177	2.5
67.05495	25.9
69.03442	7.6
69.07058	35.1
71.04973	3.3
71.08614	2.6
71.74529	2.3
77.61018	1.6
79.05479	20.0
81.03388	1.5
81.07049	100.0
83.04982	3.6
83.08603	6.9
84.08145	1.6
85.06527	6.8
91.05477	12.5
93.07030	21.2
95.04964	7.4
95.08598	43.5
97.06517	11.7
97.10162	31.4
99.08054	4.0
101.06018	1.7
105.07010	15.0
107.04974	2.3
107.08577	20.1
109.06496	10.4
109.10153	20.1
111.11730	10.0
119.08575	12.1
121.10135	18.6
123.08032	2.3
123.11698	89.1
124.12011	3.1
125.09628	1.8
129.06976	2.0
131.08549	3.8
132.57033	1.8
133.10150	14.5
135.04401	2.6
135.08034	2.2
135.11656	8.2
137.05945	7.4
137.13226	6.2
138.06319	6.2
139.11169	25.9
143.08557	3.9
145.10077	4.0
147.08102	1.5
147.11678	8.9
149.05978	4.7
149.09668	2.0
149.13254	14.3
151.07532	2.6
151.14777	4.4
157.10117	5.1
157.12222	16.6
159.11662	2.3
161.13261	4.5
163.11182	1.9
163.14810	3.1
165.12746	2.9
166.09895	1.5
171.11678	4.8
175.14828	3.1
181.12238	1.7
181.15895	1.6
185.13322	2.0
187.11052	1.9
189.08958	1.5
189.16409	3.0
203.12692	3.9
203.17958	5.7
209.70421	2.0
213.16402	4.8
231.17453	7.2
241.07796	1.5
249.18599	2.8
277.25220	1.8
287.23657	1.7
305.24747	14.0
319.16119	1.9
323.09219	2.5
323.12686	2.0
323.22437	3.3
323.25778	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2576
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03934	5.4
55.01872	3.1
55.05508	22.5
57.03426	10.1
57.07070	9.1
59.04997	4.5
65.03931	2.9
67.05498	40.6
69.03409	12.5
69.07060	79.1
69.65708	13.2
71.04968	5.9
79.05482	39.2
81.03397	3.2
81.07047	94.5
82.07418	2.2
83.04969	8.7
83.08595	12.2
85.06549	3.3
87.04482	3.6
91.05465	21.6
93.07034	99.1
95.04965	15.8
95.08598	100.0
97.06518	12.5
97.10160	9.3
99.08082	3.2
105.07030	26.5
107.04956	3.1
107.08582	41.6
109.06509	14.5
109.10146	39.5
111.08063	10.0
111.11689	9.9
117.07011	5.9
119.08578	13.3
121.10133	81.1
123.08022	11.6
123.11702	21.0
125.09609	11.9
125.36457	2.1
129.06995	4.2
131.08568	11.0
133.10091	19.4
135.04453	2.1
135.08041	3.1
135.11684	13.6
137.09581	10.1
137.13242	5.8
139.11169	25.9
141.09087	2.4
143.08609	2.5
145.10095	5.9
147.11668	8.6
148.91530	1.6
149.05931	3.5
149.09618	15.3
149.13261	11.3
151.07507	1.9
151.11182	8.2
151.14812	3.1
153.12688	3.4
155.10672	6.3
157.10147	3.1
157.12321	2.1
161.13284	5.5
161.24971	1.7
163.14899	3.6
165.12767	5.4
167.10669	25.3
169.08409	1.7
173.13226	3.3
175.11250	3.5
175.14815	4.3
179.10619	2.2
193.12357	2.2
193.15877	2.1
203.17992	2.0
207.17461	2.8
213.16443	2.7
217.19601	2.0
235.20486	3.3
237.14684	2.2
247.16850	1.7
259.24020	2.5
261.22299	1.9
267.92474	1.9
269.22717	4.3
287.23779	10.0
296.75854	2.0
305.24738	18.6
323.09018	2.5
323.18451	10.8
323.25812	43.1
324.06201	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2576
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03931	2.1
55.01864	3.1
55.05505	21.2
55.72477	1.3
56.90974	1.2
56.96556	2.0
57.03425	4.7
57.07066	7.0
59.04990	2.6
59.79942	1.1
60.11935	1.1
67.05497	35.0
69.03403	5.1
69.07057	36.1
69.61905	4.6
69.62330	6.8
71.04983	5.7
79.05481	19.3
81.03406	3.2
81.07042	100.0
82.07388	2.6
83.04971	8.0
83.08601	8.5
84.08957	1.2
85.06519	6.5
86.09715	11.6
91.05459	15.2
93.07030	41.2
94.39674	1.3
95.04945	14.4
95.08590	58.2
97.06509	10.4
97.10167	5.6
99.08086	5.4
105.07007	22.7
107.04973	1.6
107.08574	24.1
109.06512	13.8
109.10139	38.0
111.08064	13.0
111.11715	4.1
117.07022	2.5
119.04893	2.1
119.08543	14.1
121.06519	1.4
121.10135	33.2
123.08045	5.4
123.11686	40.7
124.12027	1.5
125.09621	3.8
127.07587	2.4
127.11181	2.8
127.86626	1.1
131.08536	5.1
132.10184	3.3
133.10110	13.3
133.94797	1.4
135.08113	1.5
135.11659	9.8
137.05984	2.8
137.09596	4.1
137.13246	7.2
137.16875	1.2
139.11157	7.0
139.65811	1.2
140.73492	1.0
141.12741	1.5
143.08543	3.1
145.10132	3.9
147.04428	1.8
147.08183	1.3
147.11664	12.0
148.92039	1.2
149.05975	1.8
149.09596	2.5
149.13248	6.9
149.66589	1.3
151.07492	1.4
151.11151	12.0
153.12747	2.1
157.10152	2.6
159.11656	5.0
161.05913	1.5
161.09602	1.8
161.13232	3.5
162.06773	1.5
163.11203	2.4
163.14801	2.5
165.12733	4.6
167.10646	7.0
173.13461	2.0
175.11163	1.6
175.14787	3.9
177.12680	1.6
177.16351	2.7
179.14265	2.0
183.13849	1.4
187.13278	1.9
187.14841	1.7
189.16339	1.8
191.14464	1.6
198.72334	1.1
203.08466	1.3
203.18059	1.6
213.16399	2.0
215.18085	1.5
229.95580	1.2
249.18542	1.2
258.37616	1.3
269.22653	1.7
278.21173	4.5
287.23685	6.1
291.10202	2.2
305.24777	14.0
323.05441	3.1
323.08969	1.4
323.12683	3.8
323.25790	26.7
324.05511	1.5
324.13297	1.4
324.22095	1.3
324.26117	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	13.7
54.46744	4.6
55.01861	7.1
55.05508	27.7
57.03433	34.7
57.07057	6.9
61.82485	4.7
67.05499	70.7
68.50623	4.5
69.03423	8.1
69.07062	46.6
71.04961	5.4
71.08598	6.2
71.74573	7.7
79.05486	74.2
81.03405	24.5
81.07047	77.9
83.04982	12.4
83.08612	12.5
85.06515	12.9
85.76579	5.6
91.05475	88.1
93.07037	81.4
95.04956	21.7
95.08595	38.9
97.06517	10.7
99.08076	15.4
105.07014	76.4
107.04949	6.4
107.08588	45.5
109.06488	11.4
109.10146	15.7
113.09818	4.5
117.07011	15.5
119.03400	17.6
119.08567	77.2
121.10141	53.1
123.08020	5.9
123.11681	9.1
129.06987	21.5
131.08563	26.9
133.06396	5.4
133.10112	100.0
134.10483	5.5
135.04436	7.5
135.08052	11.4
135.11682	37.2
143.08539	15.1
145.10118	36.7
147.11670	66.2
149.05959	12.7
149.09622	8.7
151.11182	29.9
157.10124	21.0
159.11644	16.4
160.00346	4.7
161.09647	8.2
161.13239	7.5
169.02620	7.7
170.23917	5.8
171.11694	19.7
173.13210	8.3
175.11230	7.2
185.13197	10.1
187.14851	11.6
189.16400	25.4
203.14252	8.1
203.17894	38.7
205.19530	7.3
207.11658	5.2
213.16409	61.4
225.14923	12.0
231.17448	65.3
249.18530	15.8
283.89664	5.7
284.48077	5.6
305.21048	14.4
323.15250	9.0
323.22165	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2576
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
53.03930	4.6
55.01858	5.5
55.05502	32.6
56.96548	2.9
57.03416	6.4
57.07064	6.6
59.04989	3.9
64.97639	1.8
65.03918	2.4
67.05495	48.4
69.03417	26.7
69.06679	4.3
69.07058	75.3
70.07347	2.3
71.04975	9.3
71.08611	3.4
71.75022	2.9
73.07998	1.9
79.05481	31.7
79.27790	2.3
80.64933	1.9
81.03393	9.4
81.07044	100.0
83.04965	9.1
83.08611	19.0
85.02908	3.8
85.06509	9.5
91.05470	22.2
93.07029	80.9
94.07331	2.3
95.04958	24.1
95.08592	81.9
97.02905	2.3
97.06535	14.9
97.10161	16.6
99.08071	2.7
105.07014	34.9
107.08575	45.8
109.02902	2.0
109.06509	21.9
109.10135	43.6
111.04406	2.4
111.07327	2.4
111.08071	47.9
111.11694	8.9
115.05431	3.1
117.07001	4.3
119.08563	23.5
121.06512	5.2
121.10126	57.2
123.08052	9.9
123.11694	35.6
125.09601	11.2
128.06171	2.5
129.06966	3.4
131.08533	8.1
133.10104	16.8
135.08096	3.4
135.11705	15.4
137.05913	3.7
137.09576	9.3
137.13235	7.2
139.07597	10.3
139.11160	20.9
143.08563	5.9
145.10101	6.4
147.08046	2.6
147.11655	15.7
149.05966	6.2
149.09587	6.6
149.13280	11.5
151.11125	5.9
153.12679	3.9
157.10117	5.1
157.12180	5.2
159.11667	5.0
161.09581	8.0
161.13220	3.4
163.11156	4.1
165.12779	7.1
167.10699	14.9
169.12170	3.1
173.13269	4.9
175.11205	2.4
175.14876	3.7
177.09074	3.9
179.10663	5.2
181.10184	2.1
181.12215	2.9
185.13272	2.5
246.64322	2.7
263.10651	2.2
269.22473	2.5
287.23645	5.5
291.10059	4.0
305.24725	16.1
323.05313	5.7
323.08868	2.4
323.18335	5.0
323.25861	29.9
323.93399	2.1
324.05911	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01861	3.1
55.05507	17.5
57.03421	10.9
57.07061	3.8
65.03940	2.1
67.05495	34.6
69.03419	2.1
69.07056	12.5
71.04990	4.1
71.75559	1.9
75.04478	2.7
77.03922	2.8
79.05482	69.6
81.07042	44.7
82.07378	1.2
83.04973	4.7
83.08606	7.9
85.06538	9.4
91.05466	63.5
93.07031	70.2
94.07360	2.2
95.04958	9.0
95.08592	33.0
97.06524	6.6
97.10177	2.9
99.08068	5.1
103.05444	28.2
105.07013	72.6
105.89327	1.2
107.04937	14.1
107.08578	43.2
109.06522	5.2
109.10136	13.1
111.04433	1.3
111.08078	2.9
113.09584	1.1
113.45654	1.3
115.05461	1.7
117.06976	13.5
118.06525	5.1
118.07278	1.3
119.04971	1.1
119.08562	71.9
120.08894	2.0
121.06506	4.4
121.10127	38.0
123.08047	3.1
123.11697	1.9
125.09633	1.4
127.07572	1.2
128.06239	3.3
129.05443	3.4
129.06989	13.0
130.07733	1.2
131.04889	6.6
131.08542	24.5
132.08110	1.4
133.10107	100.0
134.10452	4.2
135.08044	5.2
135.11670	35.6
137.09625	3.5
137.13266	2.2
142.07739	2.2
143.08536	14.5
145.10106	28.4
146.09593	1.5
147.07991	6.0
147.11664	71.8
148.12009	3.5
149.05936	2.3
149.09541	7.7
149.13225	7.3
151.11128	3.4
153.09079	1.6
157.10117	21.1
159.11650	11.1
161.09644	5.9
161.13234	8.2
163.11189	3.3
169.10098	2.7
171.11665	25.6
172.12215	1.7
173.13245	4.1
175.11151	7.6
175.14761	2.6
176.14331	32.0
185.13217	10.6
187.14781	12.1
188.15231	1.4
189.12714	4.5
189.16371	27.6
190.16670	1.4
193.12228	2.0
203.14262	4.6
203.17955	25.3
203.19861	1.7
204.18375	2.0
213.16356	71.8
214.16718	5.4
229.12346	1.7
231.17403	85.6
232.17737	6.1
249.18515	12.1
250.18816	1.5
262.29776	1.5
267.88153	1.2
283.06271	1.8
298.10474	1.2
305.17859	1.7
305.21133	7.1
323.18561	2.4
323.22205	33.5
324.19525	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55454	0.9
55.01860	3.9
55.05500	5.6
57.03431	24.0
57.07058	1.4
61.04038	0.9
62.06107	0.9
65.03921	2.0
67.05502	21.6
69.03421	1.9
69.07051	3.6
70.80747	2.3
70.81112	1.6
71.04966	3.6
79.05491	12.0
81.07050	12.1
83.04971	1.7
83.08617	1.5
83.31701	0.9
85.06532	29.4
91.05463	9.5
93.07033	11.4
95.04961	33.6
95.08609	4.8
97.06512	1.6
97.10146	1.7
105.07023	7.6
106.60520	1.2
107.04964	1.7
107.08565	6.6
109.06511	30.4
109.10110	2.1
111.04428	2.0
113.05996	100.0
114.06316	1.9
114.87686	1.0
116.06134	1.0
117.07008	5.6
119.08559	4.5
121.06448	2.4
121.10117	3.4
123.08038	1.4
129.07007	3.3
131.08540	7.1
133.06453	1.5
133.10100	3.5
135.08047	24.0
135.11655	3.3
137.09578	1.3
143.08531	2.1
145.10130	5.6
147.08054	1.4
147.11667	1.2
149.05927	1.6
149.09605	3.1
149.13226	1.5
157.10107	3.3
159.11662	2.8
161.09598	3.6
163.11180	1.9
165.09064	2.2
171.11697	2.9
173.13237	1.3
177.12659	1.6
181.12201	1.9
191.10713	1.8
199.14766	1.5
201.12727	1.7
213.56396	1.0
217.15816	7.0
245.19032	1.1
255.17488	2.4
273.18503	11.1
274.18680	1.2
291.19531	37.0
292.19946	1.9
305.20923	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01864	2.5
55.05508	13.8
57.03432	19.2
57.07059	3.7
59.61201	0.9
65.03922	1.4
65.94403	0.9
67.05497	20.1
67.06062	1.0
67.92651	1.0
69.03431	1.8
69.07059	10.1
70.93244	2.2
70.93615	1.9
71.04986	1.6
71.08625	100.0
72.08942	1.8
72.82671	1.0
75.07272	1.0
79.05489	21.2
81.03413	5.9
81.07047	38.1
83.04983	5.6
83.08601	7.2
85.02837	1.1
85.06513	2.8
86.09686	6.2
90.88277	1.0
91.05469	23.3
93.07037	17.2
95.04964	7.3
95.08593	10.2
95.16149	1.1
97.06521	5.1
97.10161	1.2
98.20723	1.1
99.08085	84.6
100.08395	1.2
103.03928	1.5
105.07023	11.6
107.04950	13.2
107.08580	10.5
109.06509	19.4
109.10166	6.0
109.10751	1.2
111.08088	2.1
117.06985	4.1
117.09088	3.1
119.03420	2.1
119.08583	10.0
121.06496	1.3
121.10134	7.9
123.08092	1.4
123.11674	1.6
125.09575	1.4
127.07538	5.8
127.11215	1.9
129.06998	3.9
131.08559	5.1
132.10214	2.2
133.10112	20.0
135.04404	1.8
135.08032	15.1
135.11650	4.2
137.09601	3.1
143.08565	3.6
145.10112	3.8
147.07971	1.7
147.11710	5.9
149.05992	2.5
149.09598	21.3
149.13217	1.3
151.11168	52.7
152.11534	1.4
153.12758	1.8
157.10097	2.9
159.11699	2.3
161.09627	4.0
161.13277	1.5
165.09218	1.2
167.10643	2.9
171.11661	1.9
173.11726	24.9
175.11180	2.2
183.10153	52.4
183.11523	1.8
185.13130	1.4
187.11215	1.2
189.16400	1.9
203.17940	4.9
213.16306	2.5
221.19032	2.4
223.14859	1.5
224.78482	1.1
231.17508	8.2
249.18492	10.8
323.22360	19.4
324.22018	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	12.3
53.04172	6.8
55.05492	20.3
57.03433	11.8
57.07059	9.0
57.58509	6.6
65.03947	7.0
67.05506	75.9
69.03412	6.5
69.07074	32.8
69.63056	36.4
69.63480	22.4
70.57119	6.4
71.04977	11.8
71.08617	9.0
74.06063	8.4
79.05484	76.0
81.07037	71.0
83.08597	16.5
85.06549	17.7
90.35269	6.8
91.05466	82.6
91.09435	7.3
93.07034	83.1
95.04946	12.7
95.08587	42.9
97.06515	34.0
97.10209	10.5
98.20702	13.6
99.08087	11.1
105.07018	87.3
107.08604	40.9
109.06492	16.3
109.10123	22.5
113.05936	7.6
117.06998	22.3
119.08564	68.9
121.06451	9.1
121.10141	38.4
123.08043	11.0
129.06966	22.2
131.08507	38.1
133.10109	100.0
135.04349	14.7
135.08089	9.8
135.11674	46.2
137.09634	8.3
143.08513	26.4
145.10124	40.9
147.08078	10.2
147.11670	90.6
149.05977	29.3
149.09579	9.9
149.13203	16.9
151.11172	14.7
153.81451	7.2
157.10110	23.3
159.11723	12.4
161.09543	7.3
161.13277	9.1
163.11153	9.3
165.40399	7.5
171.11647	40.9
173.13240	12.6
175.11159	13.7
176.14651	7.2
185.13258	11.0
189.16347	28.4
191.07047	9.9
203.17972	29.7
207.00163	7.3
213.16374	65.7
231.17378	92.0
232.17703	8.8
323.22116	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.9
53.85127	5.7
55.01869	17.7
55.05505	44.8
56.94550	5.8
57.03437	7.7
57.07059	10.1
67.05500	78.9
69.03439	12.1
69.07067	33.2
71.04996	7.1
71.08616	8.9
71.74997	6.9
79.05485	59.9
81.03415	8.3
81.07043	95.4
83.04968	47.8
83.08604	12.1
85.06518	13.9
91.05468	73.8
93.07040	76.1
94.61972	6.1
95.04950	24.9
95.08589	54.3
97.06520	15.4
99.08086	8.7
105.07015	72.1
107.04958	9.2
107.08580	54.2
109.06508	14.8
109.10133	55.7
111.08076	17.4
117.07027	19.3
119.08567	31.3
121.06496	11.0
121.10129	24.3
122.06851	5.8
123.08058	9.6
123.11709	16.3
129.06961	10.1
131.08594	25.6
133.06468	12.7
133.10121	100.0
135.04358	7.3
135.08026	17.4
135.11684	13.8
137.05882	7.7
137.09659	6.7
139.07552	13.8
143.08577	9.1
145.10117	22.7
147.08031	15.6
147.11694	8.3
149.05988	8.9
149.09583	11.7
151.07574	6.0
151.11160	74.3
153.09093	7.4
157.10181	11.8
159.08020	8.1
159.11699	8.3
161.09561	10.3
163.11169	9.1
171.08063	6.7
171.11583	9.8
175.11153	7.2
177.09135	16.7
179.10727	13.7
181.08687	7.4
183.13843	25.3
185.13344	6.8
227.18051	6.0
245.18968	23.8
263.19946	13.1
270.13712	7.2
273.18457	47.5
276.13953	6.3
291.19534	76.7
292.20151	7.0
305.20926	15.3
323.22275	54.1
330.99271	6.7
339.21832	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88833	0.2
56.96550	0.5
60.75692	0.2
63.40810	0.2
69.78795	1.3
81.03407	0.2
82.06616	0.2
97.02929	0.2
98.20785	0.4
98.97610	1.1
109.52608	0.2
116.98608	1.2
119.01912	2.0
121.13589	0.2
134.99617	1.2
137.02928	0.8
140.98875	0.3
141.99532	0.2
142.03406	0.2
146.56583	0.2
149.88910	0.2
153.00722	0.3
158.99902	0.7
177.00941	14.0
178.01007	0.9
179.00690	0.5
182.99817	1.7
200.02507	0.6
201.00917	4.2
202.01059	0.2
211.58524	0.2
214.95609	0.2
216.54575	0.2
218.03566	0.8
219.01990	100.0
220.02104	6.8
221.02132	0.9
224.02492	0.2
234.99829	0.4
236.99545	0.6
237.03023	0.3
238.95586	0.7
242.03600	7.4
243.04031	0.3
256.96585	7.7
257.96637	0.5
258.99820	0.9
260.00208	0.2
260.04657	1.0
261.03021	2.1
262.03088	0.6
262.95496	0.3
265.05106	0.3
274.94547	0.5
274.97607	3.0
276.04532	0.4
277.00864	0.9
278.01083	0.5
279.98145	1.6
280.96426	1.1
282.99930	0.3
297.99368	0.5
298.18549	0.4
298.97665	28.2
299.05435	2.0
299.18771	0.6
299.97760	1.6
301.01126	0.5
316.95370	0.5
316.98749	0.2
317.05960	0.3
321.99243	4.0
322.07321	0.4
322.99448	0.3
328.43747	0.3
340.01959	0.5
340.07776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40088	12.5
74.80434	2.9
94.93008	44.1
112.89591	16.2
119.01852	4.4
120.01995	6.8
138.03030	4.7
150.94716	3.0
170.07918	3.4
176.60419	2.8
190.01208	19.5
206.88583	8.6
220.03598	4.1
247.91292	3.9
248.03139	5.0
248.89627	90.6
262.64227	3.3
289.61829	3.0
322.05447	100.0
322.83014	3.3
323.05612	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	8.0
55.01855	15.5
55.05500	39.3
57.03416	10.6
60.80450	5.8
67.05500	86.2
69.03434	11.6
69.07059	29.4
70.21023	27.7
71.04958	7.5
78.24573	5.4
79.05492	59.5
81.03397	6.1
81.07045	100.0
81.07488	11.3
83.04977	23.3
83.08604	17.7
85.06544	7.1
89.42400	6.1
89.97899	6.0
91.05470	75.1
93.07038	79.0
93.13717	5.6
95.04984	18.0
95.08599	47.3
96.50562	5.4
97.06516	11.2
97.10128	15.4
98.21394	8.3
105.07006	56.2
107.04957	13.7
107.08590	60.4
109.06532	19.7
109.10140	37.0
111.04430	9.9
111.08086	14.2
113.22678	7.8
117.07021	11.5
119.08573	29.2
121.06524	19.8
121.10139	17.9
123.08025	9.8
123.11693	13.1
126.05399	5.2
129.06981	10.0
131.08553	22.2
133.06503	10.7
133.10121	83.3
135.04424	10.3
135.08017	16.2
135.11737	17.2
139.07567	12.8
141.06940	7.4
143.08525	14.5
145.10103	16.2
147.08072	17.3
147.11685	14.6
149.05988	9.6
149.09625	16.1
149.13240	7.5
151.07568	6.2
151.11171	56.3
157.10129	6.4
161.09631	20.0
171.11618	14.1
175.11217	10.7
179.10571	9.9
181.10187	6.0
181.22194	6.0
183.13831	18.9
189.12752	10.9
223.47028	5.8
245.19084	21.5
263.20065	19.3
273.18506	50.2
279.86215	6.1
291.19473	99.5
305.21097	9.7
323.22369	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01859	6.0
55.05502	34.8
57.03421	3.0
67.05494	22.9
69.03434	5.0
69.07061	19.7
69.70429	13.9
71.04980	2.8
79.05484	26.2
81.03416	5.0
81.07051	22.1
83.04977	5.5
83.08612	14.9
91.05453	15.9
91.75691	1.8
93.07030	21.4
95.04958	10.2
95.08591	12.2
97.06519	3.3
97.10146	30.8
98.21360	3.1
105.07036	13.5
106.07405	1.9
107.04966	5.2
107.08570	19.8
109.06504	5.1
109.10157	5.1
111.08085	5.3
117.07008	4.9
119.04939	4.7
119.08567	10.8
121.06487	3.2
121.10150	7.5
122.36561	1.9
123.08037	12.9
125.09615	26.6
129.06987	3.5
131.08566	4.7
133.10136	5.2
135.08006	10.2
135.11661	2.5
137.09616	4.5
143.08537	4.9
145.10117	6.5
147.08035	5.1
147.11650	6.5
149.05960	5.4
149.09604	2.9
153.09062	4.0
157.10069	2.2
157.12276	2.8
159.11664	4.1
161.09570	3.9
163.11163	4.8
165.09090	4.8
165.86211	2.0
173.13333	1.7
175.11044	2.7
176.68721	1.8
193.12192	2.4
203.12766	14.1
221.11592	3.0
223.13181	9.5
243.58801	2.0
245.19032	1.7
249.14891	2.2
273.18408	11.2
291.19504	100.0
292.19897	4.4
305.21039	25.1
323.22275	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.6
55.01851	4.9
55.05505	20.2
56.96569	1.2
57.03159	1.5
57.03432	24.6
57.07056	1.4
63.00814	2.2
65.03931	2.3
67.05498	39.9
69.03411	4.1
69.07062	20.9
70.19063	4.9
71.04961	5.8
73.06534	1.3
79.05485	100.0
81.03410	3.4
81.07049	33.4
83.04970	12.9
83.08602	4.8
91.05466	51.8
93.07031	77.5
95.04948	9.8
95.08595	20.1
97.06518	6.3
103.03898	1.8
105.07027	24.6
106.07347	1.6
107.04936	13.7
107.08582	40.4
109.06480	4.8
109.10122	7.8
111.08082	3.2
117.07001	15.4
119.03400	22.9
119.04932	1.1
119.08572	20.8
121.06508	1.9
121.10143	30.4
123.08012	2.5
123.11653	2.6
125.05955	1.8
128.06212	1.9
129.06958	4.3
131.08549	28.0
133.10114	22.9
135.08035	3.7
135.11676	9.9
137.09589	3.1
143.07042	7.0
143.08551	2.5
145.10109	22.0
147.11658	7.5
149.09596	25.8
155.07051	2.1
155.08472	1.7
159.11676	13.1
161.09528	1.8
161.13242	3.2
163.11139	1.8
169.10129	2.5
173.13274	4.0
175.14709	1.2
177.09045	1.6
185.13321	1.4
187.11075	1.8
201.16368	14.9
203.17952	4.0
211.14807	4.0
223.13255	8.9
229.15898	4.4
247.16977	2.1
303.19452	3.0
321.20630	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01857	2.7
55.05505	5.7
57.03432	7.7
57.07073	2.2
59.04988	4.0
62.63525	1.0
67.05502	12.6
69.03426	2.5
69.07059	8.3
71.04987	1.6
71.74248	1.3
79.05483	13.1
81.07045	16.7
83.04967	3.0
83.08613	2.6
85.06546	2.7
91.05479	12.5
93.07030	11.6
95.04954	6.2
95.08600	22.5
97.06520	6.6
99.04402	1.2
105.07017	15.9
107.04968	3.5
107.08578	14.0
109.06506	7.6
109.10130	10.9
109.38924	1.1
111.08092	2.5
117.07008	4.2
119.08578	13.2
121.06511	3.1
121.10119	6.3
122.07201	1.5
123.08060	39.9
123.11701	5.0
128.06235	1.2
129.06996	2.5
131.08554	10.2
132.95847	1.4
133.06496	3.7
133.10106	8.2
135.08040	10.9
135.11636	1.7
137.06007	7.9
137.09538	1.7
141.07039	1.6
141.09096	3.8
143.08556	3.0
145.06502	1.5
145.10126	8.7
147.08040	4.0
147.11664	5.6
149.09590	8.1
151.07527	100.0
155.08588	1.8
157.10138	4.8
159.08020	1.9
159.11694	4.0
161.09616	3.3
161.13156	1.8
163.11197	2.0
165.09093	3.5
167.08525	1.2
169.10158	1.4
171.11626	2.0
173.09679	2.0
173.13260	4.0
175.11179	5.5
177.09100	2.7
179.10695	2.5
183.11755	1.7
185.13100	1.4
187.11179	2.4
189.12726	25.8
191.10579	1.5
191.14291	9.2
192.11382	3.5
197.11717	4.2
201.12877	1.4
201.16368	2.9
207.13792	62.6
211.14957	1.4
223.09370	2.9
229.15826	2.8
233.15346	2.3
247.13326	3.0
247.16771	2.0
277.53085	1.3
285.18530	1.5
303.19574	4.0
303.22833	2.5
315.46140	1.2
321.16714	11.6
321.20572	43.7
321.24045	2.5
322.16873	1.3
322.20880	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.3
55.01861	15.4
55.05506	24.1
57.03435	15.8
67.05497	34.0
69.03418	5.0
69.07059	35.1
69.51344	16.7
70.06590	3.0
71.04984	4.9
79.05486	62.1
81.03403	11.2
81.07047	100.0
83.04973	7.8
83.08613	26.1
85.06538	2.8
86.09658	2.6
86.33727	1.9
86.74724	1.9
87.40376	1.8
91.05471	40.3
93.07032	41.2
95.04964	26.5
95.08604	21.5
97.06515	12.9
99.08064	2.9
105.04532	2.1
105.07020	30.4
107.04959	14.7
107.08589	32.0
109.02880	8.2
109.06509	60.4
109.10154	8.6
111.08061	7.0
115.05431	3.4
117.07005	20.0
119.08561	26.7
121.06501	7.0
121.10120	16.3
123.04466	2.8
123.08057	5.9
123.11672	3.2
125.09628	4.1
127.03902	2.2
128.55594	1.9
128.97623	2.1
129.05515	3.7
129.06999	5.3
131.08543	29.0
133.06470	3.2
133.10117	15.5
135.08037	19.3
135.11673	6.5
137.05991	2.7
137.09624	12.2
139.76608	2.1
141.06978	4.9
143.07076	2.7
143.08548	6.0
145.06538	3.8
145.10100	30.9
146.10452	3.1
147.08023	2.5
147.11679	8.3
149.09598	23.5
149.13191	2.4
151.07591	2.6
151.11169	6.0
155.08553	2.1
157.10159	3.5
159.08066	5.6
159.11693	10.0
161.09601	5.1
163.11221	5.6
165.09050	3.0
169.08621	10.9
169.10139	7.7
173.09656	3.7
173.13275	3.0
177.05449	2.6
177.09093	4.6
183.11592	4.0
185.11707	7.4
185.13239	4.5
187.11221	3.3
187.14816	9.2
189.05563	2.6
201.16284	12.6
203.03441	6.8
205.15819	1.9
209.72208	2.2
211.14807	9.6
212.21718	2.5
219.17555	4.2
222.02589	2.0
229.15887	21.2
247.16908	19.0
265.18042	2.6
303.19553	3.5
303.23056	2.9
306.05084	3.1
321.07730	16.9
321.11093	3.5
321.20517	37.9
321.23950	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.01868	11.7
55.05509	5.5
57.03193	1.4
57.03435	15.7
65.03941	1.5
67.05494	23.2
69.03405	1.3
69.07060	100.0
70.07390	1.5
70.77517	3.5
71.04994	1.1
73.64181	0.9
73.65942	0.9
74.06036	1.4
79.05485	33.3
81.03082	0.9
81.03419	9.0
81.06600	1.6
81.07047	27.4
83.04975	7.5
83.08597	1.9
85.06511	2.0
91.05470	32.3
93.07032	29.2
95.01308	2.2
95.04961	10.5
95.08595	8.5
97.06512	15.0
105.07015	14.6
107.04941	22.9
107.08579	19.3
108.05271	1.4
109.06499	17.3
109.10123	2.4
115.05426	1.2
117.07002	8.7
119.08585	6.0
121.06510	2.8
121.10133	17.7
123.08097	1.4
125.09627	2.1
127.07520	4.0
129.05464	1.5
129.07034	2.6
131.04924	1.9
131.08546	25.7
133.06459	11.2
133.10112	11.4
135.08028	13.3
135.11641	2.3
137.09578	1.4
141.06973	1.2
143.08572	1.5
145.10078	5.2
147.08054	1.5
147.11650	2.8
149.09602	36.4
151.07639	1.3
151.11162	14.4
157.10149	1.9
159.08034	7.9
159.11665	3.1
161.09590	2.7
163.11177	1.3
169.10027	1.7
171.10152	13.2
171.11559	2.1
173.09607	1.5
173.13277	1.3
175.11220	1.6
177.09114	7.2
183.08539	1.7
183.10147	35.3
183.11534	1.5
185.13258	1.3
187.11145	2.3
187.14780	1.9
188.54846	1.0
191.14218	2.0
195.10159	2.0
201.16357	5.3
211.14760	2.0
217.12175	1.8
219.17368	1.2
229.15871	4.3
232.14645	1.3
247.16881	6.4
265.18036	1.2
311.96735	1.1
321.17175	2.2
321.20547	15.2
322.20920	1.2
337.33301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01867	2.5
55.05495	5.6
57.03422	6.9
61.18360	1.5
63.17982	1.4
67.05496	11.5
69.03426	4.0
69.07059	12.7
69.53472	3.2
69.53880	10.2
71.04981	2.9
79.05493	15.6
81.03406	1.9
81.07050	19.5
83.04961	3.5
83.08609	2.8
85.06516	4.6
86.09696	99.2
91.05462	16.7
93.03391	1.9
93.07027	17.2
95.04940	10.3
95.08601	17.6
97.06525	4.7
97.10148	4.3
103.05432	6.6
105.07021	18.0
107.04962	2.1
107.08590	15.0
109.06509	6.1
109.10156	10.5
117.06984	6.8
119.08580	11.2
120.08090	100.0
120.31375	1.6
121.08364	2.4
121.10122	10.6
123.08050	2.8
123.11700	2.8
128.10712	48.0
129.06963	2.8
129.11058	2.5
131.04897	2.8
131.08568	13.6
133.10118	12.4
135.08018	4.6
135.11673	4.7
137.09598	5.7
143.08530	2.6
145.10109	13.2
147.08012	2.2
147.11661	6.8
149.05939	2.2
149.09583	6.2
149.13243	2.3
151.11105	1.8
156.10208	13.6
157.10115	5.9
159.11681	5.9
163.11208	1.9
165.09100	5.4
166.08623	50.9
169.10144	3.2
173.09451	1.7
173.13257	3.1
175.11189	4.1
177.05470	1.6
183.11511	1.9
185.13318	2.8
187.14716	3.7
190.29765	2.1
191.14359	2.4
201.12672	2.0
201.16394	4.1
211.14832	5.6
229.15845	7.4
252.43263	1.6
303.16196	2.0
303.19690	2.4
303.23114	2.7
316.69589	2.3
321.17014	3.9
321.20535	7.9
321.24213	5.8
322.25943	4.1
327.28723	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05500	0.8
55.73031	0.4
57.03424	0.8
57.07068	7.2
58.06582	1.4
58.07406	3.1
58.93900	0.4
59.06919	0.6
61.02918	2.3
67.05488	1.3
69.03410	2.1
69.07050	1.2
70.06581	15.2
71.06288	0.5
71.06915	8.1
71.08610	2.6
71.75144	0.5
72.07233	0.9
72.08132	0.6
72.08939	1.6
73.02893	1.4
75.33480	0.4
79.05489	1.4
81.03400	1.0
81.07021	1.2
83.08625	0.5
84.08115	0.8
85.02894	8.7
85.10155	0.9
86.09703	0.5
86.10477	0.5
88.07616	18.9
89.07384	0.4
89.07944	8.3
90.08001	2.3
91.03951	2.1
91.05442	0.9
93.07014	1.2
95.04925	0.5
95.08611	0.7
97.02879	3.6
99.04433	0.5
102.09173	9.5
103.03908	0.7
103.08896	0.3
103.09497	6.5
104.09595	2.0
105.07003	0.8
107.08543	1.1
109.02847	0.6
119.08544	0.9
121.10121	0.4
123.58113	0.3
127.03883	2.7
131.08536	0.5
132.10173	0.5
133.10135	0.3
135.08032	0.7
139.03886	0.4
145.04912	2.4
152.11725	0.4
159.02856	0.4
214.24333	0.5
230.24126	0.4
256.26334	7.5
256.28915	0.7
257.26663	11.0
258.26971	32.2
259.27338	6.0
289.17996	0.6
302.29523	3.1
303.29919	0.5
320.30609	100.0
321.20599	1.1
321.30869	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45001	1.3
55.65876	1.3
56.96558	6.2
57.03419	1.9
58.99846	2.6
59.81174	1.3
61.02931	1.9
69.24125	1.3
70.52969	5.4
74.60894	1.2
77.00911	4.5
82.99821	1.4
85.02898	1.6
95.01951	2.2
98.97577	5.9
101.00879	14.4
108.95667	1.2
108.97838	1.2
110.97598	1.9
112.89544	1.2
113.00858	2.5
115.02459	5.4
116.98609	2.4
119.01910	64.8
119.14155	1.5
120.02013	3.8
121.01652	2.4
129.11151	1.4
131.01898	25.5
133.03456	20.2
134.99634	1.8
137.02936	18.3
139.02547	1.4
142.03487	1.7
143.01849	7.8
144.99847	2.2
145.03488	7.9
146.99654	2.3
147.03085	1.3
147.05028	3.1
149.02917	10.4
151.04514	5.2
155.01839	10.3
156.05106	1.5
157.03459	7.9
159.01398	1.4
161.02943	15.6
163.04541	2.7
168.99849	7.1
171.01370	2.9
173.02943	36.0
174.03111	1.9
175.04527	5.0
177.00858	1.6
177.02501	4.7
183.01321	1.8
185.02969	5.9
187.00861	19.6
189.00755	2.7
189.02455	9.3
191.04034	9.0
196.04593	1.5
196.99365	3.1
199.00928	1.8
201.00702	3.4
201.02422	39.8
203.04012	7.3
205.01959	6.5
213.02454	11.2
214.05634	1.4
215.00349	17.5
219.03496	100.0
220.03627	4.2
221.05101	12.0
223.01199	1.8
224.04156	1.8
229.01912	9.3
231.03491	18.0
233.01431	3.1
233.05078	7.3
237.04628	4.4
238.02008	2.4
239.06133	14.4
240.05807	1.6
242.05147	8.4
244.06921	1.7
246.99112	1.7
247.03000	32.5
249.04526	9.5
261.04636	6.3
261.08167	3.6
265.04004	7.7
270.04568	4.2
272.06140	2.3
279.05927	2.0
279.09180	2.8
289.04059	11.0
308.26819	1.5
321.06564	27.2
321.10385	3.9
322.05621	3.0
339.07761	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02533	2.3
53.03931	5.4
55.01862	6.1
55.05010	2.0
55.05506	43.4
55.93512	2.4
56.05833	2.2
57.03421	2.8
60.04511	3.9
67.05495	7.0
69.03430	18.4
69.07062	31.6
70.06577	8.7
71.04999	3.2
71.73878	2.5
72.08140	11.3
73.02883	3.9
73.08484	3.6
73.59168	2.1
78.35722	2.2
79.05490	4.2
81.03412	22.4
83.04984	2.8
83.08611	100.0
84.04513	2.7
84.08131	9.1
85.02893	15.2
86.09709	12.8
90.88535	2.2
91.05484	3.5
93.07030	8.8
95.08586	3.7
97.02881	7.3
97.06521	2.8
99.04451	9.9
101.64027	2.2
105.84013	2.3
109.02872	14.2
111.04423	2.7
111.08071	39.7
114.09144	2.6
114.90717	2.3
118.06488	2.5
120.08083	4.5
121.06519	2.5
124.75452	2.2
127.03905	14.2
129.09117	5.5
129.10179	3.2
130.06519	4.8
139.07552	6.5
145.04919	2.9
146.05966	6.2
157.08591	8.9
159.11320	12.4
160.11623	10.2
175.09650	80.4
176.10014	3.6
177.00685	2.7
188.07074	4.6
188.11060	2.6
196.92906	2.6
203.08189	3.3
238.07692	4.4
273.12402	5.5
301.12012	19.2
301.15240	3.8
319.12994	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.8
53.03940	37.8
55.01859	3.4
55.05510	2.4
57.03422	2.3
66.33482	1.2
67.05485	4.5
69.03413	4.1
69.07050	2.9
71.74841	2.0
79.05474	5.5
81.03408	100.0
81.07030	6.4
83.04940	1.8
83.08611	1.8
85.02885	3.4
86.09680	3.0
91.05480	11.8
93.07027	5.2
95.04943	5.6
95.08588	3.2
97.02888	1.8
97.06514	2.7
103.05457	2.8
105.07002	6.3
107.04962	3.7
107.08553	3.7
109.02833	1.5
109.06488	4.3
109.10117	1.4
111.04430	2.5
111.08095	1.6
115.05425	3.7
117.06998	2.3
119.08575	7.7
121.06508	2.7
123.04398	2.5
127.03873	1.5
128.06215	3.1
129.06972	4.4
131.04878	3.8
131.08536	2.6
132.05708	1.7
133.06497	2.7
133.10112	4.0
135.08076	1.8
135.11678	1.5
137.02229	1.4
137.05960	9.0
137.56436	1.1
139.07487	1.4
141.06955	2.5
143.04958	1.6
143.08516	4.4
145.06471	2.1
145.10080	1.4
146.03625	2.7
147.04398	1.8
147.08034	9.6
149.05972	4.1
149.09743	1.4
152.06175	2.3
153.06949	4.3
155.04874	1.6
155.08583	1.7
157.06445	2.1
157.10092	2.0
159.04330	2.2
159.08028	1.3
159.11670	1.4
160.05214	2.1
161.05992	7.2
161.09634	2.6
162.03192	1.3
163.03877	2.2
167.08508	3.4
169.06467	2.9
170.07185	1.6
171.08018	2.9
171.11594	1.3
173.13168	1.5
175.07506	3.8
176.04781	2.2
177.05446	7.0
180.04089	2.4
181.06476	8.7
182.07127	1.2
183.06482	6.5
184.05179	1.5
185.05983	2.3
185.09494	1.3
189.05437	11.8
189.09052	1.9
190.06226	1.2
191.03322	2.3
191.07011	3.6
193.04927	1.7
193.12265	1.2
195.08075	4.1
197.05960	3.4
198.06728	6.4
199.07507	4.2
201.05452	1.6
203.06966	2.5
205.04930	12.9
207.06519	2.2
208.03641	3.6
209.05930	4.3
209.08046	3.4
210.08846	4.7
211.06119	1.4
213.05367	2.0
213.09019	6.7
215.06920	1.7
217.04858	2.1
217.08557	2.0
219.06461	11.8
220.07239	4.2
221.07971	2.4
222.05339	1.9
223.05972	20.7
223.09435	2.9
225.05576	1.5
226.06178	4.6
227.07031	4.5
229.04753	2.3
231.10008	2.7
233.08186	1.9
234.05211	1.9
237.07578	9.1
241.06355	1.7
241.08609	10.2
243.06471	4.6
245.07990	3.1
245.15657	1.4
249.07491	10.5
255.06575	2.9
258.08835	1.6
259.09653	4.6
260.10364	1.5
261.07468	1.5
269.08099	2.8
271.06094	1.5
273.11179	30.1
287.08902	2.3
291.12253	3.9
301.10672	5.2
301.21506	1.2
304.09482	2.0
319.07098	4.9
319.11761	20.1
319.19128	2.2
319.22656	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
53.03944	36.6
55.01862	2.0
55.05502	1.9
57.03426	1.8
65.03934	1.5
65.65067	0.8
67.05491	3.2
68.99783	1.1
69.03440	4.9
69.07059	2.5
70.06570	1.3
71.05013	1.4
71.74093	0.7
71.74462	0.9
79.05495	6.0
81.03412	100.0
81.07045	6.1
82.03754	1.5
83.04974	1.3
83.08621	1.2
85.02889	3.4
86.09711	3.4
86.72924	0.8
91.05475	10.3
93.07066	4.6
95.04945	5.0
95.08588	3.1
97.02890	2.1
97.06522	1.5
97.85399	0.7
99.04461	0.9
103.05485	3.1
105.07036	5.7
107.04939	3.2
107.08591	2.6
109.02872	2.0
109.06506	3.3
109.10147	2.2
111.04461	1.4
115.05439	4.5
117.07027	2.6
119.08577	6.2
121.06495	2.9
121.10118	1.9
123.04418	1.8
123.08054	1.1
128.06230	3.2
129.05473	0.8
129.07018	2.9
131.04935	5.0
131.08543	2.1
132.05640	0.7
133.06523	1.5
133.10107	2.2
134.03601	1.2
135.04375	1.1
135.08073	2.3
135.11673	1.1
137.05959	7.9
141.07002	2.0
142.07820	1.8
143.04909	1.5
143.08551	2.8
145.06487	2.5
145.10155	1.4
146.03648	1.8
147.04419	2.0
147.08044	6.6
149.05957	3.7
149.09659	1.1
152.06221	3.3
153.06955	5.2
155.08519	1.2
157.06511	2.0
157.10149	1.7
159.04414	2.9
159.08067	1.0
159.11696	1.2
160.05182	2.5
161.05975	8.4
161.09619	2.8
162.03131	2.6
163.03888	3.7
163.07516	1.3
165.06984	1.8
166.07805	0.9
167.08546	3.3
169.06467	2.1
170.07300	2.0
171.04373	1.6
171.08011	2.6
171.11632	1.2
173.06015	2.2
174.06828	1.3
175.03955	1.6
175.07526	5.2
176.04654	3.0
177.05464	8.3
179.03415	2.2
180.04198	1.7
180.05698	1.0
181.06464	9.5
183.06496	6.6
183.07883	1.1
184.05176	0.9
185.05984	2.5
185.09627	1.5
187.03908	1.4
187.07515	1.0
189.05453	12.2
189.09177	2.0
190.02603	2.2
190.06107	1.6
190.75302	0.8
191.03419	1.7
191.07048	3.7
192.04335	0.9
193.04977	1.8
194.05765	2.0
195.06496	1.8
195.08096	2.7
197.05966	2.6
198.06702	6.9
199.03909	1.1
199.07571	4.0
199.14856	0.9
201.05470	1.5
203.03232	1.4
203.07042	2.6
205.04939	14.5
206.05634	1.6
207.06589	2.0
208.03651	3.8
209.05989	3.0
209.08055	4.1
210.07085	0.9
210.08789	5.0
211.05913	0.9
212.08456	1.1
213.05473	1.5
213.09024	5.4
215.07083	1.8
216.04247	1.1
217.05020	2.6
217.08630	2.7
219.02979	1.6
219.06506	11.0
220.07285	3.0
221.08086	3.8
222.05292	1.4
223.05971	18.9
223.09644	1.7
225.05540	1.5
226.06216	3.5
227.07027	6.1
229.04984	1.9
230.05803	1.3
231.10191	2.6
233.08145	1.7
234.05281	2.4
237.05447	1.6
237.07561	7.2
238.08350	1.3
240.07957	0.9
241.08580	8.6
243.06468	4.2
245.08116	2.6
245.15327	0.9
247.05934	1.2
249.07568	9.9
250.07953	1.3
255.06544	1.6
258.09042	2.0
259.09616	5.4
261.07657	1.7
263.12833	1.9
269.08032	3.6
271.06046	1.8
273.11185	33.1
274.11444	1.2
274.18005	2.3
275.09302	1.0
286.08340	1.1
287.09030	5.0
291.12320	3.5
301.10654	4.9
304.04810	1.5
319.07248	4.8
319.11826	24.3
319.19022	1.9
319.22610	1.3
320.12042	1.2
320.18454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	33.0
68.82903	21.2
69.52525	20.6
70.79495	38.2
70.79867	37.4
119.01907	77.0
128.98721	25.6
131.01875	24.4
142.00993	20.1
143.01836	40.1
145.03474	37.3
156.03627	19.8
161.02962	51.3
173.02980	50.2
231.03362	27.3
312.91510	22.6
319.07294	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27080	19.4
56.96543	65.6
61.02914	25.3
62.83847	17.1
70.40741	45.6
70.41135	42.3
74.78358	19.2
77.41605	18.7
84.08124	25.9
85.02877	25.2
95.91067	18.8
117.04012	21.7
119.01884	100.0
131.01846	33.7
133.03455	52.3
137.02936	31.0
143.01900	32.8
145.03400	40.0
146.99648	30.1
161.02930	93.6
173.02989	21.7
175.02750	26.1
176.98370	20.0
177.24028	18.3
187.04694	22.5
189.02359	29.9
205.31726	18.5
217.01978	43.5
231.03426	34.6
231.70248	20.5
259.06949	21.5
319.07413	54.4
319.10110	75.5
319.13245	25.9
336.11230	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2061
Annotation	Tetrabenazine
Peak:m/z	Relative Intensity
55.01867	20.6
55.05507	11.8
56.05025	9.3
57.03428	2.5
57.07070	11.9
58.06581	6.2
60.04512	19.2
67.05483	7.2
68.05015	3.3
69.07069	15.0
69.30290	2.1
70.06577	7.0
71.08609	2.8
72.04512	35.2
74.06053	6.0
79.05480	13.2
80.05001	8.6
81.03413	2.5
81.07037	7.7
82.02938	3.6
82.06565	2.8
83.08614	4.6
84.04471	2.1
85.10183	2.1
88.07614	32.0
91.05479	10.2
91.33150	2.2
93.07015	5.1
94.06544	11.1
95.04947	5.2
95.08589	2.9
96.04471	7.4
96.08128	3.2
97.06503	3.1
98.06069	2.8
102.09173	4.3
103.05442	3.5
105.07008	8.3
106.06527	8.3
107.04916	4.7
107.08554	6.4
108.04482	6.3
109.05210	4.9
109.10130	1.8
110.06059	3.2
112.07583	3.6
114.05520	7.7
115.05412	4.2
117.06991	3.2
118.08616	4.1
119.04899	2.6
120.04414	1.9
121.06513	2.8
121.10139	2.8
122.06018	7.5
122.08153	3.5
124.07610	9.3
126.04619	4.2
126.05506	66.2
127.06226	3.3
128.06213	2.5
128.07085	3.1
128.14339	53.9
133.05212	2.3
134.06012	2.5
138.05487	4.9
140.07051	12.2
143.08574	3.5
145.06448	3.2
148.07562	5.8
152.07053	24.2
153.01801	2.8
153.07797	5.9
154.04991	2.8
154.08542	2.5
155.08492	2.6
160.07573	4.7
161.05905	2.3
161.36349	1.9
164.07057	13.9
166.04958	2.5
166.08633	13.6
170.15401	6.0
184.07593	2.3
189.12564	2.1
191.14297	2.0
193.07454	2.2
203.14368	9.2
215.09386	2.3
216.10146	3.2
220.68291	1.9
228.10144	2.7
230.11713	2.8
253.38567	2.0
256.17068	2.2
256.26294	11.3
270.27908	26.0
276.15021	3.6
277.90414	1.8
282.27936	2.8
290.21188	13.7
300.19604	33.1
300.28940	4.8
303.04535	2.8
318.06775	8.5
318.17410	1.9
318.20642	93.4
318.29959	100.0
318.32782	5.4
319.21423	2.9
334.25137	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20265	0.6
55.05504	0.7
56.05036	0.7
56.96549	0.7
57.03420	1.2
57.14365	0.6
58.06556	0.6
60.04513	1.5
61.02919	1.4
67.05470	1.2
69.03424	5.1
69.07053	2.1
70.06577	2.8
70.55039	2.1
72.08134	2.4
79.05480	0.9
79.39893	0.6
81.03394	2.1
81.07037	0.8
83.04985	0.8
83.08620	0.9
84.08137	2.4
85.02895	8.8
86.09696	5.5
87.04469	0.7
91.03932	0.7
91.05464	0.9
93.07067	1.5
95.08614	1.9
96.04477	3.5
96.08121	2.3
97.02881	3.7
97.05251	2.4
97.06528	1.9
98.06074	0.6
100.07593	1.1
109.02863	0.8
109.06525	0.7
110.06026	6.8
110.09670	3.5
120.08076	1.6
121.06494	2.7
125.08359	0.7
126.09139	9.2
127.03902	2.0
128.10675	0.8
129.10229	1.3
138.05479	1.6
138.09129	21.4
139.07512	1.8
144.04376	1.1
145.04909	1.4
156.10185	100.0
157.10533	2.0
159.11299	1.3
168.10219	1.4
173.12863	4.9
198.11267	1.1
199.93178	0.7
201.12267	1.5
210.14897	1.0
223.30267	0.7
267.98947	0.6
272.09146	0.7
318.06793	2.6
318.15488	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	10.9
56.96563	14.0
57.03423	12.3
57.28664	5.9
63.37368	5.3
66.92338	6.8
69.03412	22.0
69.07072	7.0
69.94790	35.5
70.02938	7.4
70.04062	19.0
70.06564	6.8
71.02456	14.0
72.05653	5.0
72.08150	46.9
73.02908	14.4
84.04511	10.5
84.08144	10.8
85.02905	23.5
85.06499	15.8
86.09697	83.7
89.03500	12.1
97.02859	14.2
97.05141	9.6
98.03546	39.9
98.05915	10.2
98.21460	8.2
98.97586	6.5
100.05045	8.6
108.04334	8.5
109.05111	13.0
110.06036	10.4
113.04602	6.9
115.03902	5.9
115.06151	28.2
116.98572	5.6
124.03845	9.3
125.04596	15.2
125.06969	93.3
126.05404	34.3
126.07742	20.7
127.06084	9.8
129.10133	8.2
131.43248	5.5
133.04974	9.9
136.06165	41.3
136.61176	5.7
137.04610	9.5
138.05492	100.0
140.04530	5.7
141.04079	13.0
141.06451	13.9
143.05632	59.6
153.04057	6.4
153.06444	69.4
154.07245	47.5
156.06580	40.6
157.13358	21.8
158.06717	11.9
164.05681	6.0
169.05969	10.4
171.14911	9.1
174.00697	7.1
177.08736	16.6
182.06761	10.8
185.16394	6.8
186.06183	35.0
231.08560	6.3
234.98997	10.6
237.02563	7.0
257.11133	14.2
275.09799	11.7
285.10675	14.9
292.81854	5.9
318.10535	8.7
318.21548	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2108
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
55.01843	1.6
55.05504	10.5
56.05003	1.3
57.07065	13.7
59.04988	6.3
67.05493	43.1
69.03401	5.5
69.07041	4.5
69.60165	9.7
70.06586	16.3
71.04975	2.3
71.08601	3.4
79.05488	8.1
81.07042	23.5
83.04962	3.3
83.08591	2.0
85.06509	2.5
85.10178	1.3
87.04461	9.8
88.04778	2.0
88.07615	24.9
91.05466	11.1
93.07024	13.9
95.04958	19.2
95.08594	16.2
97.06533	6.4
102.09151	13.3
103.05408	1.1
105.07011	12.8
107.08576	28.9
109.06511	15.1
109.10139	67.6
111.08077	1.6
115.05437	1.6
117.06980	3.4
118.25463	1.1
119.04936	1.2
119.08566	41.6
120.08891	1.0
121.06498	5.4
121.10115	6.1
123.08048	20.1
125.05962	2.0
129.06920	1.4
131.08553	4.9
133.06418	3.2
133.10085	7.0
135.08067	7.0
135.11664	2.3
137.05933	1.8
137.09595	52.6
138.09967	1.4
139.07509	2.1
141.06888	1.4
142.07767	1.2
143.08513	5.0
143.09467	1.0
145.10098	7.1
147.08014	4.5
147.11649	3.9
149.09579	3.0
151.07513	41.6
152.07829	1.2
153.01785	2.3
153.05412	3.7
153.09045	1.3
155.08597	1.3
156.09232	2.7
157.06602	1.2
157.10066	3.5
159.08023	2.8
159.11714	5.7
161.09608	7.4
161.13213	3.2
163.07500	1.6
163.11154	3.2
165.09108	4.7
167.07024	2.7
167.08446	1.2
169.10088	2.0
171.11646	3.2
173.09596	1.8
173.13214	2.8
175.11121	2.5
177.09056	3.5
177.12604	1.2
181.08548	4.2
181.10028	1.9
181.12202	2.6
183.11652	2.4
187.14731	1.3
189.12723	20.0
190.13174	1.1
191.10442	1.0
191.14275	1.1
195.11545	1.5
197.13316	2.1
199.11288	1.3
201.12692	1.7
203.14293	2.2
207.13760	19.4
208.14067	1.9
215.10712	1.8
215.14243	3.1
217.12292	2.4
221.15308	3.6
225.12614	1.9
233.15317	3.0
237.14885	3.9
241.16026	1.1
243.13762	8.0
256.26321	40.9
257.26672	3.6
261.14798	2.7
274.04755	1.2
281.18948	2.1
285.03815	1.4
299.19971	8.5
300.20377	1.7
300.28882	4.1
302.04135	4.3
317.06604	17.9
317.21060	52.8
317.28714	14.5
318.06555	1.6
318.21573	4.0
318.29980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2107
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03910	2.7
55.01841	4.0
55.05508	16.2
57.07053	7.5
57.74128	1.9
59.04987	8.3
60.04493	5.8
65.03918	2.2
67.05495	67.9
69.03397	6.8
69.07037	7.6
70.06554	2.9
70.87984	6.8
71.04976	3.8
72.76543	2.0
77.03013	1.8
79.05476	13.8
81.07043	38.4
83.04956	3.5
83.08589	6.0
85.06521	6.7
85.57494	1.9
85.95147	1.9
88.07588	3.1
90.43453	2.1
91.05460	20.1
93.07040	23.9
95.04956	34.4
95.08594	28.1
97.05948	2.1
97.06511	11.4
105.07018	20.4
107.08582	54.3
109.06509	23.2
109.07218	3.7
109.10142	100.0
110.10439	3.5
111.08002	4.2
113.24875	2.0
114.06596	1.9
117.06985	6.4
119.04815	2.3
119.08562	67.2
121.06483	7.5
121.10124	11.8
123.08050	38.4
125.05965	2.9
125.09595	2.3
131.08557	9.3
133.06496	5.0
133.10114	14.3
135.08038	18.1
135.11684	3.0
136.47876	2.0
137.09598	90.3
139.07430	3.6
143.08527	7.6
144.09315	2.2
145.10126	11.7
147.08022	8.4
147.11668	7.7
149.09579	7.0
151.07520	88.0
152.07726	3.2
153.01845	2.2
153.05402	6.8
155.08514	2.6
156.09320	6.0
157.10118	4.9
159.08035	5.5
159.11655	7.6
161.08250	2.2
161.09578	12.2
161.13240	4.3
162.82768	2.1
163.11137	6.0
165.09074	11.7
167.06989	5.1
167.08469	2.2
170.10861	2.3
171.11642	7.1
173.09628	2.6
173.13248	7.6
175.11162	6.7
175.14815	2.9
177.09111	4.8
177.12672	2.5
179.10521	2.1
181.08533	6.8
181.12233	4.2
183.11636	6.2
187.14828	4.5
189.12724	35.9
189.14354	3.7
191.10619	3.4
197.13216	5.1
203.14311	3.1
207.13776	33.3
215.14265	3.9
218.85750	2.3
219.13683	3.1
221.15254	6.4
222.44762	2.1
228.52301	2.3
233.15298	4.2
237.14835	8.2
239.17975	3.6
241.15993	2.7
243.13760	13.4
256.26370	4.2
257.19028	3.6
261.14877	7.0
281.18887	3.6
283.27191	2.2
299.20044	17.4
302.04120	3.1
317.06567	12.7
317.21072	90.4
317.28854	4.2
318.21402	5.6
318.29962	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	1.6
55.05504	10.5
56.05003	1.3
57.07065	13.7
59.04988	6.3
67.05493	43.1
69.03401	5.5
69.07041	4.5
69.60165	9.7
70.06586	16.3
71.04975	2.3
71.08601	3.4
79.05488	8.1
81.07042	23.5
83.04962	3.3
83.08591	2.0
85.06509	2.5
85.10178	1.3
87.04461	9.8
88.04778	2.0
88.07615	24.9
91.05466	11.1
93.07024	13.9
95.04958	19.2
95.08594	16.2
97.06533	6.4
102.09151	13.3
103.05408	1.1
105.07011	12.8
107.08576	28.9
109.06511	15.1
109.10139	67.6
111.08077	1.6
115.05437	1.6
117.06980	3.4
118.25463	1.1
119.04936	1.2
119.08566	41.6
120.08891	1.0
121.06498	5.4
121.10115	6.1
123.08048	20.1
125.05962	2.0
129.06920	1.4
131.08553	4.9
133.06418	3.2
133.10085	7.0
135.08067	7.0
135.11664	2.3
137.05933	1.8
137.09595	52.6
138.09967	1.4
139.07509	2.1
141.06888	1.4
142.07767	1.2
143.08513	5.0
143.09467	1.0
145.10098	7.1
147.08014	4.5
147.11649	3.9
149.09579	3.0
151.07513	41.6
152.07829	1.2
153.01785	2.3
153.05412	3.7
153.09045	1.3
155.08597	1.3
156.09232	2.7
157.06602	1.2
157.10066	3.5
159.08023	2.8
159.11714	5.7
161.09608	7.4
161.13213	3.2
163.07500	1.6
163.11154	3.2
165.09108	4.7
167.07024	2.7
167.08446	1.2
169.10088	2.0
171.11646	3.2
173.09596	1.8
173.13214	2.8
175.11121	2.5
177.09056	3.5
177.12604	1.2
181.08548	4.2
181.10028	1.9
181.12202	2.6
183.11652	2.4
187.14731	1.3
189.12723	20.0
190.13174	1.1
191.10442	1.0
191.14275	1.1
195.11545	1.5
197.13316	2.1
199.11288	1.3
201.12692	1.7
203.14293	2.2
207.13760	19.4
208.14067	1.9
215.10712	1.8
215.14243	3.1
217.12292	2.4
221.15308	3.6
225.12614	1.9
233.15317	3.0
237.14885	3.9
241.16026	1.1
243.13762	8.0
256.26321	40.9
257.26672	3.6
261.14798	2.7
274.04755	1.2
281.18948	2.1
285.03815	1.4
299.19971	8.5
300.20377	1.7
300.28882	4.1
302.04135	4.3
317.06604	17.9
317.21060	52.8
317.28714	14.5
318.06555	1.6
318.21573	4.0
318.29980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
55.01856	3.4
55.05485	4.4
57.03414	4.9
57.07056	5.3
59.05004	1.3
60.96358	1.2
61.02906	2.8
64.09186	1.4
65.03922	2.3
67.05511	8.9
68.99773	2.9
69.03423	13.0
69.07057	19.6
69.31234	1.2
69.83743	10.0
71.04987	2.8
73.02895	4.5
79.05482	8.1
81.03398	5.6
81.07046	59.6
83.04945	4.3
83.08594	2.4
84.08083	1.4
85.02895	44.6
85.06521	2.0
86.79828	1.4
86.80376	1.5
87.04442	4.1
87.60153	1.4
91.05474	10.2
92.02581	3.0
93.03365	3.8
93.07031	20.3
95.04956	5.7
95.08598	22.5
97.02881	13.9
97.06508	6.6
99.04429	4.5
103.03925	4.6
105.07018	16.7
107.08578	21.7
109.02850	8.2
109.06494	6.1
109.10121	13.5
111.04415	2.2
111.08083	3.5
111.11697	6.0
115.03930	4.2
115.05424	1.7
117.06989	2.5
119.08565	13.1
121.02852	7.6
121.06490	3.0
121.10107	13.8
122.40021	1.5
123.08038	4.3
123.11680	8.0
123.79974	1.5
125.05988	2.7
127.03925	7.5
128.06149	1.6
129.05408	1.6
129.07004	3.3
131.08533	7.1
133.04990	2.7
133.06482	1.7
133.10118	6.1
135.08055	1.9
135.11639	9.1
137.02304	1.7
137.05968	1.8
137.09628	2.9
137.13226	23.4
142.07745	2.8
143.08522	4.7
145.04904	10.9
145.06526	1.8
145.10124	5.2
147.07965	4.2
147.11679	10.7
149.09630	3.0
149.13235	11.4
149.85884	1.3
151.03899	2.0
153.01804	18.6
155.14247	2.0
157.10100	5.1
159.11703	6.7
161.09645	1.5
161.13229	5.1
163.06020	3.6
163.14746	1.6
165.12733	6.0
167.14275	5.0
171.08168	1.5
171.11684	2.7
173.05891	1.5
173.13243	2.0
175.11189	1.9
177.12807	2.6
179.08522	1.7
179.14299	1.9
183.07988	1.4
185.13211	3.4
189.09116	2.6
189.12744	2.3
191.14267	1.7
195.13722	2.6
195.80252	1.5
197.13239	2.6
199.14818	1.8
201.05479	2.7
203.03401	2.3
203.09058	2.1
203.14198	3.2
217.04979	3.4
219.02977	1.5
221.15361	3.4
228.04204	3.7
229.04984	12.5
233.15385	2.6
239.06921	1.9
245.04404	3.2
245.15280	3.6
246.05098	3.2
251.16492	2.1
257.04416	47.4
258.04794	3.7
263.16489	6.5
273.03873	3.0
274.04666	9.2
281.17517	4.2
285.03909	8.5
299.18570	1.8
302.04141	29.3
302.07181	2.1
303.04599	2.6
317.06506	100.0
317.20642	4.9
318.06967	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.3
55.05500	2.4
57.03414	2.5
57.07053	2.0
61.02916	1.4
67.05495	4.9
68.99770	3.9
69.03413	6.8
69.07061	9.8
71.04979	2.5
71.07761	2.3
73.02890	2.5
78.97784	1.0
79.05482	3.6
81.03397	4.6
81.07047	26.8
83.04980	1.6
83.08607	2.1
85.02896	22.2
85.06564	1.1
87.04439	1.6
91.05489	4.9
92.02592	2.2
93.03376	2.0
93.07024	9.4
95.04956	2.8
95.08587	12.3
97.02878	5.8
97.06527	4.4
98.20733	1.1
99.04443	1.9
103.03925	2.2
105.07025	9.2
107.08574	10.4
109.02869	5.7
109.06531	2.5
109.10146	6.2
111.04420	1.6
111.08066	1.8
111.11704	2.6
115.03938	1.9
117.07008	2.4
119.08577	8.2
121.02854	12.6
121.06454	0.9
121.10132	11.0
122.03302	0.9
123.04465	1.0
123.08055	1.8
123.11705	4.7
126.03080	1.1
127.03931	4.4
129.06969	1.1
131.08565	2.6
133.06467	1.4
133.10127	4.4
135.07997	2.0
135.11691	4.7
137.05936	1.2
137.09579	1.8
137.13237	12.8
139.03897	1.2
139.11163	1.6
143.08536	2.8
145.04932	4.6
145.06451	2.6
145.10114	2.7
147.04434	1.5
147.11635	5.3
149.09570	1.2
149.13226	4.4
151.03848	1.4
151.07487	1.0
151.11195	1.0
153.01804	14.7
155.08586	1.0
155.14328	2.0
157.10091	2.9
159.07994	1.4
159.11646	3.2
161.05928	3.0
161.09537	2.1
161.13268	3.4
163.03798	1.0
163.06015	2.2
163.07533	1.0
163.11168	1.1
165.09103	1.2
165.12740	4.1
167.14308	2.8
169.10107	1.6
171.11670	2.4
173.06015	2.6
173.13271	1.8
175.11099	1.0
177.12799	1.3
179.14326	1.0
183.11624	1.0
185.13306	1.3
187.03920	2.0
187.10988	0.9
189.09149	1.0
195.13782	1.0
197.13197	1.1
201.05434	1.4
203.14264	1.5
209.00803	1.2
215.03427	1.1
217.04953	2.2
221.15497	1.2
228.04106	3.1
229.04912	15.6
233.15427	2.3
243.13924	1.2
245.04549	2.3
245.15288	1.2
246.05200	2.6
257.04422	100.0
258.04831	8.9
263.16492	2.3
273.03894	2.5
274.04633	6.0
281.17493	2.5
285.03922	6.9
299.20349	1.2
302.04153	20.9
303.04266	1.2
317.06512	89.1
317.14240	2.3
317.20682	4.1
317.24371	1.0
318.06882	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43222	13.6
70.01036	91.2
70.06539	16.9
84.08121	54.4
95.44478	13.5
97.02821	18.9
101.36654	14.7
112.89613	25.5
114.89334	19.5
119.01884	53.7
129.10226	29.8
131.01881	43.0
133.71460	16.3
143.25046	15.0
145.03479	22.9
149.02971	17.0
155.01881	37.9
161.02864	29.8
169.03448	17.4
172.95221	34.8
173.02942	100.0
177.23810	14.4
185.02913	27.4
197.02864	27.6
207.40820	14.7
214.95976	15.4
215.03967	14.6
317.06747	33.9
317.21719	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1379
Annotation	Pochonin F
Peak:m/z	Relative Intensity
53.03930	5.4
55.01847	5.8
55.05494	4.1
56.45425	1.5
65.03923	5.7
67.05183	1.7
67.05502	21.5
69.03410	6.2
69.07056	12.8
70.76751	2.6
71.05000	1.5
79.05481	76.6
81.03408	52.1
81.07047	8.6
83.04980	2.4
91.05468	33.2
92.02612	1.9
93.03393	5.8
93.07030	32.8
95.01308	3.3
95.04955	29.8
95.08600	6.5
97.06528	11.1
102.56257	1.8
103.05470	6.6
105.04518	2.6
105.07019	38.0
107.04926	4.6
107.08580	47.0
108.08946	2.6
109.06506	4.8
109.10129	6.3
111.04424	3.1
111.08062	1.6
115.05453	4.7
117.07003	10.2
119.04844	2.4
119.08556	18.2
121.02861	19.9
121.06486	33.6
121.10091	1.9
123.04371	1.9
124.00699	1.7
128.06189	7.7
129.06987	10.4
131.04904	2.8
131.08551	18.0
132.05678	1.8
133.06465	7.2
133.10114	24.6
135.08002	2.5
135.32016	1.7
137.06033	3.5
137.09579	1.7
141.06976	5.1
142.07797	2.9
143.08536	19.3
145.06491	11.1
145.10103	17.7
147.04408	6.5
147.08017	6.3
147.11687	2.8
149.05945	11.2
149.09612	2.9
151.07501	3.4
153.01788	13.5
153.06984	3.8
155.08549	10.5
157.06546	4.0
157.10103	10.7
159.08041	24.2
159.11636	5.3
161.05962	65.6
161.09596	100.0
161.87405	1.7
165.01797	1.7
165.07004	3.2
166.07744	2.6
167.07129	2.8
167.08586	6.3
168.09137	1.8
169.06517	3.2
169.10092	5.9
171.08000	9.9
171.11671	3.6
173.09615	4.7
173.13197	2.2
175.07487	3.7
175.11235	1.9
177.09079	2.6
178.07802	1.8
179.08450	4.8
180.09410	2.3
181.10080	5.4
183.08095	6.2
183.11713	5.4
185.09598	6.8
185.13277	2.3
187.07605	2.7
187.11198	2.1
192.09311	5.5
193.10110	6.0
195.08003	5.0
195.11771	2.0
196.08781	4.0
197.09688	3.7
197.13200	7.9
199.11134	3.0
201.05347	2.5
202.07852	2.3
203.10675	4.8
205.08549	2.7
207.11670	9.1
209.09584	3.6
209.13142	3.3
211.11096	9.1
213.09087	2.1
213.12776	1.9
217.05154	2.3
217.10246	3.3
220.08890	3.6
221.09636	2.2
225.12709	16.3
227.14247	3.1
228.04153	3.0
229.04913	4.5
235.11171	19.9
237.12701	11.6
245.04488	3.4
246.05142	2.1
253.12241	27.2
255.13785	5.5
257.04410	9.0
271.13251	53.2
272.13467	2.1
274.04626	6.9
281.11719	17.7
285.03802	4.4
299.12744	52.7
299.16159	2.9
299.19873	2.4
300.13055	2.6
302.04187	17.2
303.04633	2.2
317.06537	77.1
317.13864	40.5
317.17422	4.1
317.21152	6.0
318.06699	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.065
Annotation	Milimorin
Peak:m/z	Relative Intensity
63.29812	0.2
64.69611	0.3
65.03917	1.0
67.01854	0.3
68.99776	0.9
69.68479	0.8
69.68892	1.6
71.59871	0.3
83.13526	0.3
92.02612	4.9
93.02839	0.5
93.03387	4.6
98.20689	0.6
109.02828	0.4
111.00775	0.5
121.02862	3.0
126.03120	1.3
137.02327	0.6
139.03903	2.1
145.06465	0.4
151.03891	2.1
152.00946	0.3
153.01804	25.9
154.02219	0.6
155.04860	0.7
163.03963	0.7
165.01811	1.3
166.02541	0.4
170.02240	0.4
173.05960	0.7
177.05489	0.7
179.03447	0.3
183.04398	0.5
187.03917	0.6
190.06184	0.3
195.98613	0.3
200.04691	0.9
201.05434	1.9
203.03325	2.8
204.04163	0.4
217.04935	5.0
218.05742	2.1
219.02867	0.8
228.04138	5.1
229.04924	10.4
230.05362	0.6
231.02850	1.2
243.06389	0.4
245.04431	5.9
246.05222	5.3
256.03577	0.5
257.04416	6.3
258.04974	0.3
260.03195	0.9
261.07584	0.8
273.03891	4.3
274.04672	10.2
275.05136	0.7
284.03162	1.5
285.03900	10.4
286.04358	1.0
288.06424	0.4
301.03458	0.5
302.04169	26.7
303.04495	1.9
312.91208	0.3
317.06519	100.0
318.04013	0.3
318.06879	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0652
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01859	0.3
55.05497	0.6
60.61572	0.3
65.03925	0.9
67.05489	0.6
68.99771	0.6
69.07056	0.8
70.92480	1.1
73.17191	0.3
79.05492	0.5
81.07032	1.1
83.84630	0.3
90.40141	0.3
91.05454	0.7
92.02612	3.7
93.03387	3.0
95.08608	0.7
97.06506	0.9
102.15131	0.3
105.07056	0.5
106.78822	0.4
107.08553	0.4
107.10504	0.3
109.02882	0.3
109.10111	0.8
111.04398	0.4
113.54887	0.3
117.06973	0.4
119.08566	0.4
121.02837	2.2
121.10143	0.6
121.26315	0.3
126.03084	1.0
131.04933	0.5
131.08566	0.4
131.70030	0.3
133.02866	0.5
133.10091	0.5
137.02353	0.9
137.05981	0.3
137.09579	0.4
139.03891	1.5
145.06390	0.5
145.10069	0.7
151.03889	1.4
153.01804	19.2
154.02109	0.5
157.22995	0.3
163.03764	0.3
165.01804	0.9
173.05978	1.0
177.05548	0.4
187.03864	0.5
189.05466	0.4
200.04684	0.6
201.05452	1.8
203.03337	1.9
204.04233	0.5
211.03824	0.4
217.04936	3.6
218.05684	1.8
219.02946	0.4
220.03545	0.3
228.04155	4.6
229.04941	8.3
231.02798	1.5
232.03545	0.4
245.04475	3.7
246.05185	3.7
256.03705	0.7
257.01947	0.6
257.04422	5.6
260.03156	0.9
261.07565	0.6
271.06079	0.5
273.03906	3.5
274.04660	8.0
284.03125	1.1
285.03918	8.2
286.04422	0.7
288.06006	0.4
301.03577	0.4
302.04175	23.8
303.04391	0.5
317.06519	100.0
317.21078	1.0
318.06851	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.065
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
51.92871	0.2
58.94858	0.2
65.03931	0.4
67.01833	0.3
68.99784	0.5
69.45911	0.6
69.46303	2.6
81.04496	0.2
92.02606	3.3
93.03395	3.2
121.02846	2.1
124.05171	0.3
126.03142	1.6
135.04395	0.3
137.02296	0.8
139.03864	1.7
149.02322	0.5
151.03908	1.6
151.04977	0.3
153.01807	16.9
154.02228	0.3
155.04874	0.3
159.04236	0.3
165.01807	1.0
166.02603	0.3
173.05962	0.3
177.05411	0.4
179.03218	0.3
183.02895	0.4
187.03839	0.3
190.06213	0.3
200.04655	0.8
201.05516	1.9
203.03293	1.2
204.04070	0.4
205.78445	0.2
217.04932	3.7
218.05693	1.2
219.02914	0.6
223.22934	0.3
228.04170	3.3
229.04927	7.4
230.05298	0.5
231.02847	1.0
232.03571	0.4
236.10815	0.2
245.04434	3.7
246.05191	3.9
256.03656	0.6
257.04410	4.6
260.03116	0.7
261.07532	0.5
271.05817	0.3
273.03900	3.8
274.04678	6.4
275.05011	0.6
284.03210	0.7
285.03870	7.0
285.06839	0.5
286.04361	0.4
287.01917	0.4
288.06320	0.3
301.03452	0.5
302.04184	20.7
303.04556	1.5
306.64542	0.3
317.06516	100.0
318.06860	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
65.03925	1.1
67.05478	1.2
68.99767	0.9
69.03408	0.6
69.07063	0.5
70.06582	0.6
71.73647	0.3
71.74120	0.5
72.08136	0.7
79.05470	0.8
81.03384	0.5
81.07042	1.5
84.08124	1.1
86.09681	0.9
91.05473	1.2
92.02618	2.7
93.03392	2.7
93.07028	1.1
95.08578	1.2
97.02903	0.4
105.07011	0.8
107.04900	0.6
107.08585	0.9
109.02823	0.4
109.06486	0.9
109.10128	1.3
117.06946	0.4
119.08559	1.2
121.02870	2.0
121.06464	0.5
121.10097	0.5
123.04414	0.4
124.05241	0.4
126.03126	1.1
129.10213	1.3
130.06549	0.6
131.06912	0.5
133.10095	0.7
135.04378	0.4
135.08011	0.4
137.02318	1.5
137.05917	1.1
137.09715	0.4
139.03850	1.8
150.53986	0.4
151.03905	2.9
153.01796	17.8
154.02103	0.7
155.04933	0.4
161.13185	0.4
163.03938	0.5
165.01808	0.9
169.34303	0.4
177.05511	0.9
179.03346	0.5
183.04427	0.5
187.03868	0.4
187.10966	0.4
187.14619	0.4
200.04555	0.4
201.05443	1.5
203.03348	1.0
217.04964	2.7
218.05637	1.2
219.02928	0.8
228.04187	3.3
229.04951	6.6
231.02910	0.8
243.17513	0.4
245.04369	3.6
246.05167	3.0
256.03613	0.5
257.04465	3.8
261.07425	0.5
273.03922	2.9
274.04654	5.4
284.03064	0.6
285.03903	6.2
285.06851	0.6
299.10059	0.6
299.19675	0.5
301.03366	0.5
302.04166	20.6
303.04581	1.1
317.06509	100.0
317.21164	1.6
318.06934	5.2
335.06659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0648
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01861	0.3
65.03929	1.0
67.01832	0.2
67.05489	0.6
68.99775	0.5
69.03411	0.2
69.07035	0.3
69.64485	1.0
70.06577	0.2
72.08123	0.2
79.05479	0.6
81.03400	0.2
81.07049	0.9
84.08106	0.4
84.85787	0.1
86.09692	0.3
91.05475	0.7
92.02608	3.2
92.03194	0.2
93.02842	0.2
93.03386	2.9
93.07022	0.7
94.04169	0.2
95.01277	0.2
95.04940	0.3
95.08601	0.8
97.06519	0.2
103.05373	0.2
105.03350	0.1
105.07029	0.8
107.04955	0.1
107.08549	0.4
109.02808	0.2
109.06523	0.2
109.10123	0.6
110.07206	0.2
111.00777	0.5
111.04414	0.2
117.07004	0.3
119.08566	0.5
120.08087	0.2
121.02843	2.2
121.06515	0.3
121.10168	0.2
122.03614	0.2
123.11696	0.2
124.01572	0.2
126.03129	1.1
128.06198	0.2
129.06958	0.3
129.10223	0.1
130.06506	0.2
131.04897	0.2
131.08528	0.5
133.02794	0.2
133.10083	0.5
135.04407	0.2
135.11621	0.2
137.02304	0.8
137.05992	0.4
137.09579	0.2
139.03882	1.9
143.08527	0.2
145.06453	0.3
145.10106	0.3
147.11632	0.4
149.02322	0.3
150.03076	0.3
151.03883	1.6
151.04909	0.2
152.00946	0.2
153.01799	19.5
154.02187	0.4
155.04874	0.3
155.08464	0.2
157.10110	0.2
161.05991	0.2
161.13206	0.2
163.03902	0.4
165.01810	1.1
166.02582	0.4
170.02100	0.3
171.02788	0.2
171.04346	0.2
171.11635	0.2
172.05122	0.2
173.05946	0.5
173.09467	0.1
175.07532	0.2
176.04582	0.2
177.05447	0.4
179.03255	0.3
183.02898	0.3
183.04361	0.3
187.03897	0.3
189.05472	0.2
190.02606	0.2
190.06248	0.4
192.04089	0.2
200.04681	0.7
201.05466	1.9
203.03340	1.7
204.04105	0.4
211.03905	0.3
213.05463	0.2
217.04933	3.1
218.05655	1.1
219.02962	0.8
225.16374	0.3
227.17891	0.2
228.04131	4.1
229.04910	7.9
229.16153	0.1
230.05338	0.4
231.02820	1.3
232.03687	0.4
233.04446	0.2
239.03386	0.3
243.17453	0.4
245.04425	4.5
245.06956	0.3
245.18901	0.4
246.05168	3.7
246.07683	0.3
247.02223	0.2
253.15927	0.2
256.03552	0.6
257.04416	4.7
257.08890	0.3
258.05048	0.2
259.02319	0.1
260.03198	0.9
261.07584	0.5
271.06024	0.4
271.10715	0.3
271.16858	0.7
273.03909	3.6
274.04684	7.6
275.05182	0.3
284.03174	0.8
285.03885	7.9
286.04428	0.5
287.01822	0.3
288.06152	0.4
289.17795	0.6
299.10175	0.2
301.03384	0.5
302.04163	22.4
303.04605	1.2
316.05344	0.1
317.06497	100.0
318.06870	5.4
318.10815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2842
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03951	0.5
55.01868	0.5
55.05260	0.6
55.05508	4.3
56.05032	3.9
57.03424	0.8
57.07063	1.7
60.04520	100.0
60.42089	0.5
67.05498	9.8
67.05841	0.9
68.05040	0.8
69.07067	4.9
70.06575	1.3
71.08633	0.8
71.36908	1.0
72.04517	1.7
74.06069	1.6
78.33458	0.4
79.05492	4.4
80.05002	0.7
81.03424	0.5
81.07045	8.6
82.06575	1.6
83.08617	3.1
85.10238	0.5
86.06050	0.7
87.04449	0.6
90.05557	1.5
91.05462	2.9
93.07039	2.9
94.06563	0.9
95.04972	1.0
95.08592	7.6
96.08121	0.9
97.06528	1.2
97.10164	2.1
98.06023	0.6
100.07628	0.4
100.91641	0.5
105.07021	1.4
107.08586	2.0
109.10162	4.6
112.07601	0.9
119.08580	1.8
121.10126	1.6
122.09678	0.5
123.08052	0.9
123.11703	1.3
126.09040	0.5
133.10185	0.9
135.11699	0.8
137.09605	1.2
137.13354	0.5
147.11649	0.9
151.07538	1.0
162.42909	0.6
163.14803	0.6
235.71628	0.5
236.96054	0.4
243.32574	0.4
250.25403	1.4
256.26489	0.7
262.25327	1.8
268.26239	0.8
280.26352	13.0
281.26743	0.7
298.27402	14.0
299.27725	0.8
316.28445	37.2
317.06412	0.8
317.21109	1.8
317.28717	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49900	0.3
53.03944	0.5
55.05506	4.3
56.05027	3.6
57.03421	0.5
57.07074	1.7
57.77919	0.3
58.02949	0.5
60.04517	100.0
61.04834	0.4
63.51796	0.3
67.05494	9.3
68.05012	0.7
69.03414	0.4
69.07057	5.8
70.06586	1.1
70.87081	1.0
71.08626	0.7
71.60277	0.3
72.04506	2.3
73.02924	0.4
74.06081	2.1
79.05482	4.2
80.05015	0.6
81.03413	0.4
81.07048	8.9
82.06574	0.8
83.04970	0.6
83.08611	3.8
84.08166	0.4
85.06535	0.4
85.10169	0.5
86.06036	0.4
87.04469	1.1
90.05554	1.3
91.05463	2.7
93.07040	3.5
94.06567	1.0
95.04961	1.4
95.08593	7.3
96.08098	0.6
97.06500	1.1
97.10166	1.7
98.06075	0.4
100.07596	0.6
102.05509	0.4
105.07018	2.0
107.08579	3.1
109.10147	4.6
111.11693	0.6
112.07591	0.5
116.07073	0.7
119.08583	2.6
121.10122	1.7
123.08060	0.7
123.11715	1.3
133.10129	1.4
135.11703	1.0
137.08728	0.3
137.09576	2.0
145.10081	0.5
151.07549	2.2
158.98364	0.3
165.16539	0.4
188.57251	0.3
189.12721	0.7
206.24948	0.3
207.13805	0.6
239.18044	0.4
239.27495	0.3
250.25246	1.5
256.03738	0.3
262.25296	1.6
263.23630	0.5
268.26041	0.5
280.26331	12.4
298.27380	12.8
299.20132	0.5
316.28433	32.4
317.06531	1.3
317.20969	1.9
317.28839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.9
56.05025	1.6
60.04505	1.3
62.06071	2.6
64.74561	0.8
67.05482	3.1
68.04996	0.8
69.07038	1.8
70.02917	1.1
70.06573	2.0
70.18546	0.8
71.07384	1.5
71.07722	1.0
71.08615	15.2
72.08128	2.2
81.07056	3.9
84.04494	3.1
85.02886	9.6
86.06049	3.5
86.09702	1.0
91.05463	1.2
92.02617	1.0
93.03390	1.5
93.07014	4.7
94.06544	0.7
95.07307	1.6
95.08591	24.4
96.08115	3.5
97.06509	1.1
97.10162	0.9
98.09665	6.0
99.08092	5.5
100.07618	1.2
108.08109	3.5
110.09660	3.5
111.08045	1.1
116.10715	25.1
117.11039	0.8
120.08074	0.9
121.06478	1.8
122.09680	4.4
136.07745	0.8
136.11180	1.0
140.10674	1.6
141.11522	0.9
142.12285	1.7
143.10658	22.6
153.01826	4.8
154.12234	1.1
154.15904	1.4
164.10733	1.5
166.08670	0.8
170.66537	0.9
182.11745	2.8
196.16937	3.0
200.12787	100.0
201.13182	4.0
214.17989	37.8
215.18292	2.0
218.13860	11.8
228.04182	2.0
229.04866	2.2
236.64203	0.7
245.04405	1.3
253.68440	1.0
257.04419	2.3
273.03754	1.1
274.04654	2.4
279.33691	0.8
285.03763	2.7
298.20093	9.8
298.23322	1.3
299.20132	1.2
302.04141	7.3
316.21176	14.0
317.06525	35.3
317.21173	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2228
Annotation	Leu Ile Ala
Peak:m/z	Relative Intensity
52.04921	0.5
52.93383	0.5
55.05503	0.9
56.96559	0.7
60.04516	0.7
67.05481	0.5
68.05004	0.7
69.07055	2.1
70.06572	2.6
71.74288	0.8
72.08146	1.2
79.05468	0.9
84.04472	0.8
84.08131	2.5
86.09692	100.0
87.10038	0.9
91.05463	1.0
93.07024	1.0
97.02894	1.2
98.97598	1.1
112.00191	0.5
116.98628	1.3
119.08549	0.7
123.04503	0.5
125.20473	0.5
126.10860	0.6
129.10187	1.5
130.06520	1.9
132.04449	0.9
136.06055	0.5
137.05978	1.2
158.06003	0.8
183.08046	0.9
195.06464	0.8
199.18033	32.7
200.18361	1.2
203.13902	6.7
207.08076	0.8
227.17509	9.6
237.02975	0.8
243.11124	0.6
253.08607	1.5
260.67670	0.6
293.09128	1.2
294.21078	0.6
299.09796	0.6
316.11551	0.8
317.06601	2.4
317.11334	0.9
317.15472	0.9
317.21561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80123	1.4
56.05019	3.1
59.28619	1.5
60.04528	15.1
62.58039	1.4
65.72952	1.4
67.05495	1.7
69.03400	2.2
69.07052	2.5
70.01070	7.0
70.02930	1.7
70.06585	50.9
71.06899	2.3
72.08141	13.5
81.07043	3.1
81.30466	1.5
84.04472	4.2
84.08138	7.9
85.02899	2.0
86.09699	70.8
86.37459	1.8
87.05588	10.0
87.10018	2.4
102.05550	1.9
112.08731	1.7
116.07082	100.0
116.98650	1.8
119.08529	2.2
128.10696	5.8
129.10216	2.5
130.06511	4.5
132.04459	1.7
136.07578	2.9
149.05952	1.9
154.08618	2.1
155.06723	2.3
158.05923	2.0
171.14928	2.4
172.09709	2.0
173.12843	44.8
185.04178	2.5
201.12379	9.2
208.38960	1.6
231.55815	1.6
253.16425	1.7
256.06027	1.6
302.04199	2.2
316.05331	1.8
316.14523	2.7
316.17676	2.8
317.06540	6.6
317.11984	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60788	4.9
53.03930	6.5
55.01871	10.5
55.05495	19.0
56.44514	4.7
56.81208	4.8
57.03442	31.5
57.03660	5.5
58.91650	4.7
59.05006	5.4
61.02912	9.8
62.52725	4.2
67.05492	23.7
69.03429	34.9
69.07055	20.1
69.91686	26.8
69.92088	10.9
70.06571	11.0
71.04959	7.1
72.08127	9.7
73.02898	6.6
79.05479	23.4
81.03407	24.1
81.07045	45.6
83.04977	10.3
84.04485	17.3
85.02893	53.2
86.09695	32.7
91.05475	28.1
93.07039	76.6
95.04965	11.7
95.08601	31.7
97.02863	22.2
97.06514	12.1
99.04440	10.3
103.05449	9.4
105.07007	34.7
107.04980	9.1
107.08578	67.0
109.02852	9.4
109.06516	18.3
109.10122	19.5
111.04432	10.5
115.05379	5.4
117.07028	12.6
119.08578	39.2
120.08081	15.9
121.06515	10.6
121.08413	9.2
121.10129	18.3
122.08777	5.0
123.04379	12.5
123.08047	9.0
127.03909	10.6
129.06972	6.5
131.04924	10.0
131.08565	18.1
132.08090	4.9
133.10109	15.7
135.08015	12.9
135.11694	60.9
137.05934	6.8
141.05464	7.5
143.08585	10.5
144.08043	13.5
145.04936	7.8
145.10112	18.0
146.06073	6.3
147.08058	6.3
147.11671	14.8
149.13164	7.2
151.03995	5.3
153.12718	18.9
155.08513	6.4
157.10078	6.2
157.13385	15.8
158.05930	14.0
159.11685	10.9
160.07646	4.9
161.09613	7.3
161.13193	4.7
163.07585	6.3
163.11142	13.5
165.12778	22.2
169.07646	29.9
172.07515	5.1
173.09647	4.9
177.12790	6.5
193.12253	5.4
195.09235	6.5
201.12709	7.7
213.10222	10.1
219.13774	7.5
231.13683	11.0
240.08894	6.1
241.09685	35.9
243.13794	9.7
259.10767	69.3
261.14774	19.4
279.16010	13.7
287.13995	11.3
297.12396	10.8
297.17050	8.2
300.26392	5.3
315.04898	8.7
315.13315	100.0
315.17865	11.2
316.13892	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2527
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
55.05508	24.1
57.07069	4.2
61.22173	2.7
62.30994	3.0
63.16593	3.2
67.05499	80.3
68.70892	2.9
69.07060	31.7
69.84921	19.4
69.85332	5.4
71.04979	8.0
79.05472	23.6
81.07043	100.0
83.04935	4.4
83.08613	13.8
85.06536	10.5
87.04450	8.4
91.05467	14.9
93.07038	25.7
93.66790	3.1
95.04974	3.4
95.08591	89.2
97.06514	11.1
97.10162	10.5
105.06995	14.3
107.08581	26.9
109.06467	4.0
109.10141	44.7
110.74287	3.4
119.08575	16.6
121.10136	25.1
123.08075	5.5
123.11681	19.2
131.08557	8.9
133.10129	13.1
135.08081	6.6
135.11696	11.9
137.13231	10.9
145.10153	9.0
147.11676	11.1
149.13211	8.5
151.11180	3.9
152.92210	3.2
157.10094	4.6
159.11633	4.6
161.13255	14.1
163.14824	4.3
165.12767	7.1
173.13211	6.0
179.14320	5.4
213.12585	4.0
243.21077	10.0
261.22168	18.5
274.85428	3.0
279.23148	66.1
285.10049	3.9
297.24252	8.7
315.14835	4.3
315.19427	5.2
316.28125	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02197	0.6
55.05504	9.1
57.03155	1.3
57.03428	21.5
57.07068	62.7
59.04993	0.8
62.14424	0.6
67.05138	0.7
67.05497	12.3
69.07062	10.7
71.04942	0.8
71.08621	40.6
71.54988	1.0
79.05479	1.7
81.07053	17.7
83.08606	12.6
85.06535	1.2
85.10169	21.3
89.06028	3.7
93.06998	1.0
95.08597	25.5
97.06503	0.8
97.10159	8.2
99.11698	1.6
103.07578	1.7
109.10139	11.4
111.11715	1.4
117.03829	0.6
117.09089	0.7
117.94511	0.7
121.10144	0.8
123.11685	4.4
132.87329	0.7
137.13219	2.6
239.23703	4.5
257.24719	5.8
298.10577	0.7
313.27325	100.0
314.13876	0.8
314.27634	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.4
57.07034	0.4
61.01150	0.7
69.03424	2.2
70.05322	2.4
70.06574	2.0
72.08147	0.8
81.03375	0.5
84.04482	0.5
84.08149	1.0
84.42463	0.4
85.02904	1.3
89.06009	0.8
91.64087	0.4
95.06081	1.5
97.02885	43.7
98.03216	0.4
98.97622	0.7
101.99097	0.4
103.10529	0.5
108.08097	1.6
116.98583	0.5
119.01910	0.8
119.03542	1.1
127.03956	0.4
129.10321	0.4
134.09651	0.9
134.99695	0.7
136.06174	100.0
137.04651	0.6
137.06557	1.0
143.00609	0.4
143.01527	2.4
145.03441	0.6
148.06129	0.5
151.07515	0.5
152.07042	1.3
152.10672	1.6
153.90886	0.4
161.02692	1.0
163.01234	0.5
164.05643	5.7
178.07262	3.3
179.03735	1.8
184.21950	0.5
186.99164	0.4
197.02754	0.5
211.14571	1.0
233.60983	0.5
248.07784	0.6
248.99178	0.7
270.21698	0.6
296.08133	2.6
314.09137	5.9
314.12613	1.5
314.16547	0.6
314.27936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.2
57.03159	0.8
57.03432	24.4
57.07069	69.1
67.05502	12.9
69.07060	10.9
70.06158	2.1
70.06564	3.1
71.08622	40.9
79.05473	1.7
81.07048	18.2
83.08607	10.4
85.10172	21.7
89.06013	2.5
91.73006	0.9
93.07032	1.6
95.08594	24.2
96.92220	0.8
97.06542	1.0
97.10164	6.3
99.11682	1.5
101.46079	0.9
103.07561	2.7
107.08550	1.2
109.10152	10.4
111.11663	1.5
118.36037	0.9
121.10131	1.7
123.11690	4.4
134.23898	0.8
134.24910	0.8
137.13234	2.0
157.67227	0.8
165.68561	0.8
195.95551	0.9
239.23683	4.1
241.08522	0.8
257.24722	5.6
264.97516	1.0
298.10855	1.6
313.27335	100.0
314.27646	5.0
325.23730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.0
55.67317	0.5
57.03156	0.8
57.03432	15.8
57.07069	52.1
66.08483	0.6
67.05496	9.5
69.07061	9.3
71.04948	0.6
71.08622	33.8
71.20922	0.9
75.04439	0.7
76.46407	0.5
79.05477	1.1
81.06601	0.8
81.07050	13.4
83.08611	10.7
85.06530	0.7
85.10173	19.2
89.05999	2.2
91.05467	0.8
93.07023	1.3
95.08598	18.9
97.06493	0.9
97.10156	5.6
99.11716	1.1
103.05466	0.9
103.07552	1.8
105.06952	0.6
107.08577	1.2
109.10136	8.4
111.11702	1.3
114.84293	0.6
117.09050	0.6
123.11698	3.1
123.76900	0.5
125.13313	0.5
131.04852	0.7
135.11659	0.6
137.13208	1.7
147.67537	0.5
148.05127	0.6
151.14867	0.6
175.03830	0.7
221.22795	0.5
239.23756	2.9
257.24744	3.1
298.10910	0.9
299.11447	0.6
307.93539	0.6
308.41534	0.5
313.27332	100.0
314.13773	1.5
314.27701	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2157
Annotation	Longithorone K
Peak:m/z	Relative Intensity
55.01857	3.4
55.05500	16.9
57.07077	7.6
57.32944	3.0
58.82888	3.5
61.35510	2.9
65.03940	4.1
67.05502	21.7
69.03402	3.4
69.07063	25.5
71.04977	4.2
71.08595	5.3
71.75217	4.2
73.76378	3.4
79.05489	20.9
80.48197	3.3
81.07047	31.8
83.04973	10.2
83.08617	8.4
86.04171	3.6
91.05469	26.4
93.07040	23.3
95.04961	9.7
95.08600	32.5
97.06513	20.6
103.05469	11.5
105.07012	51.0
107.08574	24.8
109.06521	10.5
109.10148	24.8
117.07010	11.7
119.08566	40.6
120.08992	3.3
121.06500	8.5
121.10129	59.4
123.08079	12.4
123.11696	9.5
125.05960	17.1
128.06255	10.8
129.07013	11.4
131.04933	8.9
131.08539	15.3
133.10118	28.5
135.04399	6.3
135.08035	7.4
135.11684	10.6
137.05945	4.4
137.50313	3.7
139.07455	3.7
141.07008	7.4
142.07761	15.4
143.08534	16.0
144.09338	4.0
145.10104	46.0
147.11690	12.9
148.05156	5.7
149.09644	4.2
149.13190	5.2
151.07495	7.1
153.06960	5.3
155.08528	12.4
156.09384	6.5
157.10112	38.1
159.08023	6.4
159.11676	19.0
161.09613	19.3
161.13252	8.7
163.07504	7.6
165.06839	4.9
165.50951	3.3
167.08484	5.3
169.10089	19.0
170.10869	4.2
171.11641	21.8
173.09634	8.0
173.13297	8.8
175.04001	5.5
175.11168	5.2
175.14827	8.6
176.04608	5.6
179.08517	3.8
181.10115	6.8
182.10933	5.2
183.11688	15.8
184.12520	3.5
185.13286	11.9
187.03770	4.6
187.14821	10.4
191.10683	6.9
193.10188	4.7
195.11635	9.9
197.13263	19.7
199.07680	7.6
199.14806	18.4
203.10715	4.6
203.14265	4.7
206.10916	3.4
207.11722	5.0
208.12575	4.0
209.13231	16.5
211.11136	4.2
211.14781	13.2
213.12697	4.3
213.16347	4.6
221.13225	13.3
223.14801	4.8
225.12866	6.5
225.16422	4.9
227.14417	4.6
235.14931	4.9
239.14326	7.6
239.17996	13.6
241.08694	6.2
241.12206	6.4
243.13799	4.2
253.15767	4.6
254.20245	4.5
257.15332	8.0
265.19476	6.4
267.21088	10.2
277.19464	8.2
283.49124	3.8
295.20560	22.2
298.10632	11.4
299.11374	6.4
313.06891	4.6
313.10947	4.9
313.14374	7.8
313.18134	3.4
313.21539	100.0
313.27402	11.2
314.13849	23.5
314.22086	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	32.4
55.35631	6.1
57.03406	8.1
57.07061	30.4
67.05499	58.4
67.08920	6.6
69.03423	7.8
69.07058	59.2
71.04975	46.6
71.08623	24.6
71.14981	12.5
78.58310	6.7
79.05492	37.6
81.03413	11.1
81.07037	56.4
83.04985	21.0
83.08607	12.7
85.06544	18.7
85.10172	22.2
91.05473	51.2
93.07033	64.9
95.04951	28.5
95.08588	60.8
97.06511	45.7
97.10123	10.6
99.08083	15.7
103.05457	24.8
105.07024	74.5
107.04991	7.8
107.08578	38.1
108.81472	6.8
109.06478	17.2
109.10135	24.9
111.08111	8.9
111.11668	8.3
113.09610	32.6
115.05454	11.1
117.07014	19.0
117.64029	6.9
119.08565	52.4
121.06493	17.4
121.10133	60.1
123.08046	14.3
123.11697	9.3
125.09583	8.9
128.06206	16.6
129.06987	11.4
131.04904	20.8
131.08546	37.5
133.06477	9.0
133.10101	37.4
135.04413	15.0
135.08006	8.9
135.11697	10.9
137.06000	8.2
137.09570	13.5
139.11192	8.8
141.12689	12.4
142.07800	13.7
143.08563	25.2
145.10147	68.0
147.11674	23.9
149.09636	16.4
155.08514	19.3
156.09343	16.0
157.10118	44.9
159.11700	24.8
161.05939	8.0
163.07523	9.6
163.11201	11.3
165.12746	8.0
167.10670	9.2
169.10153	22.6
169.12189	8.9
171.11682	41.5
173.09616	17.1
173.13254	27.3
175.03865	18.6
175.11200	14.6
177.12830	6.3
179.08499	16.9
181.10095	15.7
182.10851	9.6
183.11700	20.6
185.13232	19.9
187.03745	6.1
187.11324	8.2
189.12886	8.7
194.10901	9.3
197.13264	31.3
199.07603	10.0
199.14886	23.8
205.07486	6.0
209.13261	29.8
211.14848	18.3
213.16212	6.6
215.14490	7.6
227.14275	21.4
239.14392	9.0
241.08472	15.9
241.12268	13.6
241.19411	9.0
253.19510	7.8
255.17323	10.4
277.21671	33.8
295.20279	23.4
295.22739	30.8
298.07394	7.9
298.10745	26.1
299.11472	17.4
313.10764	12.8
313.14224	7.7
313.18143	11.5
313.21594	100.0
313.24799	11.9
313.27582	11.0
314.13763	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.3
56.06178	2.3
56.96527	3.0
57.03398	3.3
61.02906	8.9
69.03433	15.1
69.03725	2.7
69.05427	3.0
69.07067	17.0
70.06577	5.5
70.54851	7.4
70.55241	5.5
71.04990	2.8
72.08170	2.8
73.02914	6.8
77.78962	2.3
81.03413	10.0
83.29380	2.3
84.08131	5.0
85.02896	100.0
86.09710	7.2
87.04411	3.2
87.08082	11.8
90.63363	2.6
91.03927	8.7
92.15601	2.9
97.02892	25.7
103.05476	5.6
105.07029	3.0
107.04932	3.1
109.02837	4.8
127.03909	29.6
129.10201	4.1
130.04961	3.1
131.92867	2.6
133.08546	3.1
145.04945	46.5
163.06020	9.5
250.08795	3.3
312.18097	19.9
312.32635	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.154
Annotation	Phe Phe
Peak:m/z	Relative Intensity
53.03931	0.5
55.05484	0.5
57.03427	0.7
57.07064	0.9
62.38256	0.3
67.05490	0.5
69.03420	0.3
69.59007	2.4
70.06567	0.5
77.03920	0.3
79.05485	0.5
81.03424	0.4
81.07032	0.7
84.08128	0.3
85.02899	0.4
86.09686	0.3
91.05457	1.7
93.07048	2.3
95.04959	0.9
95.08575	0.4
103.04823	0.6
103.05453	8.1
105.07013	0.6
109.10172	0.4
116.97270	0.4
117.26069	0.3
119.76511	0.3
120.08087	100.0
121.06480	0.6
121.08414	1.4
123.04416	0.9
131.04938	1.1
133.06471	0.5
135.04385	0.5
137.05986	1.0
145.10069	0.3
146.05980	0.4
148.05139	0.6
149.05980	0.9
151.03825	0.6
163.07588	0.5
165.01869	0.5
165.06947	0.3
166.08609	4.6
189.09012	0.3
191.07059	0.3
224.54706	0.3
241.08435	0.4
267.14877	0.6
270.05356	0.4
295.05923	0.4
298.04828	0.6
310.96466	0.3
313.07135	3.3
313.10818	1.2
313.15164	2.1
313.27396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01854	2.6
55.05502	57.0
57.03154	1.1
57.03427	21.5
57.06789	1.5
57.07063	26.6
58.14070	0.7
60.21621	0.8
67.05490	9.2
69.07056	64.6
71.08617	18.5
73.02892	1.7
74.88915	0.7
75.54825	0.8
79.05480	5.4
81.07048	10.8
83.04944	1.3
83.08605	56.4
85.06503	1.0
85.10161	7.3
91.05466	0.7
92.50494	0.8
93.07030	6.6
95.04910	0.9
95.08576	8.2
97.06540	4.8
97.10154	41.3
107.08583	4.3
109.10140	2.7
111.08070	3.0
111.11709	12.5
121.10102	6.0
123.11649	1.6
125.09605	1.7
125.13246	3.3
135.11668	5.6
137.13206	1.0
139.11180	1.6
139.14842	1.0
149.13251	2.9
152.20399	0.8
163.14777	1.1
181.15775	0.9
219.21097	1.9
237.21980	1.6
311.25751	100.0
312.26065	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2575
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.11621	1.0
53.03928	1.6
55.01860	2.5
55.05505	54.0
56.05841	1.1
56.57279	0.8
57.03160	1.1
57.03428	22.0
57.06792	1.5
57.07067	26.7
60.17470	0.8
67.05494	7.9
69.07058	63.4
70.07386	1.4
70.79369	3.0
71.08624	16.1
73.02889	1.5
79.05492	6.1
81.07043	11.9
83.04963	1.6
83.08609	53.0
85.10168	6.5
93.07021	7.6
95.08603	7.4
97.06510	6.6
97.10158	39.0
97.44385	0.8
107.08573	5.5
109.10120	3.5
111.08067	2.9
111.11703	12.7
121.10104	7.5
123.11675	1.2
125.09615	2.7
125.13253	1.7
129.05437	1.1
135.11679	5.1
137.13246	1.6
139.11143	1.9
149.13216	2.9
167.14296	0.9
189.25105	1.1
219.21042	1.9
222.95724	0.9
237.22049	1.4
311.25763	100.0
312.26178	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2575
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.01851	9.0
55.05501	82.1
57.03428	15.0
57.07066	29.3
60.67354	5.0
67.05496	95.4
69.03418	8.2
69.06731	7.3
69.07066	90.1
70.34961	24.4
71.04962	7.1
71.08611	18.4
79.05489	42.0
81.06604	7.4
81.07047	100.0
83.04948	11.5
83.08604	61.5
85.06551	8.7
89.60915	6.0
91.05454	12.7
93.07006	52.5
93.10750	5.8
95.08604	74.3
97.06487	20.5
97.10155	67.7
99.08080	11.7
105.07035	7.0
107.08574	46.7
109.10133	45.4
111.08042	9.1
119.08549	7.6
119.53901	6.1
121.10094	26.0
123.11665	18.7
125.09637	43.3
125.64014	5.4
131.08539	8.3
133.10097	14.1
135.04373	25.3
135.08034	15.0
135.11693	32.8
137.13251	14.4
137.38853	6.0
147.11647	14.7
149.13210	9.6
153.12749	12.0
161.09576	28.3
161.13223	8.8
165.12685	7.7
173.13202	13.0
181.12242	9.4
203.12737	15.5
209.11673	31.2
209.15181	8.2
233.22571	7.9
237.11185	30.3
243.21103	16.9
261.22141	38.0
279.23206	64.9
293.58060	6.0
311.16339	16.7
311.25806	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.9
55.01848	2.9
55.05504	36.7
57.03421	15.5
57.07068	15.8
58.27921	2.8
67.05500	41.7
69.07058	80.4
69.61774	27.2
71.04982	5.0
71.08608	4.5
79.05484	29.3
81.03392	3.3
81.07049	50.0
83.04964	3.4
83.08618	33.3
85.10152	6.5
91.05476	40.0
93.07034	100.0
95.04948	57.7
95.08596	89.4
97.06522	34.6
97.10163	19.6
98.21481	6.9
103.05492	5.4
105.07018	81.1
107.08581	53.1
109.06493	13.6
109.10141	43.1
111.11694	7.3
115.05383	4.7
117.06983	17.4
119.08561	74.2
121.06496	20.5
121.10134	59.6
123.08064	23.7
123.11744	15.7
130.07768	3.9
131.08569	20.0
133.10114	46.0
135.08044	11.4
135.11653	17.0
137.13203	6.9
142.07787	10.0
143.08528	18.2
144.09349	3.4
145.06302	3.3
145.10095	40.7
146.11023	3.1
147.11667	25.0
149.09584	5.2
155.08499	6.9
156.09343	5.7
157.10106	28.5
159.08012	5.2
159.11658	53.6
161.09570	8.2
161.13289	10.4
163.14803	4.4
169.10118	14.2
171.11691	19.3
173.13258	13.9
175.11119	3.9
175.14821	10.8
177.16397	25.3
183.11691	9.8
185.13191	10.4
187.11176	7.9
187.14761	7.0
189.12834	4.2
189.16353	19.5
191.17969	3.6
193.10071	5.8
195.11674	7.0
197.13246	8.9
199.14876	7.9
201.16277	13.1
203.17920	5.6
209.13275	6.7
211.14778	15.8
213.16354	5.0
215.17967	7.8
219.17485	6.1
223.14815	8.6
225.16280	3.7
237.11392	3.9
237.16289	8.6
255.17589	7.6
255.21056	5.8
293.22559	10.2
311.23575	32.3
311.26166	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27346	2.8
53.03952	3.5
54.55785	2.8
55.01875	7.5
55.05505	23.9
57.03426	10.4
57.07074	32.1
59.04988	2.6
67.05500	33.8
69.03425	4.7
69.07056	25.6
71.04974	7.9
71.08632	6.3
71.74924	5.3
79.05488	29.6
81.03426	5.0
81.07052	47.3
83.04970	15.9
83.08616	11.1
85.02927	3.2
85.06550	4.4
91.05479	24.2
93.07043	38.8
95.04978	9.3
95.08607	29.9
97.06539	14.5
97.10166	11.0
99.08082	6.1
105.07014	17.3
106.07433	2.9
107.04928	6.4
107.08572	25.2
109.02823	4.4
109.06512	5.8
109.10152	15.3
109.28545	2.8
111.04436	21.3
111.08059	10.7
117.07006	7.4
119.08591	20.6
120.27258	2.8
121.06466	5.5
121.10139	26.2
123.08070	6.5
123.11795	4.3
125.05978	6.9
125.09633	7.6
129.06973	3.2
131.08565	13.5
133.10098	15.5
135.04376	3.6
135.08052	4.9
135.11722	6.3
136.71014	2.7
137.09564	5.2
139.11174	12.8
143.08543	4.4
145.10130	13.5
147.08141	4.2
147.11684	6.4
149.02327	6.2
149.09622	13.5
149.33177	2.9
153.05429	21.4
157.10164	3.3
159.11647	7.3
161.13284	5.0
163.11191	10.6
163.14752	3.5
171.11737	4.2
173.13275	5.2
175.11115	3.4
177.12772	4.3
177.77559	3.3
179.13545	3.1
181.05008	5.2
181.12196	7.6
187.07402	3.1
189.11261	5.9
191.10689	11.5
193.05037	16.8
196.62523	4.9
203.12762	9.1
207.13635	3.0
209.11714	100.0
215.26514	3.1
224.65697	4.0
233.19089	2.8
237.11211	84.2
255.12279	13.2
257.18948	6.5
275.20068	44.9
293.17810	4.4
293.21103	19.1
311.12689	7.9
311.16269	3.6
311.19952	8.7
311.24582	22.6
311.74701	8.3
325.51407	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60634	1.5
53.03940	1.7
55.01855	4.8
55.05503	9.7
57.03428	3.7
57.07071	2.4
59.79186	1.5
67.05495	24.4
69.03416	3.0
69.07051	18.5
70.01824	4.5
70.02242	5.0
71.04985	3.8
79.05490	23.3
81.03419	3.6
81.07048	24.6
83.04963	4.8
83.08613	5.1
85.06539	2.5
86.55602	1.4
91.05459	15.1
93.07021	15.2
95.04965	3.6
95.08601	19.3
97.06517	67.3
97.10157	4.9
98.20803	2.7
99.08095	2.3
105.07030	12.8
107.08559	12.2
109.06461	3.3
109.10143	9.6
111.08061	2.9
111.11730	1.4
115.05448	4.2
117.07019	4.3
119.08562	11.8
121.06492	1.7
121.10147	8.8
123.08029	1.7
123.11708	2.6
125.09612	3.4
128.06215	2.5
129.07010	4.4
131.08554	12.6
133.10107	10.5
135.08014	3.3
135.11674	3.9
137.09622	2.4
139.11195	2.0
141.06984	19.7
142.07761	2.6
143.08578	3.0
144.05724	2.1
145.06549	1.9
145.10132	8.1
147.11655	6.4
149.09647	6.0
157.06490	4.7
157.10156	4.2
159.08080	2.7
159.11679	4.4
161.09599	1.8
161.13312	2.4
163.11238	4.7
167.08525	1.9
169.06479	12.2
169.10126	4.3
170.07156	1.4
171.11684	2.1
173.06003	2.3
173.13222	2.6
179.06841	1.7
179.08470	1.6
181.06494	2.8
183.08063	3.2
183.11801	2.7
185.05989	3.2
186.06738	2.5
187.07463	12.9
197.05951	8.4
197.09642	4.3
205.08545	1.8
211.11244	3.3
213.05489	3.3
213.09064	2.9
215.06981	28.5
215.10616	10.6
225.05440	4.4
225.09145	4.6
225.12852	2.3
239.10631	3.1
239.17978	2.7
257.19070	4.3
267.10330	3.4
267.13751	3.8
275.20056	28.6
293.21179	5.5
305.78851	1.6
311.05383	5.1
311.12802	100.0
311.16412	19.5
311.19998	2.1
311.29498	1.7
312.13141	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2211
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.27346	2.8
53.03952	3.5
54.55785	2.8
55.01875	7.5
55.05505	23.9
57.03426	10.4
57.07074	32.1
59.04988	2.6
67.05500	33.8
69.03425	4.7
69.07056	25.6
71.04974	7.9
71.08632	6.3
71.74924	5.3
79.05488	29.6
81.03426	5.0
81.07052	47.3
83.04970	15.9
83.08616	11.1
85.02927	3.2
85.06550	4.4
91.05479	24.2
93.07043	38.8
95.04978	9.3
95.08607	29.9
97.06539	14.5
97.10166	11.0
99.08082	6.1
105.07014	17.3
106.07433	2.9
107.04928	6.4
107.08572	25.2
109.02823	4.4
109.06512	5.8
109.10152	15.3
109.28545	2.8
111.04436	21.3
111.08059	10.7
117.07006	7.4
119.08591	20.6
120.27258	2.8
121.06466	5.5
121.10139	26.2
123.08070	6.5
123.11795	4.3
125.05978	6.9
125.09633	7.6
129.06973	3.2
131.08565	13.5
133.10098	15.5
135.04376	3.6
135.08052	4.9
135.11722	6.3
136.71014	2.7
137.09564	5.2
139.11174	12.8
143.08543	4.4
145.10130	13.5
147.08141	4.2
147.11684	6.4
149.02327	6.2
149.09622	13.5
149.33177	2.9
153.05429	21.4
157.10164	3.3
159.11647	7.3
161.13284	5.0
163.11191	10.6
163.14752	3.5
171.11737	4.2
173.13275	5.2
175.11115	3.4
177.12772	4.3
177.77559	3.3
179.13545	3.1
181.05008	5.2
181.12196	7.6
187.07402	3.1
189.11261	5.9
191.10689	11.5
193.05037	16.8
196.62523	4.9
203.12762	9.1
207.13635	3.0
209.11714	100.0
215.26514	3.1
224.65697	4.0
233.19089	2.8
237.11211	84.2
255.12279	13.2
257.18948	6.5
275.20068	44.9
293.17810	4.4
293.21103	19.1
311.12689	7.9
311.16269	3.6
311.19952	8.7
311.24582	22.6
311.74701	8.3
325.51407	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.44708	2.9
52.67306	2.9
53.03928	4.4
55.01869	39.4
55.05505	50.3
57.03423	5.0
57.07054	7.4
57.38477	2.8
65.03893	3.1
66.11371	2.9
67.05496	53.1
69.03407	7.2
69.07054	35.2
71.04978	15.0
71.29140	5.5
79.05486	77.9
81.03405	7.3
81.06599	5.7
81.07047	81.1
83.04972	41.2
83.08237	2.9
83.08612	31.5
85.02867	3.1
85.06536	7.8
91.05466	34.4
93.07030	42.3
95.04956	22.7
95.08588	37.8
97.06520	94.3
97.10162	39.8
99.04398	4.2
99.08060	4.2
100.99422	2.7
105.07025	30.6
107.04960	5.2
107.08587	100.0
109.06488	13.0
109.10142	15.8
111.04407	7.4
111.08060	10.8
113.05976	11.3
115.05434	5.2
117.07001	13.4
119.08570	18.6
121.06496	6.8
121.10142	23.0
123.04363	3.0
123.08035	5.9
123.11667	3.9
125.05955	6.9
125.09612	78.6
128.06195	4.3
129.07002	8.6
131.08540	21.3
133.10091	10.2
135.08029	6.2
135.11636	14.7
137.05956	3.1
139.11151	8.5
141.06982	31.1
144.05621	4.0
145.06458	3.5
145.10109	15.8
146.11214	2.6
147.08055	3.1
147.11659	12.7
148.03162	2.7
149.05901	4.3
149.09610	13.4
149.13171	4.8
153.09131	5.5
153.12727	18.6
157.10071	3.6
159.08003	3.6
159.11682	12.2
161.13319	5.4
163.11157	15.2
167.10675	8.9
169.06461	11.5
169.10085	6.1
173.05928	3.2
173.13225	4.3
175.11185	3.1
177.12701	9.4
181.12216	8.1
185.05894	4.2
186.06689	3.9
187.07506	10.0
187.11194	4.3
189.11215	29.1
190.60800	3.4
197.05928	3.7
205.12233	9.5
209.11569	3.4
211.10999	3.5
211.13251	6.6
213.14832	5.3
214.06123	7.5
215.07002	47.5
215.10646	7.5
223.13326	18.8
225.09023	3.5
239.18147	3.5
241.08536	3.6
251.16238	3.9
257.18994	11.0
275.20059	71.2
293.21088	54.8
311.12784	80.2
311.16290	12.2
311.19745	4.2
312.12976	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01870	8.1
55.05499	18.0
57.03428	5.4
57.07063	29.6
67.05502	21.3
69.07056	14.1
71.08617	12.1
79.05473	16.1
81.07035	23.5
83.04993	15.3
83.08614	16.3
91.05477	6.7
93.07014	15.2
95.04968	6.8
95.08597	16.5
97.10169	9.9
99.08128	6.2
105.07038	13.1
107.04966	6.3
107.08579	12.1
109.02853	9.7
109.10155	8.3
111.04432	18.6
117.07109	5.6
119.08553	4.1
121.06513	7.3
121.71270	4.8
133.10132	5.5
135.11699	6.6
143.08521	5.7
145.10127	7.3
149.05855	4.5
149.09592	8.9
153.05437	17.4
163.11154	9.6
177.12605	4.6
183.11586	5.8
191.10658	11.4
195.13797	6.2
208.16382	4.9
209.11702	100.0
209.13531	8.9
222.07355	4.7
237.11186	94.7
237.27148	4.2
255.12218	17.1
275.20062	9.8
293.18030	6.9
293.21103	98.0
311.19986	19.3
311.25839	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2784
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
55.01857	5.4
55.05270	2.0
55.05507	30.2
56.92599	1.7
56.96537	3.3
57.03405	2.9
57.07064	25.3
59.04986	2.1
65.88069	1.5
67.05499	44.7
69.03414	2.5
69.07062	56.2
71.04977	6.0
71.08629	14.3
79.05478	25.6
81.03409	2.2
81.07047	100.0
82.07365	2.8
83.04950	5.3
83.08163	2.6
83.08611	29.5
85.06528	5.5
85.10167	3.6
91.05468	16.1
93.07033	34.2
95.04958	9.8
95.08596	92.0
96.08949	2.1
97.06516	14.2
97.10155	18.2
99.08076	2.8
101.05980	1.9
105.07011	26.7
107.08578	28.4
109.06493	5.4
109.10143	46.2
111.08076	10.6
111.11693	10.9
117.07000	2.2
119.08569	21.1
121.10122	20.0
123.08061	4.2
123.11689	28.0
125.09641	2.3
125.13288	4.0
127.07523	2.9
129.07014	2.4
131.08548	3.3
132.40541	1.6
133.10107	14.0
135.08012	2.7
135.11694	17.4
137.09589	9.6
137.13222	11.7
139.11153	4.4
141.06905	1.9
143.08441	2.2
145.10089	3.6
147.04419	2.0
147.11671	17.5
149.13237	11.4
151.11157	2.1
151.14833	3.9
153.12735	4.2
155.10655	4.7
157.10150	2.1
161.09648	2.8
161.13228	10.1
163.14804	6.4
165.12720	5.5
165.16333	2.2
167.08698	2.3
175.14807	3.5
177.16385	4.1
179.14310	2.4
183.13928	1.9
189.16364	4.2
191.17940	3.3
197.05847	1.9
203.17957	3.1
209.06415	1.8
213.09097	2.6
217.19478	3.7
217.40236	1.8
241.08479	2.2
273.25705	15.5
291.19595	3.7
291.26779	14.8
309.11172	4.4
309.14700	5.9
309.20609	4.2
309.27844	23.6
316.30524	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2784
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
50.80962	1.5
52.33388	1.5
53.03932	6.8
55.01850	4.9
55.05503	31.5
55.47408	1.6
56.05050	1.6
57.03413	4.1
57.07067	19.2
59.04752	1.5
59.04993	17.8
63.51493	1.5
65.03915	3.2
67.05135	2.2
67.05495	42.8
69.03403	6.5
69.07057	82.4
70.92919	5.9
71.04973	6.9
71.08623	9.9
73.06520	4.4
79.05478	19.0
81.03403	18.0
81.07044	100.0
82.07381	1.8
83.04939	4.4
83.08603	34.6
85.06529	13.0
85.10163	2.4
91.05465	13.2
92.56724	1.5
93.07033	30.4
93.59348	1.7
95.04939	7.7
95.08595	73.6
96.08896	1.9
97.06538	8.6
97.10149	11.1
98.98442	1.9
99.08068	8.5
105.07032	15.7
107.04913	2.2
107.07906	2.4
107.08580	37.2
107.55093	1.5
109.02860	23.6
109.06474	7.3
109.10143	60.0
110.03645	4.8
111.04421	4.2
111.08072	33.0
111.11697	7.3
117.07013	2.4
117.09088	2.6
119.08554	8.6
121.10130	20.5
123.08052	2.0
123.11687	40.5
125.02335	3.8
125.09621	3.9
125.13245	4.4
126.03097	2.3
127.03877	6.5
127.07596	1.9
129.06941	2.0
131.04897	1.7
131.08516	3.3
133.10106	7.0
135.08018	8.3
135.11684	19.4
137.09596	29.6
137.13225	16.4
139.11156	4.7
143.14256	1.9
145.10103	2.4
147.04402	2.5
147.07919	1.8
147.11684	8.1
149.09541	2.7
149.13231	16.0
151.11218	3.0
151.14816	2.3
151.39848	1.6
153.12695	9.2
161.13243	4.6
163.07571	3.2
163.11229	2.0
163.14786	7.0
165.06950	2.2
165.09088	19.6
165.12740	7.7
175.14740	2.7
177.16339	4.6
179.14259	3.9
182.15320	2.1
189.16469	2.2
191.17923	3.8
203.17938	2.8
205.19476	1.7
209.19002	3.8
217.19452	2.1
251.06937	2.0
263.06970	2.1
269.10468	1.7
273.18445	1.7
273.25793	5.6
277.08557	1.9
278.09369	2.0
279.06516	2.0
291.26752	17.2
294.08670	1.8
309.07764	2.7
309.13425	29.8
309.27856	23.7
310.13855	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2783
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03934	4.9
55.01859	4.5
55.05504	26.8
57.03429	13.2
57.07064	9.4
59.04979	3.4
65.03925	2.6
67.05135	1.5
67.05497	44.2
69.03415	5.8
69.07060	56.3
70.06583	1.3
70.86366	1.7
70.86723	3.6
71.04998	6.0
71.08610	4.2
73.06561	1.6
79.05484	23.5
81.03415	15.2
81.07044	100.0
82.07363	2.9
83.04964	6.0
83.08605	23.2
84.28051	1.1
85.02901	2.5
85.06534	13.0
91.05463	12.8
93.07034	33.2
93.19516	1.1
95.04956	10.4
95.08592	55.3
96.08965	2.0
97.02869	2.2
97.06526	11.1
97.10154	8.7
98.98409	1.6
99.04479	1.7
99.08078	23.2
105.03345	1.2
105.07007	15.2
107.04937	5.0
107.07923	1.0
107.08576	32.8
109.02863	18.4
109.06502	14.2
109.09393	3.0
109.10142	55.8
110.03667	2.2
110.10482	1.4
111.04431	4.9
111.08066	17.2
111.11712	8.7
113.05972	1.3
115.05418	1.2
115.07544	1.7
117.07000	5.6
119.08575	12.4
121.06496	3.1
121.10137	15.4
122.10417	1.3
123.08050	3.3
123.11687	26.5
125.02306	2.7
125.09608	4.7
125.13246	2.1
126.03141	1.5
126.13321	1.4
127.03892	6.5
127.07541	8.2
129.06987	3.2
131.08516	6.3
133.06442	1.5
133.10106	8.7
135.08058	8.2
135.11671	12.4
137.06027	1.9
137.09601	22.6
137.13217	7.4
139.11165	3.9
141.12698	2.0
143.08548	5.7
145.10089	3.8
147.08037	3.5
147.11646	5.8
149.09596	4.1
149.13239	13.3
151.14809	2.7
153.09007	1.4
153.12759	10.0
155.10699	2.0
157.10123	5.5
159.08118	1.4
159.11676	2.9
161.09602	3.8
161.13269	2.5
163.07550	2.8
163.11154	2.1
163.14801	4.5
165.09085	16.5
165.12813	2.9
167.10667	1.6
167.14224	2.1
171.11713	2.4
173.09618	1.5
173.13194	2.3
175.11191	3.5
175.14728	1.6
177.16469	2.0
185.13226	2.4
189.12723	1.5
189.16386	1.5
193.15771	1.5
203.14421	1.5
207.13844	2.0
213.12741	1.7
217.15825	2.8
219.13823	2.1
220.43756	1.2
231.13747	9.4
233.18124	1.4
235.16917	1.7
263.12769	1.2
263.20197	2.0
273.18530	7.3
273.25693	2.1
282.05188	1.8
291.19470	14.8
291.23013	1.8
291.26660	9.8
294.05396	1.3
309.07504	2.6
309.10715	1.6
309.13351	23.5
309.20493	9.8
309.27759	22.1
310.08221	1.4
310.13602	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2783
Annotation	Viteagnusin D
Peak:m/z	Relative Intensity
50.74435	1.5
53.03938	3.6
55.01860	10.0
55.05500	28.6
55.44063	1.6
57.03421	7.7
57.07066	17.3
59.04982	6.5
65.03933	3.3
67.05495	51.0
69.03403	5.1
69.06679	3.3
69.07057	66.0
70.07397	2.3
70.44170	3.5
70.44568	2.7
71.04979	12.6
71.08614	7.7
73.06522	2.3
79.05481	33.6
81.03391	5.3
81.07043	100.0
82.07409	2.1
83.04951	4.4
83.08601	36.6
85.06534	9.5
85.10159	3.6
91.05462	27.8
92.80230	1.5
93.07028	47.8
94.07346	2.0
95.04967	8.9
95.08592	94.5
96.08909	2.8
97.06509	17.6
97.10153	13.9
99.08064	6.0
101.05987	1.7
105.07023	24.7
107.08579	41.5
109.02818	3.8
109.06487	6.4
109.10137	44.4
110.10478	1.8
111.08066	54.7
111.11693	6.0
113.09618	2.4
115.07580	1.9
117.06982	4.9
119.08561	24.6
121.10130	29.4
123.08027	6.4
123.11678	26.5
125.09592	6.9
129.06967	2.0
131.08554	6.7
133.10120	16.4
135.08012	3.8
135.11658	12.8
137.09618	7.8
137.13242	9.1
139.11119	7.0
143.08467	3.2
145.10062	4.3
147.04411	2.3
147.08000	2.5
147.11681	13.8
149.13239	14.3
151.11137	4.0
151.14803	2.4
153.09056	1.5
153.12743	2.7
155.00900	1.7
157.06528	1.7
157.10080	3.5
159.11682	2.7
161.13261	8.8
163.11142	2.6
163.14787	5.7
165.09085	2.0
165.12733	4.8
165.16399	2.0
169.12186	1.8
175.14836	4.1
177.16370	4.1
179.18016	2.9
189.16380	4.2
191.17943	3.2
192.72105	1.5
203.17943	2.9
205.19406	2.5
209.18959	6.6
217.15814	2.5
217.19449	1.8
241.08472	2.6
247.24333	1.9
261.25671	2.9
273.18423	2.4
273.25644	7.8
279.26791	1.9
282.05176	2.1
291.19574	4.1
291.26660	13.1
309.07614	2.1
309.10974	3.6
309.14896	3.1
309.20648	10.2
309.24719	2.3
309.27863	16.3
310.28162	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.242
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.70358	0.7
53.03942	2.8
55.01863	3.9
55.05503	32.1
57.03430	28.8
57.07063	6.0
59.05007	0.7
65.03931	2.6
66.25646	0.6
67.05495	82.9
68.05824	1.0
69.03429	1.2
69.07059	45.8
71.04973	3.2
71.08618	2.1
75.04478	0.6
79.05480	24.5
81.03429	1.3
81.07045	92.0
82.07397	0.7
83.04972	2.6
83.08607	21.5
85.05032	0.7
85.06522	5.0
85.10183	0.8
91.05467	20.2
93.07034	22.0
95.04983	3.0
95.08595	73.3
96.08898	1.0
97.06522	6.6
97.10149	11.3
99.08069	4.5
103.03896	0.7
105.07016	14.3
107.08586	13.5
107.09316	0.8
109.06499	3.2
109.10142	29.2
111.04459	0.7
111.08054	3.3
111.11707	2.7
112.37276	0.5
113.09626	1.3
117.07020	1.0
119.08564	11.9
121.10130	13.1
123.08047	2.4
123.11686	14.8
125.09602	4.2
129.05469	3.6
129.06966	0.8
131.08565	1.9
133.10101	12.4
135.11681	13.1
137.09634	3.3
137.13235	6.3
139.11156	1.5
145.10049	1.3
147.11671	10.6
149.13231	4.2
151.11215	1.5
151.14795	3.7
153.12735	0.9
159.11690	0.7
161.13243	7.2
163.14786	1.3
164.98349	0.7
165.12788	0.7
171.11624	0.9
172.12856	0.6
175.14825	3.1
179.14259	0.9
185.13283	1.0
189.16426	0.9
191.17920	1.1
193.19514	1.0
217.19489	14.9
217.21471	1.2
235.20506	8.5
259.20493	1.1
277.18927	0.6
277.21588	3.3
309.24200	100.0
310.24524	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.05386	1.6
53.03943	10.0
55.01853	5.5
55.05265	2.0
55.05506	23.0
57.03145	1.7
57.03426	5.9
57.07057	6.0
64.04891	1.8
67.05135	2.7
67.05499	53.0
68.05811	2.1
69.03427	2.3
69.07063	30.6
69.43179	16.2
71.04966	2.3
71.08618	3.0
79.05071	2.8
79.05484	31.9
81.03413	42.9
81.07048	43.9
83.04964	9.1
83.08606	7.2
87.04931	1.5
91.05472	20.0
93.07037	28.9
94.06564	19.2
95.04951	27.6
95.08594	16.3
97.06548	4.0
97.10139	8.5
99.08080	4.1
105.07020	18.1
106.06536	2.9
107.04954	2.3
107.07363	2.4
107.08585	22.7
108.08109	3.9
109.06490	6.9
109.10141	16.2
111.08094	4.5
117.06989	3.9
118.06537	13.1
119.08590	10.2
121.10149	8.1
123.08047	2.8
123.11737	5.4
125.09618	14.8
129.06937	2.9
130.06526	3.8
131.08548	3.7
133.10109	12.0
135.08017	4.0
135.11670	7.0
144.08118	3.6
144.95029	1.8
147.11659	8.2
148.73451	1.6
149.13220	6.3
151.11166	29.6
153.09108	3.9
157.10060	1.9
158.09702	1.9
161.13257	8.3
163.14810	2.6
165.12749	8.0
171.11674	4.3
175.11136	1.7
175.14839	5.1
177.12724	2.2
179.14270	4.6
182.09663	5.5
185.13257	3.4
189.12849	2.2
192.17473	35.9
195.09154	7.3
196.09837	1.8
196.20274	1.8
197.10725	3.7
203.12782	5.6
207.13776	3.1
209.10722	14.1
210.11517	3.4
211.12379	2.5
221.10669	2.6
221.15468	2.2
222.11424	2.7
223.12279	8.9
231.21140	6.7
238.70712	1.7
241.19572	4.4
249.22034	3.1
259.20496	5.9
268.20648	2.3
277.21600	55.1
293.20102	2.7
307.21680	6.3
309.23245	100.0
310.23596	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2319
Annotation	9-deacetoxyfumigaclavine C
Peak:m/z	Relative Intensity
52.31880	0.4
54.96550	0.5
55.05489	1.5
57.07034	0.5
65.03918	0.5
67.00374	0.5
67.05486	2.6
69.07056	1.2
69.64967	4.1
70.06638	0.4
71.08603	1.5
79.05461	2.1
80.04959	0.7
81.07037	2.1
82.06550	0.9
83.08598	0.7
84.08125	0.6
88.90461	0.6
91.05464	2.4
92.04965	0.5
93.05791	0.6
93.07027	1.3
94.06545	17.5
95.04971	0.6
95.07343	0.6
95.08593	1.6
96.08093	0.5
98.20669	0.5
99.08097	0.7
101.65474	0.4
103.05432	0.6
105.07004	1.4
106.06530	1.6
107.07315	2.1
107.08567	0.7
107.46458	0.4
108.08095	3.0
109.83586	0.5
115.05412	0.5
117.05726	2.1
117.06975	0.8
118.06515	13.0
119.06045	2.7
120.08115	2.5
121.08810	0.9
121.10138	0.8
130.06499	5.5
131.07254	1.4
132.08026	2.2
135.11665	1.3
141.05751	0.7
142.06496	1.8
143.06041	2.0
143.07271	1.3
144.08055	3.2
145.07587	0.9
146.09641	0.8
154.06497	1.5
155.07304	0.8
156.08057	1.3
158.09615	1.7
166.15881	0.6
167.07246	1.9
168.08031	2.9
169.07625	0.7
170.08311	1.0
170.09648	1.3
171.09120	1.2
179.14253	1.9
180.08040	2.1
181.07466	0.8
181.08801	1.4
182.08315	0.7
182.09654	6.1
183.09096	1.4
183.10480	1.0
184.11157	0.8
192.17451	34.1
193.08836	0.8
193.17744	1.1
194.09758	2.2
195.09155	5.5
196.09892	1.9
196.11360	0.9
197.09143	0.4
197.10623	2.7
202.10205	0.5
206.09592	1.1
207.10431	1.1
208.11194	1.8
209.10712	17.9
210.11479	4.5
211.12270	3.6
216.17459	0.5
220.11232	0.6
222.11278	2.5
223.12270	10.2
224.12970	3.1
225.13741	0.8
237.13800	1.6
266.18811	0.7
268.20511	2.7
277.21634	0.9
292.20575	1.1
293.20016	1.7
294.20569	0.5
307.21594	7.6
309.23190	100.0
310.23621	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91576	1.9
53.03927	5.7
55.01859	4.7
55.05507	16.7
57.03423	4.5
57.07055	2.4
65.03900	3.2
67.05504	27.1
69.03400	2.5
69.07056	14.7
69.55537	17.6
71.04980	2.9
79.05485	28.7
81.03407	3.7
81.06597	3.3
81.07040	43.5
83.04957	3.2
83.08589	3.5
91.05465	41.9
93.07035	65.3
95.04957	49.4
95.08593	33.7
97.06506	15.7
97.10163	1.9
98.71220	2.0
103.05428	3.7
105.07013	81.8
107.08588	33.9
109.06495	11.1
109.10146	18.1
115.05451	3.1
116.06236	3.0
117.07000	14.3
119.08572	59.2
120.01397	2.1
121.06480	7.8
121.10130	100.0
123.08035	12.5
123.11659	4.7
128.06207	7.8
129.06999	12.1
130.07782	2.6
131.07643	2.8
131.08556	32.4
133.06490	2.1
133.10112	38.2
135.08028	3.7
135.11693	10.1
141.06970	7.9
142.07771	13.9
143.08542	26.2
144.09311	7.1
145.06451	3.8
145.10120	44.2
147.08060	3.7
147.11697	13.4
149.09584	3.9
153.06978	3.4
154.07790	3.3
155.08551	10.4
156.09331	12.1
157.10104	29.0
158.10776	3.2
158.84636	2.1
159.08008	4.0
159.11671	32.6
161.09605	9.1
161.13234	4.9
167.08527	3.4
168.09242	3.5
169.10117	19.0
170.10901	4.6
171.11656	21.4
172.12399	2.7
173.09677	2.9
173.13242	15.3
174.10454	2.5
175.14824	7.6
179.08591	5.5
181.10092	4.4
182.10970	3.8
182.41428	1.9
183.11661	14.2
184.12460	2.9
185.13248	9.6
187.11157	8.3
187.14781	15.4
189.12723	3.2
192.09306	3.0
193.10106	5.5
194.10794	3.6
195.11676	7.9
197.09653	2.5
197.13263	12.3
199.11098	2.9
199.14812	8.8
201.12701	3.2
201.16341	2.6
207.11615	4.8
209.13194	10.2
211.14774	9.2
213.16330	6.9
221.13228	4.3
223.14764	6.1
225.12413	2.5
225.16229	3.1
235.14842	5.4
237.16302	2.6
239.17874	4.8
241.15665	2.1
247.14900	2.1
249.16245	2.7
253.15833	4.7
253.19424	5.0
265.19434	4.8
277.21484	2.4
281.22604	3.5
291.21149	10.0
309.22073	76.3
310.22571	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2208
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03931	6.9
55.01857	4.4
55.05499	14.5
57.03419	5.8
57.07068	4.2
67.05495	28.6
69.03407	2.6
69.07052	19.6
70.58776	7.4
78.19598	2.5
79.05485	28.7
81.07047	45.9
83.04955	3.9
83.08585	4.7
90.06954	3.1
91.05469	34.5
93.07032	62.2
95.04949	50.0
95.08594	46.4
97.06512	17.5
103.05446	4.5
105.07018	72.9
107.08574	37.4
109.06477	11.9
109.10149	20.8
115.05396	4.7
117.07024	15.9
119.08566	57.1
121.06481	8.3
121.09243	4.9
121.10121	89.4
123.08041	12.5
123.11668	7.9
128.06206	8.1
129.06949	15.8
130.07739	8.1
131.08545	28.6
133.10109	52.7
135.07988	4.4
135.11673	11.0
141.06927	10.8
142.07762	14.1
143.08549	29.1
144.09286	6.4
145.06462	3.0
145.10115	46.7
147.08037	7.7
147.11649	12.2
154.07645	3.7
155.08499	13.0
156.09285	9.9
157.10124	41.1
158.10843	6.0
159.11655	40.5
161.09572	7.3
161.13269	5.4
165.07019	3.8
167.08575	4.3
168.09291	5.5
169.10072	18.2
170.11003	3.1
171.11699	21.6
172.12386	4.3
173.13223	19.3
175.14806	10.3
179.08524	4.7
181.10129	9.8
182.10855	4.1
183.11604	17.4
185.09689	3.9
185.13219	12.4
187.11200	8.0
187.14734	14.2
189.12653	4.5
193.10121	8.1
195.11670	9.1
196.12373	6.4
197.13213	14.2
199.14781	14.2
200.15465	3.0
201.12572	4.4
201.16298	5.3
207.11647	7.2
208.12277	4.1
209.13281	15.2
211.14755	13.9
213.12698	2.8
215.14334	4.7
221.13123	8.2
223.14673	4.1
225.16298	9.3
235.14758	9.7
237.16525	2.9
239.14308	4.0
239.17952	3.9
249.16422	3.6
251.17957	5.4
253.15854	11.7
253.19366	3.1
265.19495	4.6
281.22516	9.2
291.21094	14.1
309.22046	100.0
310.22308	7.2
320.45581	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03938	4.4
54.00845	2.1
55.01873	19.2
55.05271	2.6
55.05509	30.5
55.35205	1.6
57.03421	7.4
57.07072	3.9
59.04997	2.4
62.02987	2.2
65.03918	4.2
67.05497	76.9
69.03411	5.6
69.07061	28.1
70.11306	10.6
71.04987	10.3
79.05485	40.5
80.05770	2.4
81.03378	5.5
81.07047	100.0
81.60206	2.1
82.07331	2.2
83.01311	3.4
83.04974	17.8
83.08611	13.8
85.06543	9.5
91.04914	3.5
91.05470	59.1
93.07031	46.7
95.04958	19.0
95.08596	30.1
97.02876	2.8
97.06516	7.8
97.10150	5.6
97.27270	1.9
98.98483	2.4
99.04430	4.4
105.07017	56.3
107.04938	10.3
107.07910	3.2
107.08585	44.7
109.06512	13.9
109.09398	4.1
109.10146	79.1
110.10458	2.5
111.04398	6.8
111.08075	11.5
113.05995	3.7
115.59925	2.1
117.07004	8.4
119.08574	21.6
121.06480	11.3
121.10126	11.6
123.08054	8.6
123.11647	9.9
125.05936	3.0
125.09626	4.2
127.07540	3.9
128.06201	3.3
129.06972	5.5
131.08551	14.1
131.39337	2.0
133.06526	9.6
133.10118	87.1
134.10464	2.0
135.08000	6.0
135.11664	8.6
137.05936	3.3
137.09634	5.1
139.07562	6.3
143.08522	8.6
145.06511	2.6
145.10120	11.1
147.08031	9.7
147.11688	6.4
149.09625	5.8
151.11171	50.7
153.56770	2.6
155.08574	2.8
157.10107	6.4
159.08066	3.9
159.11659	6.4
161.09587	11.0
161.13231	2.9
163.11133	4.3
165.09096	4.8
169.12216	15.4
169.75511	1.9
171.11655	4.9
173.13283	2.2
175.11119	5.4
177.12744	3.4
179.10616	4.0
179.14272	3.2
181.08589	3.5
181.10078	2.6
183.11702	2.8
185.13167	3.4
187.11098	2.9
189.16394	2.2
193.12193	2.2
195.11656	3.1
199.11194	2.4
199.14984	2.2
201.12804	1.9
203.14258	4.6
215.12805	4.5
231.13628	2.3
244.61708	2.0
245.18979	12.2
255.17464	3.3
263.20032	16.2
273.18472	35.3
285.55090	2.1
291.19510	61.7
292.19788	3.6
309.20670	17.0
309.24246	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
52.16240	1.1
53.03934	2.2
55.01870	5.7
55.05507	26.4
57.03420	1.5
57.07079	1.3
57.75169	1.1
59.05005	1.3
63.72145	1.2
65.03909	1.3
67.05497	16.5
67.87873	1.1
69.03414	3.5
69.07064	14.0
70.96799	2.4
71.04987	2.1
72.43634	1.1
79.05482	19.1
81.03394	3.0
81.07048	22.8
83.04968	3.3
83.08612	13.7
91.05467	9.4
93.07034	10.3
93.89452	1.1
95.01289	1.5
95.04974	4.5
95.08581	7.6
97.06538	2.8
97.10162	22.0
105.07024	6.5
107.04965	2.1
107.08569	9.7
109.10146	3.6
111.04438	2.9
111.08056	2.1
117.07009	2.9
119.04993	2.0
119.08580	7.9
121.06497	2.1
121.10132	4.0
123.04360	1.2
123.08067	7.6
123.11720	1.7
125.09615	16.8
129.06995	1.3
131.08551	4.4
133.06471	3.1
133.10091	2.0
135.07993	1.3
135.11670	2.8
137.09592	2.5
141.06769	1.1
143.08644	1.8
144.48335	1.2
145.10133	3.3
147.08022	3.7
147.11682	3.9
153.09062	1.4
157.10144	1.9
159.11768	1.6
161.13310	1.7
163.11195	3.2
165.09149	4.2
175.11211	2.3
181.12248	1.7
189.11266	9.7
189.12727	2.2
195.11542	1.5
223.01897	1.4
223.13264	2.4
225.11969	1.2
249.14735	2.9
255.17407	1.6
273.18460	11.6
291.19510	100.0
292.19913	4.4
309.20615	4.7
309.24167	1.8
316.82690	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.69713	2.4
53.03950	6.0
55.01868	5.7
55.05505	49.9
55.17836	2.5
56.96558	3.1
57.03431	12.6
57.07072	6.0
67.05500	51.7
69.03422	3.7
69.07059	31.6
70.04053	14.7
70.86655	8.1
71.04996	3.4
79.05074	3.3
79.05486	32.8
81.03399	9.1
81.07047	61.5
83.04978	10.6
83.08609	34.9
83.10316	2.3
84.92784	2.2
87.84184	2.5
91.05467	22.3
93.07029	26.3
95.04957	14.4
95.08595	39.5
97.06524	7.8
97.10162	35.8
99.04391	3.5
104.08649	2.5
105.07023	18.2
107.04962	6.1
107.08584	24.1
108.39902	2.5
109.06505	7.2
109.10144	20.8
111.04392	3.4
111.08060	3.9
112.42159	2.5
112.48145	2.3
117.07017	5.7
119.08552	19.5
121.06460	4.1
121.10139	10.4
123.08073	17.9
123.11749	5.0
125.09615	27.6
131.08533	10.1
133.10095	13.5
135.08069	7.0
135.11687	5.3
137.09602	4.7
142.75989	2.8
143.08514	4.9
145.10164	7.9
147.08070	7.3
147.11644	4.4
149.09572	4.4
149.13425	2.5
153.09036	3.6
157.10118	5.1
159.11662	4.9
161.09576	3.7
163.11168	7.0
165.09155	5.4
169.08670	2.7
179.64043	2.4
189.11169	16.5
210.11717	2.7
217.19443	4.0
223.13107	2.9
247.69693	2.8
273.18408	17.4
291.19510	100.0
292.19830	5.5
309.14908	4.4
309.20752	10.6
309.24225	38.6
332.69263	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03933	4.2
55.01865	14.0
55.05506	66.4
57.03412	6.1
59.04993	2.5
61.24267	1.4
67.05496	53.1
67.48696	1.3
69.03130	1.3
69.03422	12.3
69.07068	22.8
69.07432	2.8
70.09697	6.0
70.10116	1.8
71.04964	2.7
79.05486	46.4
81.03408	13.8
81.07046	74.0
81.07530	3.6
83.04975	15.4
83.08607	38.6
85.02898	3.9
85.06506	2.6
91.05478	19.4
93.07034	42.2
95.04391	2.5
95.04961	38.1
95.08595	51.2
97.06512	9.6
97.10156	59.0
99.08060	3.6
105.07029	26.1
107.04954	6.6
107.08582	29.3
109.02876	2.0
109.06480	6.0
109.10139	17.3
111.04439	8.1
111.08048	9.9
117.06993	8.1
119.08560	20.6
121.06481	5.9
121.10125	12.5
123.08054	100.0
123.11668	12.9
124.08404	2.2
125.09612	47.2
129.06990	4.9
130.01529	1.4
131.08574	11.2
133.06464	2.8
133.10136	11.7
135.08002	6.2
135.11670	5.5
137.09605	9.5
139.11215	2.3
141.37907	1.6
143.08548	4.0
145.06447	1.8
145.10112	11.9
147.08025	9.8
147.11653	6.3
149.09560	4.6
153.09116	4.1
153.12718	4.3
155.08516	2.5
157.10120	4.5
159.08026	2.0
159.11647	4.9
161.09564	3.2
163.11153	19.8
165.09142	10.9
169.12271	8.6
171.10168	3.0
171.11646	3.4
172.03735	1.5
175.11183	5.5
177.12724	2.0
181.12221	5.7
185.13362	1.4
187.11562	1.8
187.13251	9.9
189.11195	36.6
189.12814	3.3
190.11604	1.8
191.10582	2.5
193.12244	10.1
199.11119	2.0
201.59428	1.5
211.13196	6.7
213.16422	1.7
223.13245	6.1
224.08264	1.3
227.12706	2.5
227.17873	3.1
231.17717	2.8
233.15419	1.5
245.18927	3.9
249.18549	1.8
255.17378	5.7
263.20001	2.3
273.15610	2.9
273.18448	36.6
274.18637	1.7
291.16309	3.2
291.19498	52.8
292.19919	3.3
309.15051	3.2
309.20599	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03933	10.3
54.65697	6.3
55.01854	19.3
55.05503	34.2
57.03428	80.2
63.63216	6.1
65.03926	8.6
67.05504	74.1
67.11304	6.7
69.03413	8.6
69.07056	28.4
70.99236	13.9
70.99609	14.5
71.04968	11.0
72.57803	6.3
78.48375	6.6
79.05483	57.4
81.07044	100.0
83.04968	28.0
83.08625	15.2
85.02905	6.8
85.06533	33.2
91.05491	44.5
93.07040	61.7
95.04965	50.2
95.08580	30.3
97.10123	13.0
99.08084	83.0
105.07027	40.3
107.04917	11.8
107.08563	22.1
109.06494	52.5
109.10136	17.7
111.04433	29.4
111.08071	16.5
113.05995	93.2
114.40294	6.7
117.06992	25.1
119.08569	33.6
121.06481	11.1
121.10143	18.7
123.11708	8.2
125.09653	11.2
129.07001	10.3
131.08540	21.0
133.04176	6.9
133.10124	16.1
135.08022	39.1
135.11673	13.2
137.09630	6.5
145.10118	20.5
147.08035	13.7
149.09572	11.1
157.10098	8.3
159.11604	8.2
163.11147	17.5
165.09125	13.3
171.11615	8.4
173.20493	6.6
181.12242	12.7
182.77658	6.9
191.10599	14.4
199.14812	6.5
211.09642	9.7
217.15819	9.6
227.85823	8.6
250.99255	6.6
268.13065	8.4
273.18433	42.0
291.19519	82.0
292.19586	9.0
309.17044	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1693
Annotation	Altamisin
Peak:m/z	Relative Intensity
51.04561	1.1
53.03922	4.0
55.01854	7.2
55.05506	12.3
55.34017	1.2
57.03201	1.3
57.03431	16.4
65.03925	2.6
67.05499	40.7
69.03404	3.7
69.07060	6.4
71.01309	4.2
71.04955	4.1
71.74755	1.9
79.05481	24.8
81.03402	29.1
81.06600	1.6
81.07043	22.5
83.04961	6.2
83.08607	8.3
84.08144	1.3
85.02856	3.7
85.06532	2.9
91.05470	20.4
93.06508	1.4
93.07035	21.1
95.04955	100.0
95.08606	7.4
96.05320	1.3
97.02872	2.1
97.06518	4.1
97.10137	4.1
99.04421	1.3
100.11236	1.3
103.03917	6.1
103.05432	1.8
105.03407	1.3
105.07007	15.4
107.04954	14.1
107.08584	16.6
109.02865	15.9
109.06509	10.2
109.10144	12.5
111.04410	3.4
111.08033	3.4
115.05450	1.7
117.07001	9.2
119.04900	1.3
119.08571	14.9
121.02817	3.5
121.06497	9.5
121.10111	7.4
121.11508	1.2
123.04415	54.0
123.08005	2.9
123.11691	1.4
124.04737	2.2
125.02367	1.4
125.05942	2.0
125.09595	5.0
127.03873	2.5
128.06215	2.0
129.06979	8.3
131.04898	2.8
131.08549	11.1
133.06454	3.7
133.10110	6.4
133.10977	1.2
135.04468	1.4
135.08037	8.1
135.11662	9.3
137.05919	4.8
137.09598	11.2
139.03886	2.5
143.08511	5.1
145.06477	3.0
145.10091	15.9
147.04393	3.6
147.07993	9.0
147.11650	5.4
149.05945	1.6
149.09599	5.3
153.07039	1.6
153.09090	6.8
155.08551	2.8
157.10103	1.6
159.08038	1.2
159.11580	1.5
161.13222	3.0
163.11159	23.7
165.09077	8.1
165.12700	1.3
171.10326	1.7
171.11626	7.8
173.09621	6.4
175.11154	1.6
189.12689	11.1
191.10631	4.5
193.12228	3.6
199.11165	3.2
207.13785	20.5
215.03375	3.0
217.12215	10.0
219.13956	1.4
235.07535	1.9
235.13263	55.5
263.06946	1.8
263.16367	2.7
273.14725	1.4
277.08304	1.5
281.11639	1.5
291.06558	2.5
291.19525	1.4
309.13480	5.4
309.16901	62.4
310.17133	2.2
326.61386	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.8
55.01866	9.0
55.05505	37.0
57.03432	19.8
57.07067	2.9
65.03915	3.0
65.53517	1.6
67.05499	38.4
69.03411	4.3
69.07059	9.3
70.06580	3.9
71.01339	6.5
71.04971	3.9
71.74413	1.9
79.05486	33.4
79.71674	1.4
81.03413	37.2
81.07054	28.7
83.04982	12.1
83.08612	16.6
84.08110	2.9
85.02876	2.8
85.06548	3.5
91.05478	22.8
93.07042	22.8
95.04960	100.0
95.08587	9.5
97.02892	2.9
97.06518	6.9
97.10142	6.1
98.09690	7.5
98.98456	1.6
100.07609	7.0
100.11242	17.5
101.11588	1.9
103.03925	1.7
103.05458	3.4
105.07020	17.2
107.04942	16.7
107.08579	16.6
109.02879	14.7
109.06501	11.2
109.10140	9.4
111.04419	6.1
111.08069	4.1
112.07602	5.8
117.06998	12.7
119.04914	2.5
119.08574	13.7
121.02832	1.7
121.06509	8.6
121.10133	7.3
123.04416	69.3
123.08065	4.8
123.17045	1.4
125.09621	6.0
126.09158	15.5
127.03899	2.7
128.07057	2.5
129.07004	9.8
130.07724	1.4
131.04996	1.6
131.08542	8.3
133.06473	4.6
133.10143	7.8
135.08066	8.1
135.11700	8.7
137.06021	6.9
137.09615	3.6
139.03831	2.1
143.08539	6.1
145.06482	4.5
145.10118	20.6
147.04474	2.0
147.08043	8.5
147.11702	7.2
149.09610	3.8
153.05501	3.6
153.09073	5.5
155.08566	2.3
157.10143	1.9
161.13289	1.8
163.11172	26.9
165.09007	1.9
165.12735	1.8
171.11661	11.3
173.09599	10.3
175.11125	2.0
180.13823	2.8
182.15404	65.4
189.09145	2.0
189.11160	2.0
189.12723	13.9
190.84476	1.6
191.10672	6.0
192.82312	1.4
199.11147	3.8
207.13773	19.0
210.14880	16.0
217.12173	11.7
235.13272	66.6
236.13828	1.8
253.14281	2.1
309.07721	1.9
309.11041	2.3
309.13782	2.9
309.16946	50.3
309.21686	22.5
309.25137	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.154
Annotation	NSC-224070
Peak:m/z	Relative Intensity
53.03935	3.9
55.01847	3.8
55.05507	13.5
57.03425	9.3
59.04992	1.9
61.02922	8.2
67.05487	9.9
69.03416	21.7
69.07059	5.2
70.06571	2.8
71.01366	1.3
71.04983	4.3
71.74306	2.0
72.08144	1.8
73.02911	3.9
79.05483	6.3
81.03416	14.3
81.07038	7.9
83.04969	3.7
83.08609	26.4
84.04486	2.1
84.08148	2.2
85.02897	100.0
86.09705	3.6
86.43887	1.3
87.04475	1.8
89.69328	1.2
91.03925	6.8
91.05483	5.6
93.07047	5.7
95.04964	17.6
95.08607	3.8
97.02881	23.5
97.03457	2.0
97.06526	1.5
98.98476	3.0
99.04461	4.0
101.09639	11.9
103.03934	1.9
103.05460	2.2
105.03406	2.1
105.07027	5.6
107.04955	3.2
107.08585	3.7
109.02866	12.5
109.06540	2.4
109.10146	4.7
111.04437	1.6
111.08072	2.0
117.06969	2.3
117.96152	1.3
119.04952	1.8
119.08584	2.7
121.06517	2.0
123.04421	9.2
125.09640	1.7
127.03898	23.0
128.06213	2.1
129.10240	2.0
135.08101	1.7
135.11760	1.6
137.05972	4.1
137.09592	2.7
145.04951	20.2
145.10129	2.9
147.04404	5.9
147.11678	2.3
153.09030	1.3
161.05981	4.2
163.03877	1.6
163.06038	2.4
163.11192	4.3
164.98445	2.3
165.09113	1.8
173.09570	1.5
185.06044	1.7
189.12782	3.2
191.08289	3.5
202.07829	1.9
203.08533	3.8
207.13806	2.6
217.12233	2.8
231.08209	1.7
235.13269	8.4
249.09251	2.8
263.06540	1.4
277.08560	6.6
309.07449	3.9
309.11185	8.2
309.16745	9.9
332.41739	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1329
Annotation	Monocerin
Peak:m/z	Relative Intensity
53.03944	7.7
55.01856	3.0
55.05505	10.9
57.03427	3.7
59.04991	2.3
65.03921	2.3
66.12328	1.0
67.01845	1.9
67.05501	48.4
69.03429	5.7
69.07057	5.4
70.86180	2.2
70.86582	2.3
71.04979	4.4
79.05484	11.2
81.03414	48.2
81.07050	48.0
82.04186	1.6
83.04966	7.0
91.05465	6.8
93.07031	5.5
95.04955	7.4
95.08596	10.1
97.02894	3.3
97.06503	2.0
99.04430	3.6
99.08075	3.4
105.07005	5.3
107.04923	3.4
107.08585	15.8
109.02869	70.2
109.06502	6.0
109.10147	71.8
110.03682	11.7
110.10503	2.1
111.04439	13.2
115.05495	1.3
117.06998	2.9
119.08539	7.8
121.06458	1.1
121.10142	2.7
123.04423	1.9
123.11719	1.7
124.05199	3.0
125.02353	10.8
125.06042	1.4
126.03088	3.0
127.03912	17.9
127.07596	1.1
131.08513	2.0
133.10144	1.1
135.08047	24.0
136.05247	1.3
137.05942	4.7
137.09604	76.2
138.09950	1.5
143.08543	1.4
147.08006	1.9
149.09584	2.3
153.09010	1.2
155.10646	5.0
163.07552	7.3
165.05452	2.0
165.09105	54.6
166.09384	1.6
175.07605	1.4
179.66759	1.2
181.08539	1.6
201.11165	1.8
215.10577	1.1
217.12270	2.7
245.11713	3.2
249.09190	1.4
263.12848	3.8
273.11301	1.0
277.08432	1.9
291.12268	5.0
309.13303	100.0
310.13702	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30280	1.1
53.03931	6.3
55.01863	1.5
55.05503	8.6
57.03417	5.1
65.03925	3.6
67.01812	1.5
67.05495	52.2
69.03425	6.9
69.07050	4.6
71.04980	3.9
71.19147	2.6
79.05479	10.2
81.02928	2.7
81.03409	51.0
81.07043	48.9
81.07532	2.2
82.04204	2.4
83.04974	7.2
85.06518	1.3
91.05464	5.9
93.07023	6.3
95.04957	9.0
95.08571	8.5
97.02869	5.4
99.04413	2.6
99.08070	2.9
99.99755	1.5
105.07022	4.3
107.04953	3.6
107.08584	13.0
109.02863	73.7
109.06519	4.9
109.10141	73.7
110.03674	10.5
110.10468	1.3
111.04428	10.4
115.05425	1.4
117.06998	2.8
119.08579	5.1
121.06478	1.9
121.10093	2.0
123.04426	2.3
123.08062	1.6
124.05191	2.3
125.02340	8.1
125.06013	2.0
126.03112	3.1
127.03899	22.5
129.06989	1.3
131.08551	1.9
135.08035	21.9
136.05176	1.2
137.05966	5.5
137.09593	82.7
138.09964	1.9
140.48570	1.3
143.08525	1.3
147.08022	1.2
149.09586	2.4
155.10617	5.9
163.07530	7.3
163.11089	1.4
165.09094	56.2
177.45952	1.1
181.08629	2.4
183.10181	2.3
189.09215	1.6
189.12820	1.7
203.10728	1.6
217.12247	3.0
218.00287	1.2
245.11736	3.0
263.12827	3.7
277.08655	1.4
291.12335	4.7
309.13312	100.0
310.13544	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1327
Annotation	Monocerin
Peak:m/z	Relative Intensity
51.30280	1.1
53.03931	6.3
55.01863	1.5
55.05503	8.6
57.03417	5.1
65.03925	3.6
67.01812	1.5
67.05495	52.2
69.03425	6.9
69.07050	4.6
71.04980	3.9
71.19147	2.6
79.05479	10.2
81.02928	2.7
81.03409	51.0
81.07043	48.9
81.07532	2.2
82.04204	2.4
83.04974	7.2
85.06518	1.3
91.05464	5.9
93.07023	6.3
95.04957	9.0
95.08571	8.5
97.02869	5.4
99.04413	2.6
99.08070	2.9
99.99755	1.5
105.07022	4.3
107.04953	3.6
107.08584	13.0
109.02863	73.7
109.06519	4.9
109.10141	73.7
110.03674	10.5
110.10468	1.3
111.04428	10.4
115.05425	1.4
117.06998	2.8
119.08579	5.1
121.06478	1.9
121.10093	2.0
123.04426	2.3
123.08062	1.6
124.05191	2.3
125.02340	8.1
125.06013	2.0
126.03112	3.1
127.03899	22.5
129.06989	1.3
131.08551	1.9
135.08035	21.9
136.05176	1.2
137.05966	5.5
137.09593	82.7
138.09964	1.9
140.48570	1.3
143.08525	1.3
147.08022	1.2
149.09586	2.4
155.10617	5.9
163.07530	7.3
163.11089	1.4
165.09094	56.2
177.45952	1.1
181.08629	2.4
183.10181	2.3
189.09215	1.6
189.12820	1.7
203.10728	1.6
217.12247	3.0
218.00287	1.2
245.11736	3.0
263.12827	3.7
277.08655	1.4
291.12335	4.7
309.13312	100.0
310.13544	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1329
Annotation	Monocerin
Peak:m/z	Relative Intensity
51.36358	1.1
53.03945	6.9
55.01859	3.6
55.05507	12.4
57.03426	4.5
65.03922	3.3
67.01848	1.7
67.05127	2.4
67.05498	54.9
69.03430	8.7
69.07060	9.4
70.35773	5.4
71.04980	3.3
79.05483	15.4
81.03408	54.8
81.07047	59.3
82.04189	2.9
83.04977	9.3
83.08607	2.9
91.05466	11.2
93.07024	8.4
95.04967	9.5
95.08600	16.0
97.02876	5.3
97.06538	5.6
99.04447	4.0
99.08076	3.3
101.06030	2.1
105.07023	6.1
106.77048	1.2
107.04929	4.0
107.08591	15.6
109.02866	75.7
109.06519	7.0
109.10147	81.7
110.03675	13.1
110.10500	1.3
111.04443	11.3
111.08037	1.7
113.05946	2.1
115.05402	2.6
117.06994	5.7
119.04891	1.2
119.08563	9.3
121.06478	2.3
121.10147	2.8
121.29449	1.1
123.04420	2.4
123.07997	1.1
123.11652	2.5
125.02334	11.2
125.06038	1.5
126.03126	3.1
127.03896	23.9
128.06252	1.4
129.07042	1.5
131.08560	3.4
133.06476	1.7
133.10077	3.0
135.08057	25.9
135.11690	2.0
137.05983	5.5
137.09598	84.8
138.09950	1.8
142.07626	1.5
143.08591	3.4
145.10117	2.7
145.91589	1.3
147.08032	3.7
147.11623	1.6
148.08827	7.4
149.09598	2.8
151.07507	1.3
155.10661	3.5
157.10083	1.2
161.09613	1.5
163.07491	8.4
165.09102	55.8
166.09390	2.1
171.07976	1.1
171.11650	1.5
173.02350	2.0
173.09569	1.3
175.07474	1.8
175.11238	1.7
181.08591	3.0
183.10185	1.6
185.13248	3.4
187.11369	1.5
189.09135	1.6
189.12726	1.7
199.11118	1.5
213.12682	2.2
217.12239	2.6
231.13751	6.3
235.13235	1.6
245.11806	3.1
263.12781	4.0
291.12253	4.0
309.13321	100.0
309.27420	1.3
310.13736	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.4
53.32980	1.4
55.01859	6.0
55.05507	22.8
57.03420	7.3
57.07057	5.0
59.04977	2.3
59.12234	1.6
61.21214	1.5
64.84057	1.4
65.03929	3.8
66.71432	1.8
67.01864	1.8
67.05499	66.9
69.03421	11.6
69.07061	33.1
69.67369	2.2
69.67773	10.2
71.01321	1.8
71.04998	7.3
79.05486	27.7
81.03410	53.6
81.07047	97.1
82.04208	1.7
82.07364	3.4
83.04980	10.6
83.08597	7.2
84.97054	1.6
85.02884	2.2
85.06519	4.6
91.05476	17.5
93.07040	21.0
95.04956	17.4
95.08598	36.0
97.02864	6.6
97.06520	12.8
97.10168	4.8
99.04459	2.6
99.08093	7.3
101.06009	2.8
105.07014	13.2
107.04932	3.4
107.08585	22.4
109.02869	72.9
109.06512	20.6
109.10149	94.5
110.03667	13.0
110.10469	2.1
111.04440	14.6
111.08076	7.5
111.11703	5.2
113.05969	2.9
115.05472	2.4
117.07022	7.3
119.04916	2.3
119.08566	13.5
121.06488	3.0
121.10159	9.9
123.04394	3.0
123.08051	5.6
123.11721	8.8
124.05238	2.4
125.02313	10.7
125.05962	4.0
125.09641	4.0
126.03117	5.3
127.03893	25.9
127.07506	1.7
128.06241	2.4
129.07005	3.3
131.08543	3.5
133.06441	2.0
133.10054	7.6
135.08043	29.0
135.11659	6.5
137.05981	5.7
137.09599	82.6
137.13208	4.5
139.11186	5.4
141.33867	1.7
143.08543	3.8
145.10117	2.7
147.04384	2.5
147.08032	5.7
147.11729	1.8
148.08791	1.6
149.09619	4.8
149.13254	3.5
153.09061	2.0
153.12708	2.3
155.10667	5.0
157.10144	4.0
159.08078	2.3
161.05902	2.1
161.09647	3.3
161.13315	2.2
163.07547	7.3
163.11139	4.2
165.05464	1.7
165.09103	62.3
165.12761	2.6
171.11667	2.0
175.07581	2.6
176.96930	2.0
181.08568	3.0
183.10205	3.2
185.13179	2.0
189.09157	1.9
189.11026	2.0
191.03256	1.7
199.11076	1.8
201.11237	2.1
203.14323	3.0
212.09171	2.2
213.12848	2.7
217.12172	3.6
231.13797	12.5
245.11607	2.7
249.14691	1.8
255.17450	1.8
262.61050	1.5
263.12842	1.9
265.08438	1.6
267.10089	1.8
273.11230	1.9
273.18527	3.4
277.08655	2.5
291.12292	3.6
291.19534	7.4
309.13345	100.0
309.20596	5.8
309.27649	6.7
310.13654	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2624
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03928	2.2
55.01836	2.0
55.05501	26.2
57.03426	3.3
57.07073	9.3
58.95284	1.0
59.04991	2.2
65.03936	1.2
67.05495	35.8
69.03416	2.9
69.07058	43.4
70.06580	8.8
70.92391	1.8
70.92726	2.0
71.04990	8.7
71.06920	1.2
71.08610	2.7
72.08131	1.4
76.02205	1.6
79.05486	16.8
81.07043	100.0
82.07391	1.3
83.04984	7.2
83.08604	18.0
85.06525	4.9
85.10180	2.1
86.09673	1.6
88.07623	2.5
91.05463	10.7
91.18607	1.2
93.07027	36.8
95.04948	8.3
95.08591	69.1
97.06503	9.8
97.10147	6.4
99.08067	4.6
102.09148	1.4
105.07011	17.4
105.78251	1.2
107.04942	1.9
107.07906	2.3
107.08581	29.6
109.06514	6.9
109.10138	56.9
111.04482	1.2
111.08058	10.4
111.11684	6.3
117.06989	2.3
119.08575	10.9
121.06461	1.7
121.10136	22.6
123.08047	4.2
123.11687	33.7
125.09605	4.9
127.11205	1.7
127.38201	1.1
131.08528	7.0
132.10201	2.1
133.10075	8.1
134.42920	1.2
135.08043	2.8
135.11679	16.9
137.09642	3.6
137.13242	11.4
139.11162	5.8
143.08557	2.1
145.10085	6.8
147.11656	7.9
149.09544	1.9
149.13245	13.5
151.07568	1.5
151.11143	4.4
151.14803	1.4
153.12732	3.3
155.08507	1.7
157.10104	1.3
157.17737	1.5
159.11728	6.8
161.13257	7.0
163.11168	3.8
163.14783	6.8
165.12746	3.1
167.14275	1.9
169.12186	2.0
173.13217	2.8
175.14845	2.2
177.16336	4.7
179.14194	1.6
183.11647	1.9
187.14824	2.8
189.16418	2.7
191.17986	1.8
200.20088	2.2
201.20424	8.6
213.51994	1.2
215.17938	3.5
229.12128	2.9
244.22864	2.3
245.22954	14.1
247.13237	2.5
271.24185	6.2
289.17914	2.8
289.25266	11.1
307.26501	71.3
308.26559	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2626
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
51.21045	1.1
53.03928	3.2
54.83086	1.2
55.01845	3.4
55.05502	26.1
57.03418	3.1
57.07062	14.9
59.04979	3.0
65.03923	1.8
67.05493	30.3
69.03423	5.6
69.07056	72.3
71.04981	10.5
71.08633	6.1
71.36875	1.7
71.37208	1.5
73.06585	1.0
79.05480	18.5
81.03394	1.6
81.07043	100.0
83.04980	7.0
83.08613	29.2
85.06515	4.2
87.04443	2.0
91.05463	12.3
93.06416	1.6
93.07030	60.5
95.04966	16.5
95.08591	83.3
97.06511	12.7
97.10149	9.9
98.98431	1.0
99.04400	1.0
99.08066	3.2
101.33189	1.1
105.07015	20.4
107.08577	42.4
109.06489	8.9
109.10145	39.9
111.08067	17.4
111.11700	7.2
113.06012	1.2
113.09618	1.7
115.07541	1.1
117.06961	3.2
119.08563	12.7
120.02221	1.2
121.06488	2.3
121.10130	33.8
123.08060	6.2
123.11692	36.3
125.05911	2.6
125.09628	5.3
125.13198	1.7
129.07053	1.3
131.08536	4.9
133.10109	12.8
135.08009	2.1
135.11665	21.7
137.09642	2.8
137.13235	19.6
139.11147	8.3
143.08501	1.6
145.10132	7.6
147.11665	9.2
149.09639	2.6
149.13240	17.7
151.11151	12.9
151.14795	2.7
153.12686	3.5
155.10680	2.0
157.10037	1.3
159.11688	9.3
161.13255	6.2
163.11130	5.5
163.14787	5.4
165.12706	3.8
165.16254	1.1
167.14282	2.5
169.12265	1.2
173.13213	4.3
175.11038	1.3
175.14816	4.5
177.12714	2.0
177.16380	3.4
179.14252	1.4
181.12222	2.8
183.11699	1.4
187.14798	1.8
189.16351	3.0
191.17940	3.5
201.16409	3.6
206.38939	1.1
209.18967	3.4
215.17969	3.4
217.19431	1.4
219.21063	1.0
229.12172	2.5
229.19533	1.5
236.16095	1.1
245.22711	2.5
267.08984	1.2
271.24155	8.1
274.51917	1.3
275.09140	1.1
285.10049	1.7
289.25159	13.4
307.18939	1.7
307.26266	40.2
308.26581	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2626
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03934	2.5
55.01860	3.6
55.05505	10.6
55.37983	0.9
57.03421	1.2
57.07069	6.2
57.17455	0.8
59.04982	3.0
65.03934	1.5
67.05497	22.1
69.03415	3.9
69.07059	46.2
71.04985	5.6
71.08617	2.6
73.02907	2.0
79.05486	12.2
80.32148	0.9
81.03442	1.1
81.07044	100.0
83.04963	3.3
83.08606	12.3
85.06533	3.8
91.05449	8.4
93.07034	41.5
95.04943	5.9
95.08594	37.0
95.09085	0.6
97.06506	10.8
97.10152	3.3
98.21461	2.2
99.04448	0.9
99.08082	1.0
101.06006	2.6
105.07012	12.3
107.04873	1.0
107.08581	37.3
109.06505	8.5
109.09395	1.7
109.10141	36.9
111.08069	39.1
111.11707	6.9
117.07033	2.1
119.08553	7.1
121.06518	1.2
121.10123	14.1
123.08074	2.4
123.11686	25.0
125.09637	2.4
125.13249	1.5
131.08551	1.9
133.10120	15.3
135.07993	1.1
135.11679	14.2
135.24875	1.1
137.09621	1.4
137.13225	8.0
139.11154	10.7
143.08534	1.0
145.10114	2.8
147.11632	6.1
149.13219	5.2
151.09898	1.4
151.11151	30.0
153.12720	14.9
159.11684	3.5
161.13255	3.1
161.28845	1.0
163.11177	1.7
163.14816	3.5
165.12744	7.1
167.14322	1.2
169.12227	7.2
173.13257	1.1
175.14827	2.0
177.12737	1.1
177.16405	2.1
181.12267	2.4
191.17944	1.8
201.12679	1.4
207.17476	1.3
210.77968	0.9
215.17987	1.1
229.12346	1.0
245.22707	1.6
247.13210	1.5
271.24216	3.0
274.23624	1.0
277.25137	1.0
282.42935	1.1
289.25192	9.2
292.07886	1.0
307.26309	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2628
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03937	2.4
55.01860	2.9
55.05259	1.6
55.05504	15.7
57.03426	2.9
57.07062	4.7
59.04975	1.7
67.05499	30.1
69.03397	1.3
69.07063	31.5
71.05033	7.0
76.02225	1.4
79.05487	12.1
81.07047	100.0
83.04945	2.2
83.08601	9.5
85.06543	8.3
85.12688	1.2
91.05476	6.3
93.07039	30.0
95.04967	3.5
95.08601	64.7
97.06518	6.7
97.10154	5.4
99.08076	1.9
105.07028	13.2
107.07909	2.4
107.08587	29.8
109.06493	4.2
109.10144	29.4
111.08077	21.0
111.11700	2.0
119.08585	6.7
121.10130	19.1
123.08067	2.7
123.11698	54.0
124.11955	1.2
125.09649	3.2
127.07557	1.3
127.11193	3.6
131.08549	2.3
133.10127	8.0
135.07994	1.7
135.11673	9.8
136.07584	4.1
137.13243	7.9
138.09099	3.6
139.11168	4.2
141.12752	2.8
142.07491	1.2
143.08559	1.8
145.10107	3.5
147.11633	6.7
149.09669	1.7
149.13249	12.7
151.11142	10.8
151.14769	1.1
153.12714	3.8
153.67207	1.2
159.11638	4.4
161.13246	3.5
163.14815	3.9
164.07053	6.3
165.12706	4.3
169.12212	4.1
175.14822	2.8
177.16273	1.6
179.14388	1.1
181.12254	1.2
187.13266	2.2
189.09166	1.5
201.12772	1.9
201.16463	1.7
229.12167	2.6
247.13329	1.8
251.29326	1.2
271.24185	2.9
279.68872	1.2
289.25186	7.8
302.93237	1.2
307.09616	1.9
307.26337	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
53.03933	6.2
55.05500	28.2
57.03430	27.8
67.05496	100.0
69.07047	16.6
69.47463	34.2
79.05486	59.3
81.07041	78.2
83.08613	8.4
91.05458	33.6
93.07034	62.3
95.04952	9.6
95.08587	52.0
97.06524	3.6
98.21397	7.3
100.73220	3.1
105.07008	16.7
107.08595	22.0
109.10139	27.0
111.08076	3.6
113.94257	3.3
117.07012	7.1
119.08566	13.0
121.10129	24.2
123.11705	9.7
131.08585	11.2
133.10123	9.3
135.11670	17.3
135.22189	3.2
138.96677	4.0
145.10074	7.1
147.11679	5.9
149.13217	7.5
159.11662	9.7
163.11212	5.1
173.13135	4.4
186.89423	3.3
201.12674	4.1
215.17949	5.1
233.19070	4.0
247.13269	4.0
282.04593	3.4
289.18027	3.3
307.22635	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
55.01855	5.3
55.05511	21.1
56.96552	2.3
57.03436	4.9
59.05007	3.6
64.13967	1.8
65.03942	2.0
67.05496	30.9
69.03413	4.6
69.07058	17.0
70.04060	2.2
71.04987	13.9
71.74206	1.9
71.74606	2.5
73.06534	1.9
79.05484	32.4
80.05795	1.8
81.03391	2.7
81.07044	39.1
83.04950	5.8
83.08624	10.4
85.06554	5.7
91.05466	40.3
93.07037	35.0
95.04952	10.6
95.08599	26.8
97.06532	24.0
97.10172	6.4
98.98460	3.3
105.07011	45.6
107.04951	8.0
107.08595	22.4
109.06500	17.9
109.10135	17.0
111.04428	3.0
111.08080	5.4
111.11704	2.3
115.05387	2.3
117.07006	14.8
119.08569	36.9
120.08850	2.0
121.02861	20.1
121.06500	15.1
121.10132	14.7
123.08072	17.1
123.11700	4.7
125.05968	3.4
125.09626	6.0
128.06171	3.4
129.07007	5.6
131.08566	16.5
133.06557	2.4
133.10107	24.5
135.08034	12.7
135.11674	6.5
137.09607	10.6
139.11147	3.1
142.07779	2.6
143.08577	8.2
145.06520	3.3
145.10074	13.9
147.04305	2.1
147.08017	2.5
147.10545	2.8
147.11662	18.9
149.09576	9.9
149.13243	3.2
151.07518	3.1
151.11165	17.4
155.08568	3.9
157.10126	8.3
159.08098	6.1
159.11678	13.1
161.09605	4.4
161.13264	5.8
163.07526	9.2
163.11130	12.4
165.12741	9.1
168.09419	3.0
169.10101	4.1
171.11697	5.3
173.09624	2.9
173.13255	6.5
175.11238	2.5
177.12689	5.1
179.14328	3.0
183.11617	9.1
185.13333	1.9
187.11154	2.3
191.14429	2.6
197.13280	6.3
201.12753	6.9
211.09630	3.0
213.05484	7.6
219.13795	4.4
229.12234	6.4
229.19478	7.3
233.15416	4.2
239.17999	8.2
247.13287	5.9
247.20624	5.2
249.18542	2.4
257.19006	7.8
261.18503	2.5
271.16876	2.5
275.20041	48.7
276.20508	2.8
289.18015	12.5
307.09656	11.1
307.19229	11.5
307.22693	100.0
308.09250	2.2
308.23297	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2263
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03926	7.6
55.01866	12.6
55.05267	2.6
55.05502	32.0
56.75900	2.2
57.03424	15.5
57.07061	4.6
60.53178	1.9
62.08553	2.1
62.66957	1.9
65.03930	3.8
67.05498	82.6
67.10020	1.8
68.05825	3.0
69.03413	4.6
69.07062	29.5
69.41351	2.0
70.28898	2.2
70.29163	9.8
71.04964	5.0
79.05484	56.9
81.03394	6.3
81.07047	100.0
82.07377	4.2
83.04964	6.9
83.08598	16.3
83.52267	1.8
83.79475	1.8
85.06522	5.0
91.04907	3.6
91.05462	47.1
93.07034	56.5
95.04955	37.1
95.08601	60.9
96.08924	2.7
97.06524	17.8
97.10139	6.1
98.06020	8.0
99.08027	3.1
105.06329	2.8
105.07021	53.0
107.04930	10.0
107.07917	2.2
107.08585	34.0
108.08813	3.0
109.05963	1.9
109.06511	22.1
109.10153	28.4
111.08064	7.2
117.06943	10.7
119.08573	44.6
120.08895	2.7
121.02835	3.0
121.06483	5.3
121.10134	28.0
123.08053	21.5
123.11665	8.7
125.09602	5.7
127.07552	2.2
129.06972	2.9
131.08554	20.9
133.10114	31.2
135.08017	8.6
135.11710	12.1
137.05962	3.0
137.09604	12.6
138.06339	2.2
143.08575	7.4
144.36461	2.5
145.10088	17.7
147.08003	4.6
147.11679	24.9
149.09560	12.1
149.13213	5.8
151.11153	7.2
155.08521	3.2
157.10077	4.0
159.11688	16.2
161.09575	4.9
161.13199	8.0
163.11223	10.6
165.12781	6.5
169.10162	3.0
171.11656	5.9
173.13219	9.7
174.13698	2.3
175.11157	5.4
177.12718	3.8
183.11653	5.2
185.13188	3.7
187.14803	2.4
191.14362	3.2
196.63312	2.0
201.12683	5.9
201.16341	3.0
215.17943	3.5
219.17386	9.7
229.19421	6.3
235.16829	2.3
239.17896	5.5
247.20465	8.3
257.18973	13.4
275.20038	87.7
275.23022	4.8
276.20288	4.8
289.21652	11.4
307.19351	3.6
307.22708	56.5
307.28159	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2052
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
53.03929	4.9
55.01859	6.1
55.05505	23.9
57.03160	2.3
57.03432	38.5
57.07051	3.2
57.36456	1.9
65.03915	5.1
67.05498	99.3
69.07060	18.0
69.95707	13.5
71.04980	3.1
71.08591	2.7
79.05482	73.8
81.03407	2.7
81.07047	100.0
82.07364	2.7
83.04959	4.6
83.08590	8.5
85.06540	3.8
87.59296	2.4
91.05468	45.7
93.07036	79.7
93.80545	1.9
95.04962	22.7
95.08594	72.7
95.23491	2.2
97.06517	13.6
97.10175	2.4
98.21416	4.4
100.82674	2.0
103.03899	3.5
103.35327	2.3
105.07019	41.4
107.04948	2.0
107.08585	39.4
109.06497	6.2
109.10144	32.7
111.08033	4.1
116.98660	2.3
117.07011	17.3
119.08570	40.7
121.02952	2.4
121.10138	43.1
123.08067	3.7
123.11716	13.3
125.09547	2.8
128.06215	5.1
129.05481	16.1
129.06967	6.3
130.07837	2.7
131.08569	29.4
133.10120	50.7
135.11682	34.7
137.09631	2.8
137.13252	5.2
141.06982	6.1
142.07732	5.2
143.08531	25.2
144.09222	3.3
145.10103	28.6
147.08049	4.9
147.11678	13.1
149.09584	6.9
149.13222	18.0
153.07079	3.2
155.06998	2.7
155.08455	4.3
156.09326	2.6
157.02789	2.4
157.10109	14.6
158.10866	2.7
159.11681	24.4
161.09608	4.4
161.13232	4.6
163.11107	2.7
167.08527	8.4
169.10080	10.3
170.10794	4.3
171.11644	10.4
173.13245	19.4
179.08583	5.2
180.09273	4.0
181.10100	6.6
182.10890	7.4
183.11682	9.5
185.13130	2.3
187.11179	5.2
187.14838	4.0
189.16357	7.1
191.17912	6.2
193.10094	6.5
195.11676	5.6
196.12488	4.1
197.13161	7.2
199.15005	2.8
201.12506	2.9
205.10138	2.8
206.10909	5.0
207.11656	9.3
208.12421	4.0
209.13226	6.5
211.14784	5.9
215.17931	42.3
218.10846	3.7
219.11641	3.6
220.12459	3.1
221.13179	15.5
223.14801	9.7
227.14331	2.7
228.60056	2.3
231.11749	3.8
233.13242	10.2
233.18974	13.0
234.14037	6.1
235.14685	4.4
237.12755	4.4
237.16412	5.1
245.13295	3.3
247.14796	4.9
248.15526	4.4
249.16243	5.1
251.14206	5.5
259.14795	6.7
261.16458	2.7
263.17981	17.7
265.16071	3.7
265.19547	2.1
274.17203	5.7
279.21097	5.1
289.19385	11.7
307.20050	29.6
307.22638	84.3
308.23160	4.3
313.42856	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.3
55.05515	28.2
56.04938	3.7
57.03422	7.7
65.03905	3.1
67.05496	36.2
69.03418	7.4
69.07076	18.2
70.06577	3.3
71.04978	6.1
79.05484	35.9
80.93616	3.6
81.03406	6.1
81.07050	38.0
82.07389	3.9
83.04976	8.1
83.08596	11.8
85.06524	4.4
91.05479	34.2
93.07041	30.7
95.04959	37.8
95.08593	23.8
97.02864	3.7
97.06526	45.4
97.10131	12.8
98.29953	3.3
98.98454	6.0
101.09725	3.6
103.05489	6.7
105.07011	47.5
107.04915	6.4
107.08605	23.9
108.53694	4.1
109.06488	13.2
109.10163	19.4
111.08072	5.4
117.06997	14.9
119.08578	38.3
121.02836	14.4
121.06495	9.9
121.10162	25.4
123.08050	6.6
125.09653	5.4
128.06194	12.9
129.06967	12.8
130.07787	5.2
131.08559	28.9
133.06476	5.4
133.10126	26.9
135.08037	8.7
135.11688	4.7
137.05969	6.1
137.09590	7.7
141.06976	8.1
142.07793	15.3
143.08514	20.2
144.09322	5.3
145.06430	6.3
145.10158	22.7
147.04457	4.2
147.08018	9.7
147.11661	7.6
151.07474	4.9
153.06894	4.7
154.07657	6.3
155.08531	12.2
156.09296	8.0
157.10118	29.2
158.81525	4.0
159.08018	17.1
159.11653	14.9
161.01950	3.6
161.09607	11.1
163.07674	4.7
163.11121	4.6
165.06992	11.8
166.07706	4.2
167.08548	14.6
168.09305	8.4
169.10101	20.3
171.08052	3.8
171.11702	12.7
173.13272	11.9
175.11195	5.3
179.08591	13.7
180.09332	6.1
181.10120	14.9
183.11696	28.8
185.09599	9.5
185.13235	4.5
187.11160	9.5
187.14819	4.9
189.09105	5.1
189.11223	5.8
192.09308	7.9
193.10091	20.1
194.10814	4.4
195.11688	18.0
197.13188	14.8
199.11064	4.4
199.14841	12.7
201.12775	9.1
206.10957	9.9
207.11638	15.6
208.12405	7.2
209.13197	27.5
211.09610	10.1
211.11284	6.8
211.14833	9.3
213.05424	5.4
213.12720	5.3
215.14479	3.6
217.10106	6.0
218.10860	5.1
219.11633	5.9
220.12469	6.9
221.13226	12.3
222.13933	3.7
223.14799	23.5
229.12209	9.0
232.12378	4.1
233.13261	11.7
233.15335	7.2
235.14783	8.3
236.11922	6.0
237.12753	9.3
237.16231	4.4
239.17924	15.3
246.13701	3.9
247.15031	5.1
249.16367	8.0
251.14264	16.3
259.14908	6.8
263.12650	4.8
263.17856	10.9
265.15945	5.5
274.17252	6.7
277.15863	3.8
279.21149	21.8
289.18063	19.2
307.09988	5.5
307.15659	5.2
307.20590	100.0
308.20895	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1903
Annotation	Corrin
Peak:m/z	Relative Intensity
53.03935	4.5
55.01870	7.9
55.05498	18.3
55.74334	1.6
57.03431	6.4
59.05018	2.0
59.13202	1.8
65.00637	1.7
65.03931	3.4
67.05499	23.2
69.03441	3.0
69.07063	14.2
70.00940	10.6
71.04999	5.5
77.93214	1.8
79.05484	26.7
81.03409	4.0
81.07047	35.9
83.04971	6.6
83.08611	10.0
91.05470	36.1
93.07031	26.8
95.04953	28.6
95.08605	15.4
97.06522	28.7
97.10159	9.7
98.21358	2.6
98.98466	2.0
103.05449	3.4
105.07013	44.2
107.04953	6.2
107.08587	19.9
109.06506	13.0
109.10157	11.3
111.08087	2.5
115.05453	4.3
117.07019	17.2
119.08567	50.2
119.09393	2.8
119.92100	1.7
121.02885	6.1
121.06492	11.3
121.10111	11.9
123.08076	3.7
123.11671	2.2
125.09634	9.1
128.06223	11.7
129.07010	16.3
130.07809	3.0
131.04927	1.7
131.08551	28.4
133.06534	3.5
133.10117	54.8
135.08020	8.9
135.11710	4.6
137.06020	3.5
137.09576	2.6
141.07001	11.6
142.07793	12.9
143.08543	38.2
143.09596	2.7
144.09372	7.2
145.06537	6.4
145.10115	29.3
145.11200	2.2
147.08049	10.2
147.11638	8.0
149.09665	6.2
151.07549	1.9
153.06972	3.7
153.09015	1.8
154.07785	5.8
155.01033	1.6
155.08536	13.2
156.09308	11.8
157.10112	29.9
158.10890	7.8
159.08047	7.8
159.11685	19.4
161.09567	11.0
163.07602	3.9
163.11203	3.3
165.07069	5.5
166.07797	2.3
167.08540	16.2
168.09390	4.7
169.10107	27.1
170.10904	4.5
171.11673	15.8
172.08885	2.0
173.09671	6.8
173.13258	13.7
177.12778	3.9
178.07826	2.6
179.08533	9.7
180.09373	4.0
181.10100	16.5
182.10905	14.8
183.11646	16.4
184.12575	2.0
185.09689	4.1
185.13280	6.1
187.11095	8.4
187.14960	1.9
189.09084	2.7
189.11272	4.4
189.12842	1.9
191.08592	3.5
191.14449	2.2
192.09358	4.9
193.10086	15.8
194.10896	9.0
195.11685	14.0
196.12489	6.5
197.13216	19.1
198.13988	1.7
199.11292	2.2
199.14833	7.9
201.12782	5.8
205.10239	3.6
206.10880	11.0
207.11699	18.1
208.12463	11.2
209.13248	15.1
210.13998	1.9
211.14784	10.1
215.14400	2.5
215.17943	1.7
216.09367	1.6
217.10184	6.0
218.10985	4.5
219.11746	7.4
219.13672	2.0
220.12508	6.7
221.13226	24.5
222.14113	6.3
223.11478	2.1
223.14786	18.1
225.16374	3.4
227.14371	3.6
229.10292	2.3
229.12340	6.3
230.10896	2.9
231.11743	5.1
232.12552	4.1
233.13295	13.9
233.15408	2.2
234.14073	6.8
235.14851	11.0
236.11934	2.6
236.15596	2.3
237.16452	5.6
239.14392	2.9
239.18053	2.0
243.17407	1.8
244.12556	4.0
245.13393	4.9
246.13997	3.6
247.15102	9.3
248.15578	9.6
249.16438	7.1
251.14294	8.7
251.18022	4.1
259.14816	13.6
260.15701	2.4
261.16284	4.1
263.17892	20.6
265.16043	2.1
271.16876	8.9
274.17139	8.6
275.20059	2.3
279.21088	7.0
289.18134	17.2
307.09943	2.0
307.20609	100.0
308.21039	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1536
Annotation	CHEBI:69327
Peak:m/z	Relative Intensity
53.03943	2.5
54.10622	1.6
54.41987	1.7
55.01859	6.9
55.05505	12.4
56.96538	2.2
57.02663	2.1
57.03421	5.6
65.36597	1.6
67.05499	16.5
68.28630	1.5
69.03399	2.9
69.07064	14.3
70.86897	5.4
71.04977	7.3
71.08628	1.7
72.20058	2.0
72.68995	1.9
79.05485	17.5
81.03407	3.4
81.07041	20.2
83.04979	8.3
83.08595	4.0
85.06528	1.9
90.10755	1.6
91.05465	22.5
93.07038	15.3
95.04954	9.8
95.08598	14.5
96.97072	2.3
97.06529	18.6
97.10120	2.7
99.08116	2.9
103.05460	8.8
105.07021	16.2
107.04951	6.8
107.08565	11.0
109.06537	10.0
109.10124	9.2
111.08088	2.1
113.06030	1.8
115.05465	9.9
115.52463	1.6
117.06998	10.3
119.04917	2.2
119.08587	10.6
121.02840	11.0
121.06506	12.1
121.10118	8.4
123.08075	4.7
123.11736	1.8
125.09611	3.3
128.06238	4.2
129.05464	2.6
129.07019	8.1
131.04909	16.2
131.08565	12.2
131.19328	1.6
132.05690	2.7
133.06496	5.7
133.10104	8.4
135.04381	3.2
135.08047	7.6
135.11710	4.1
137.05966	14.0
137.09604	4.3
141.06995	6.2
142.07832	3.2
143.04984	2.6
143.08588	8.7
144.05664	5.2
145.06477	21.5
145.10110	4.8
147.04395	8.3
147.08029	5.6
147.11670	4.0
148.05144	2.8
149.05978	8.3
149.09624	4.9
149.13275	3.7
151.07570	8.3
153.06903	2.2
154.07762	5.5
155.08580	4.1
157.06477	4.9
157.10094	5.7
158.07269	4.3
159.04404	17.9
159.08054	12.9
159.11667	6.5
160.05193	16.6
161.05952	32.5
161.09616	3.2
162.03125	4.8
163.03899	7.0
163.07520	10.1
167.08521	2.9
168.05687	1.7
169.06436	4.7
169.10088	6.3
171.08043	4.2
173.05981	14.8
173.09604	5.3
173.13258	4.0
174.06737	9.1
175.03862	1.8
175.07527	11.4
175.11205	2.8
176.04712	8.1
177.05472	25.4
177.09062	4.3
179.03351	4.5
179.07152	2.3
179.08554	3.8
183.06537	11.9
183.11760	5.4
185.06020	4.9
185.09554	2.4
186.10356	2.3
187.04041	2.1
187.07526	11.8
187.11200	7.4
188.04663	6.4
188.08327	6.1
189.05475	14.8
189.09131	15.7
189.10783	2.3
190.06194	4.5
191.03404	3.5
191.07002	20.8
191.10628	2.9
192.04222	2.0
192.07872	2.5
193.04948	5.0
194.05777	6.2
195.06480	3.1
196.08876	2.6
197.08066	3.3
197.09650	8.4
199.07594	5.6
201.09085	5.9
201.12744	5.1
202.06190	3.6
203.07031	9.9
203.10670	13.0
204.04225	5.8
205.04939	17.3
205.08501	15.5
205.12384	2.1
206.05797	10.4
207.02896	8.0
207.06534	7.3
207.11784	2.8
208.03661	4.4
208.07152	2.7
209.04330	2.2
209.08026	20.4
209.13391	2.3
210.08864	2.1
211.09570	4.4
213.05464	4.9
213.09056	2.1
214.09927	3.2
215.07130	2.9
215.10675	6.9
215.17987	2.0
216.07826	1.8
217.08607	25.0
217.11983	2.1
219.06522	7.6
219.10143	3.4
219.13678	3.0
220.07259	6.8
221.04549	4.2
221.08046	28.0
221.09969	2.3
222.05194	18.6
222.08603	1.9
223.06033	21.6
223.09563	15.1
224.06647	2.5
225.09148	5.3
227.07091	4.2
229.08488	2.5
229.12213	16.4
231.10107	29.3
231.12061	2.5
232.10677	3.1
233.08041	8.2
233.11800	3.5
233.15338	4.7
234.08894	2.8
235.09605	10.1
237.07545	42.2
237.11061	8.6
238.08282	13.1
239.08905	2.1
243.10115	3.3
243.17575	3.1
247.09650	5.6
247.13269	32.0
248.10539	3.1
249.07603	6.9
249.11153	16.1
251.09103	6.4
251.12802	3.3
257.11685	22.6
259.09695	3.7
260.10394	2.5
261.18524	4.1
263.09167	6.5
263.12830	8.7
265.10812	3.8
267.09113	2.4
271.16876	2.8
274.11938	3.1
275.12814	10.4
279.15839	17.4
285.09970	2.2
289.14359	22.5
289.17972	10.2
292.13058	2.6
307.09677	6.5
307.15411	100.0
307.19040	12.2
308.15643	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01877	5.1
55.05506	8.5
57.03436	10.2
57.07065	1.7
65.03928	2.1
67.05496	30.0
68.99776	1.2
69.03391	3.0
69.07057	15.1
70.04053	1.7
70.06773	4.2
71.04959	1.6
75.75196	0.9
79.05483	29.4
81.03384	2.5
81.07046	29.8
83.04945	2.4
83.08602	2.8
85.06520	2.8
91.05466	19.8
93.07030	19.8
94.68485	1.0
95.04955	7.2
95.08594	17.1
97.06518	100.0
97.10170	2.4
98.06833	2.3
98.98447	1.6
99.08069	1.2
103.05436	3.3
105.07003	14.0
106.04170	2.1
107.04900	2.8
107.08589	12.5
109.06529	5.9
109.10129	11.3
115.05423	2.1
117.03400	1.4
117.07016	5.2
119.04946	6.1
119.08554	7.8
121.02856	2.2
121.06530	5.2
121.10118	11.9
123.04420	3.0
123.08063	2.0
123.11703	3.4
125.05978	1.0
125.09621	1.5
128.06212	1.1
129.05434	1.2
129.06982	2.0
131.04892	4.3
131.08534	7.2
133.06467	3.3
133.10115	7.5
135.04402	1.9
135.08022	2.8
135.11650	6.1
137.05971	15.9
137.09550	1.8
138.06294	7.9
143.08505	3.1
145.06450	3.2
145.10059	5.4
147.04405	7.8
147.08005	1.4
147.11664	3.7
149.05980	5.9
149.09608	2.5
149.13219	3.3
151.07561	2.8
151.11177	1.3
153.05397	1.9
155.03320	2.1
155.08504	1.8
157.10117	1.8
159.04428	2.5
159.08057	2.5
159.11678	7.1
160.05194	1.8
161.05959	3.7
161.13222	1.2
163.03882	3.7
163.07463	1.9
165.05684	1.2
165.09070	6.4
165.12738	2.1
169.10127	1.8
170.05760	4.7
171.11723	2.0
173.05946	2.2
173.13237	3.2
175.07533	2.7
176.04633	1.4
177.05438	8.2
179.06995	3.5
180.04158	2.5
181.04921	4.6
181.08472	2.5
181.09909	1.1
183.06610	5.1
183.11693	1.8
187.11092	2.0
187.14944	1.0
189.05435	1.8
189.09029	2.2
191.06993	3.4
194.05782	1.5
195.06480	10.4
195.11655	1.3
196.07271	11.2
203.10667	1.8
205.04933	1.2
207.06471	1.6
207.10168	2.9
209.08047	7.3
209.13148	1.3
210.08649	1.3
211.09613	26.4
215.17947	5.1
217.08597	1.6
221.08118	3.7
222.05200	1.9
223.09596	2.0
229.12123	2.3
231.10077	2.4
233.07999	1.6
233.18942	2.8
237.07547	3.9
247.13161	2.4
249.11182	1.6
257.11731	3.4
263.12857	8.3
266.11459	1.8
275.12857	1.6
275.20087	2.8
289.14261	3.1
289.17648	1.7
307.12711	2.4
307.15582	13.6
307.22958	20.0
308.15744	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1284
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
50.50092	0.6
52.59076	0.5
55.01856	1.9
65.03938	0.6
67.05486	1.1
69.03409	0.7
69.07070	0.8
70.01051	1.6
70.01462	1.3
70.06580	1.4
71.23985	0.5
76.02222	0.7
78.85051	0.5
79.05457	0.8
81.03410	1.0
81.07008	0.8
81.44484	0.6
84.04478	0.7
84.08099	0.9
85.02875	1.7
91.05446	1.3
93.07030	1.8
95.04944	1.2
96.04468	0.8
98.06006	0.6
98.21328	1.0
105.07012	1.5
106.06569	0.7
107.08554	1.8
108.04469	1.5
115.05488	0.6
117.06937	0.9
117.18877	0.5
119.08536	0.7
120.08031	0.8
122.06038	2.8
123.04370	0.6
123.08106	0.6
127.03896	0.8
129.06924	0.9
129.10208	0.5
131.08557	0.8
133.06357	0.7
135.08025	1.9
136.07509	1.5
140.07018	2.0
143.08508	1.3
150.05515	0.8
156.08051	0.6
157.10062	0.9
158.05920	0.6
159.08006	0.8
159.11659	0.9
160.07556	1.4
163.08617	0.9
168.06627	1.2
173.13310	0.9
174.09074	2.8
177.10234	1.1
178.08600	14.2
183.11688	0.8
184.07497	1.4
187.08711	1.3
187.11093	1.0
188.07014	3.9
191.08203	1.1
196.09674	0.6
198.09105	1.6
201.06645	1.0
201.10258	3.3
201.12729	1.0
202.08578	6.2
205.09685	4.0
206.08186	2.8
215.11859	0.7
216.10229	2.9
217.72795	0.7
219.07608	1.4
219.11273	4.6
220.09639	2.1
226.08603	2.0
229.09688	4.9
229.12144	1.6
230.08049	3.0
243.11287	1.5
244.09625	3.8
247.10774	11.5
247.13103	0.8
248.09152	1.0
254.07889	0.8
261.12225	1.2
262.10733	1.7
265.11810	14.5
271.10721	2.1
272.09164	1.8
283.08401	0.5
289.11761	13.6
290.10120	0.7
292.07117	0.6
307.12833	100.0
308.13275	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1537
Annotation	Phomadecalin B
Peak:m/z	Relative Intensity
53.03938	9.4
55.01865	14.3
55.05498	33.9
57.03423	12.6
58.05219	7.1
67.05506	45.2
69.03440	14.1
69.07064	23.9
69.49329	18.9
69.49744	35.9
71.04983	8.3
79.05499	47.2
81.03416	6.8
81.07058	70.5
83.04961	10.6
83.08609	14.5
85.06555	9.9
85.99666	5.9
88.07632	6.4
91.05466	55.0
92.74686	6.9
93.07041	48.4
95.04961	25.7
95.08607	42.6
97.06525	81.1
97.10179	10.9
98.21391	10.5
105.07007	61.0
107.04966	17.5
107.08589	44.2
109.06525	18.6
109.10122	44.9
109.91937	6.5
110.20185	6.3
111.08106	8.1
115.05454	11.9
117.07041	24.0
119.08545	38.6
121.02845	15.4
121.06506	29.4
121.10145	18.5
123.08057	13.8
123.11736	14.8
125.09573	7.7
128.06227	23.9
129.06992	23.8
130.07808	8.4
131.08559	54.8
133.06479	12.2
133.10127	25.6
135.08052	22.5
135.11667	17.7
137.05948	17.5
137.09720	13.1
137.13405	6.3
139.91837	5.8
141.06947	12.7
142.07732	11.8
143.08560	47.8
144.09326	6.8
145.06494	16.9
145.10103	21.1
147.04353	8.6
147.08081	17.6
147.11656	15.1
149.05988	7.3
149.09583	9.2
151.07571	11.1
153.06984	11.7
155.08543	20.7
157.10129	45.8
159.08034	29.6
159.11694	31.2
161.09634	22.1
163.07547	17.1
163.11172	7.2
168.09296	15.7
169.10278	8.8
171.11737	8.1
173.05972	9.8
173.09637	12.0
173.13275	20.5
174.06252	7.0
175.11203	11.8
177.09235	8.3
179.10564	6.3
183.11674	50.6
185.09581	12.5
187.11185	36.4
189.09152	27.7
201.12743	65.6
203.10562	9.6
211.09514	11.8
211.11299	12.4
219.13799	14.1
229.12230	100.0
247.13289	67.1
265.14236	13.5
271.16968	11.0
289.18066	42.2
307.15521	13.6
307.19238	32.1
307.26453	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.9
55.01852	3.6
55.05505	13.0
57.03428	6.1
57.07067	4.9
59.04992	1.4
59.89568	0.9
61.02903	3.6
65.03905	0.9
67.05499	12.2
69.03420	35.7
69.07054	27.6
69.54608	0.8
69.74505	0.8
71.02723	2.1
71.03086	1.7
71.04984	11.5
73.02898	3.2
79.05485	10.5
81.03410	30.6
81.07045	38.4
83.01334	1.0
83.04964	3.8
83.08616	7.2
84.08167	1.1
85.02895	83.0
85.06535	2.5
87.04449	1.8
91.05465	7.5
93.07034	25.1
95.04951	7.1
95.08591	30.1
97.02250	1.3
97.02876	24.6
97.06537	5.0
97.10158	3.5
98.98429	1.3
99.04439	46.8
99.08074	1.6
103.03929	90.0
105.07015	8.9
107.04968	1.1
107.08582	17.0
109.02152	1.9
109.02867	25.2
109.06496	3.5
109.10143	16.4
111.04430	1.3
111.08079	6.0
111.11691	2.6
115.05379	1.1
117.06983	2.9
119.08566	6.5
121.06499	1.8
121.10132	15.2
123.08047	3.7
123.11688	14.8
125.09557	1.8
127.03900	100.0
128.04282	1.2
130.07698	1.0
131.08577	5.0
133.10103	4.7
135.08057	2.2
135.11673	8.3
137.05969	1.8
137.09589	2.0
137.12376	1.0
137.13245	5.8
139.03865	1.4
139.11153	2.4
142.07722	0.9
143.08534	1.7
145.04951	28.2
145.10149	5.4
147.08041	2.1
147.11671	3.2
149.09659	1.3
149.13210	5.3
151.07535	2.2
151.11156	2.2
153.12727	2.0
157.10083	1.3
159.07993	1.4
159.11673	4.4
161.13214	2.2
163.06010	9.1
163.11188	4.4
163.14810	2.2
165.09222	1.0
167.10617	1.5
173.13220	2.6
176.04239	0.9
177.12657	1.7
177.16385	2.2
183.11705	2.1
187.05986	17.1
187.07558	1.1
187.11160	1.5
187.14774	1.8
189.09010	1.2
189.16324	1.1
191.17946	1.4
201.12737	1.2
205.07066	5.7
205.08720	1.1
209.18813	1.2
214.91245	1.0
229.12166	2.4
235.20602	1.3
245.22502	1.6
247.13335	3.3
271.08060	1.2
271.24149	3.3
289.18005	1.5
289.25140	4.0
307.06226	1.8
307.09467	1.3
307.18884	3.0
307.26270	11.0
329.29205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93655	1.4
69.57351	13.5
70.06590	3.4
79.05507	2.3
81.07057	2.7
84.04483	2.6
84.08131	2.1
85.02898	3.5
86.09718	2.3
87.00835	3.6
91.05475	2.9
94.06557	2.8
95.08611	1.9
97.02951	1.4
98.98505	1.5
105.06989	2.5
107.08566	3.1
109.06490	1.8
129.10191	1.5
130.06509	93.3
131.06787	1.4
131.08566	2.4
132.04433	26.6
132.05344	2.6
132.95929	2.0
137.06062	1.7
143.08536	2.1
145.10133	1.7
146.05981	6.2
154.15558	1.3
157.07594	79.0
158.05994	100.0
173.07137	4.4
175.08650	50.3
176.06987	3.8
183.11551	2.4
187.11177	2.6
189.09221	2.6
197.07097	3.4
198.96762	2.4
201.06654	6.8
201.12743	4.2
203.08144	4.7
209.83200	1.5
221.09207	3.3
229.12143	7.5
243.07634	12.6
245.09279	1.4
247.07277	1.7
247.13264	5.0
261.08664	38.2
271.07144	2.0
289.08234	9.2
307.09387	4.2
307.12698	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.01870	1.2
55.05506	8.6
56.05257	0.2
57.03417	0.7
57.07056	1.0
59.04973	0.3
61.69762	0.2
65.03935	0.4
67.05494	12.5
69.07059	9.5
69.17876	0.3
69.41574	2.7
69.93856	0.2
70.06570	0.4
70.07359	0.3
71.08624	0.2
72.04496	0.6
79.05486	4.3
80.04980	0.3
81.03437	0.3
81.07043	10.5
82.06538	0.3
83.08607	2.9
85.05272	3.0
85.06512	0.3
86.06057	1.2
90.68848	0.2
91.05478	2.1
93.07036	3.2
95.04945	0.5
95.08595	7.0
96.08109	0.5
97.06526	1.0
97.10137	1.0
98.06042	16.9
105.07027	2.1
107.08585	1.7
109.06485	0.6
109.10142	2.5
110.09650	0.6
112.07594	2.3
115.05386	0.3
117.06995	0.4
119.08566	1.5
121.10119	1.5
122.03625	0.3
123.07963	0.3
123.11702	0.8
124.07600	0.5
124.11240	0.5
125.08359	0.3
125.09563	0.4
126.09116	0.6
131.08568	0.5
133.10094	1.2
135.11618	0.6
137.05962	5.3
137.09599	0.4
138.09111	0.4
140.10696	1.2
145.10063	0.6
147.11656	0.5
149.13228	0.3
152.10677	0.5
154.12245	0.8
157.10060	0.3
159.11642	0.4
168.13823	0.7
182.15385	0.8
183.11678	0.3
194.15349	0.5
196.16939	0.9
208.16936	1.2
210.18486	0.4
219.17424	0.8
222.18619	0.6
224.20030	0.4
236.20108	0.5
245.75273	0.3
275.20078	0.9
306.27866	100.0
307.23022	1.5
307.28195	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41609	0.7
53.03933	0.9
55.01873	3.4
55.05508	5.6
57.03421	1.8
57.07066	3.2
59.05003	1.5
65.03918	0.7
67.05506	11.4
69.03423	1.9
69.07067	9.4
70.06602	0.8
71.04980	1.1
71.08625	5.8
71.34356	1.4
79.05491	8.9
79.38715	0.7
81.02836	0.6
81.07047	12.9
83.04961	1.9
83.08610	2.5
85.06526	1.8
86.06021	0.9
91.05481	7.8
93.07034	11.6
94.04169	1.8
94.07355	0.8
95.04961	11.2
95.08599	17.4
96.08920	0.8
97.06525	14.8
97.10178	1.1
99.08073	4.1
100.07629	0.9
103.05489	0.7
105.07026	6.5
107.04953	1.9
107.08578	8.3
109.06511	17.5
109.10162	5.4
110.16125	0.8
111.08051	1.2
114.09169	1.2
117.07012	2.5
119.04959	1.0
119.08581	7.1
121.02898	1.0
121.06499	6.1
121.10123	4.0
122.03640	5.4
123.08076	2.3
123.11685	0.7
125.09610	1.1
129.06990	1.1
131.04941	1.0
131.08575	3.9
133.06500	0.9
133.10127	5.2
135.08035	3.3
135.11691	3.1
137.05971	100.0
137.09572	4.3
138.06320	2.0
143.08563	1.2
145.06610	0.8
145.10132	2.8
147.04424	0.7
147.11676	3.2
149.05971	1.5
149.09619	2.3
149.13252	1.7
151.07567	0.7
151.11171	1.6
151.14832	0.8
153.12737	2.1
154.12283	2.9
155.00978	0.8
155.08533	0.8
159.11702	2.2
161.13150	0.9
163.03908	1.3
163.11192	3.1
165.12743	41.0
169.86841	0.9
170.15382	2.4
171.11673	1.4
173.13257	5.0
175.11179	3.4
177.05542	1.2
177.12740	2.2
179.07062	1.4
179.14304	0.8
182.15382	1.8
183.11681	1.1
184.13329	1.9
187.14781	0.8
189.12762	1.0
191.14282	8.0
198.34708	0.7
201.12807	1.9
208.17010	1.2
209.08131	2.0
211.09654	2.4
221.15300	0.9
229.12343	1.4
229.19551	1.4
233.15321	1.4
243.21008	1.0
247.13193	0.9
247.20589	0.8
250.17957	1.0
261.22083	4.0
263.12784	1.6
266.11295	0.9
271.20590	3.0
275.20023	2.6
289.14581	1.2
289.21582	30.3
290.21893	2.1
292.12665	0.7
306.20969	2.5
306.24274	18.3
306.27777	1.9
306.31659	2.6
307.15350	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.2
58.02952	0.2
65.03932	0.2
65.95789	0.1
66.04710	0.2
67.05477	0.3
69.07066	1.5
71.19979	0.2
79.05462	0.7
81.07040	0.9
83.08601	0.3
84.08117	0.3
84.78468	0.1
91.05459	0.6
93.07037	0.5
94.04169	2.1
95.04954	0.1
95.08594	0.4
97.06506	0.5
99.19939	0.1
100.07602	0.3
103.61570	0.1
105.07049	0.2
107.04941	0.3
107.08593	0.6
109.06493	0.5
109.10174	0.6
111.08054	0.1
114.09148	0.5
122.03630	7.1
123.11719	0.2
126.09113	0.3
133.10089	0.8
135.11678	1.3
137.05960	100.0
138.06284	0.9
138.12793	0.2
147.11679	0.1
151.11171	0.3
153.12724	1.0
165.12697	0.2
170.15398	2.4
182.15388	2.5
270.60172	0.1
306.20511	0.7
314.92828	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14150	5.3
55.01857	10.0
55.05499	37.0
57.03425	14.7
57.07056	13.1
59.04993	17.4
62.20816	6.3
62.83934	7.6
65.90614	6.1
67.05497	50.6
69.03407	9.5
69.07041	34.0
71.04971	7.1
71.74739	11.5
72.29841	5.3
73.18212	5.7
79.05478	65.4
80.61828	6.9
81.07046	87.3
83.04958	10.5
83.08605	15.6
85.06532	77.6
86.85957	7.1
91.05465	100.0
93.07028	92.8
95.04944	29.8
95.08590	76.2
97.06498	19.1
97.10191	8.3
99.04443	12.2
105.07020	87.6
107.08591	43.7
109.06521	25.8
109.10153	15.5
111.08032	14.1
113.05991	39.1
115.05447	7.5
117.07001	36.3
119.08549	58.7
121.06506	12.8
121.10136	46.9
123.08007	14.8
125.05987	7.9
125.09613	46.8
128.06232	15.0
129.06961	27.5
130.07741	12.7
131.08554	69.7
133.06502	9.3
133.10098	45.9
135.08012	33.9
135.11659	14.4
137.05965	83.5
137.09573	8.3
139.11191	7.5
141.06987	7.0
142.07727	7.1
143.08549	51.8
145.10123	65.8
147.08049	11.7
147.11705	16.4
149.05943	12.2
149.09605	29.9
151.07489	8.8
151.11201	10.8
154.07758	5.9
155.08511	7.7
157.10144	31.9
159.11696	25.5
161.09631	19.9
163.11099	12.2
169.10110	18.0
171.11653	24.2
173.13281	7.8
175.11182	12.6
182.10864	7.8
183.11665	10.3
185.13214	14.8
187.14755	8.7
189.12483	10.5
193.12242	14.8
195.11684	13.2
201.16420	8.4
203.43242	6.5
205.12132	7.7
215.14432	7.4
237.16406	14.2
240.88634	6.2
245.15440	7.7
255.17171	13.1
263.16385	6.5
273.18503	21.1
287.16537	12.8
287.19946	17.3
305.17694	16.8
305.21036	58.9
305.24509	12.1
305.31549	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2107
Annotation	monacolin L lactone
Peak:m/z	Relative Intensity
53.03948	4.0
55.01862	4.6
55.05507	28.4
56.96556	5.2
57.03418	6.7
57.07053	8.9
59.04975	4.0
59.79591	3.6
60.22653	3.3
61.02904	3.3
63.02335	3.3
64.39774	3.5
64.75136	4.0
67.05501	43.6
69.03410	12.4
69.07068	28.1
70.06570	3.6
70.29630	13.8
71.04974	7.6
79.05476	29.4
81.03394	3.9
81.07044	54.2
83.04976	24.3
83.08591	14.4
85.06543	8.8
91.05471	34.5
93.07034	75.7
95.04960	22.8
95.08599	66.2
97.02879	4.9
97.06517	17.4
97.10150	6.9
101.06018	6.0
105.07026	63.1
107.04955	3.5
107.08564	54.0
109.06485	22.6
109.10159	26.7
111.04471	3.7
114.70891	3.6
117.07035	17.3
117.46309	3.3
119.08562	64.2
121.06449	8.5
121.10121	71.3
123.08025	17.8
123.11692	23.6
125.05927	4.0
125.09616	11.2
128.06203	7.8
129.06987	10.2
130.07724	5.3
131.08565	46.4
133.06410	3.7
133.10117	39.1
135.08006	13.5
135.11676	15.2
137.05971	5.1
137.09552	6.4
139.07574	4.7
139.11217	4.0
141.06934	4.3
142.07751	14.7
143.08577	30.5
144.09296	6.5
145.06531	5.2
145.10117	47.1
147.03043	4.0
147.08012	10.6
147.11664	15.7
149.09599	22.2
149.13231	13.7
151.07533	5.1
155.08533	7.2
156.09369	8.3
157.10121	44.6
158.10876	11.3
159.08028	4.3
159.11676	56.4
161.09602	19.0
161.13266	12.4
165.09093	15.9
167.08578	5.0
167.10620	8.9
169.10146	18.6
170.10818	6.9
171.11673	40.9
173.09618	7.5
173.13245	53.5
174.13951	6.4
175.11172	12.0
175.14824	13.9
177.12723	14.0
183.11649	13.2
185.13245	24.5
187.11140	13.4
187.14792	18.4
189.12695	8.2
191.14330	6.9
195.11650	8.0
197.13182	7.4
199.11234	5.9
199.14790	19.4
200.15451	3.8
201.12700	5.9
201.16371	5.8
203.14276	10.6
205.12263	4.3
209.13263	6.3
211.14809	12.5
213.12669	14.1
213.16246	21.6
214.17184	4.6
215.17950	8.1
224.07983	18.9
225.16278	7.8
227.14343	6.7
227.17998	3.8
229.15947	6.1
231.13828	8.6
241.19447	17.5
243.17426	8.4
243.25084	5.2
259.20486	6.2
269.18970	19.2
287.20096	29.8
305.17224	51.8
305.21063	100.0
305.24588	9.9
305.28772	14.7
306.17194	5.8
306.20810	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2106
Annotation	Agallochin I
Peak:m/z	Relative Intensity
55.05513	27.4
57.03437	7.7
59.05001	53.9
67.05485	22.0
69.07050	19.6
72.65115	4.9
78.95785	5.5
79.05481	28.5
81.07031	18.7
83.04966	8.9
83.08613	7.5
85.06551	36.5
91.05470	58.4
93.07032	38.4
95.04926	15.6
95.08588	33.2
97.06505	14.3
97.33686	5.3
105.06998	52.3
107.08609	26.5
109.06482	16.2
109.10135	10.4
110.15258	5.3
111.08074	5.0
115.05422	8.0
117.06989	20.9
119.08568	44.0
121.06525	5.7
121.10129	54.0
123.08073	33.2
123.08830	6.7
125.09602	23.8
128.06178	6.6
129.06912	10.0
130.07773	8.2
131.08530	22.0
133.06516	7.1
133.10129	17.7
135.08017	42.7
135.11649	6.9
137.05936	7.8
137.09630	4.7
143.08530	16.6
145.10092	37.7
147.11650	11.7
148.07040	6.0
149.09607	46.9
150.10391	57.2
151.11180	56.2
151.56041	4.8
156.09323	16.6
157.10095	21.1
159.11642	13.0
160.86830	4.7
163.11157	8.6
165.09093	24.0
167.10678	38.8
169.10104	6.1
171.11650	28.4
173.09586	9.0
173.13246	13.3
175.11208	9.3
177.12756	12.4
181.10164	7.7
182.10931	11.5
183.11679	6.4
185.13174	8.5
187.14838	6.0
189.12622	8.8
193.10121	6.0
195.11629	11.1
197.13277	19.2
199.11205	9.7
205.12202	39.3
205.15845	7.3
207.11606	12.0
215.14188	11.3
218.20946	5.9
222.13989	7.6
229.15833	8.0
237.16330	15.2
255.17451	27.0
269.18842	12.8
273.18466	6.0
287.17130	8.4
287.20056	82.0
305.18134	3.8
305.21109	100.0
305.24457	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2108
Annotation	Caribenol B
Peak:m/z	Relative Intensity
53.03931	1.1
55.01871	2.8
55.05503	11.7
57.03424	0.9
57.07061	0.7
59.04988	1.1
65.03923	0.8
67.05499	7.8
68.36605	0.5
69.03416	1.7
69.07059	4.4
69.80587	3.0
71.04977	1.1
72.88996	0.6
79.05486	12.5
81.03393	1.5
81.07045	10.5
83.04968	1.4
83.08616	4.6
85.06550	1.0
85.57880	0.7
87.46603	0.6
91.05470	11.8
93.07034	10.9
95.04947	3.6
95.08599	6.4
97.06492	1.2
97.10155	5.2
103.05446	1.0
105.03365	0.7
105.07024	11.6
107.04959	3.7
107.08584	7.3
109.06511	1.6
109.10146	2.4
115.05439	0.9
117.07017	5.2
119.04914	1.9
119.08578	9.4
121.06500	3.5
121.10141	3.6
123.08047	1.2
125.09621	5.1
128.06197	1.0
129.06984	3.2
130.07753	1.1
131.08556	6.1
133.06477	3.6
133.10129	2.6
134.07274	1.2
135.08017	3.1
135.11710	1.7
137.06003	0.9
143.08551	2.5
145.06422	0.7
145.10115	5.1
147.08040	5.4
147.11668	1.5
149.09607	2.0
151.07533	0.5
157.10103	2.0
159.11723	1.0
161.09612	2.2
161.13091	0.7
162.10416	0.6
163.11192	1.7
171.11688	1.1
175.11165	1.9
203.12775	1.4
205.12234	0.8
255.17519	1.7
263.16302	0.7
273.18417	5.9
281.61331	0.6
287.19940	1.0
305.21100	100.0
306.21582	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	11.6
56.96304	6.2
56.96563	100.0
57.03429	22.6
61.02908	13.0
69.03431	23.9
70.02946	8.4
70.98108	22.9
71.73400	6.4
72.08134	5.0
73.02899	12.9
81.03408	5.3
84.08125	9.6
85.02898	45.1
87.04433	5.9
88.99141	15.5
97.02866	20.6
98.97575	91.0
101.00862	20.4
103.02406	6.8
105.02190	5.0
107.00137	5.1
110.97508	6.2
113.03484	42.5
115.02496	5.7
115.03918	8.4
116.98615	59.0
119.01926	51.1
123.05528	9.3
124.95444	8.1
127.03899	10.8
128.98595	6.3
129.10237	5.1
131.00145	7.5
131.01897	29.7
131.03577	5.2
133.03445	19.1
133.04932	14.9
134.99651	30.9
135.03235	7.8
141.06586	6.7
142.96495	20.7
143.01874	27.0
144.98044	9.0
144.99837	10.0
145.03442	17.8
145.04965	6.0
146.99586	21.3
147.05052	8.8
149.06662	7.0
151.02699	5.3
155.01868	18.7
157.03424	11.2
158.99715	9.5
160.97569	15.2
161.01257	8.7
161.02939	35.6
161.04181	5.0
161.04695	4.9
161.06613	5.7
163.02698	5.3
165.00728	14.3
166.56958	6.2
167.01964	4.8
170.96025	7.9
172.97591	9.9
173.02936	36.1
174.99142	13.1
177.00706	16.5
177.02348	9.0
177.06001	5.5
184.97595	8.8
185.02867	24.6
186.99063	5.3
187.00739	5.5
188.97070	31.8
189.00710	10.7
189.02208	6.9
189.03688	8.2
190.98611	34.2
191.00139	5.4
191.02255	7.3
193.00139	17.3
193.19043	4.8
195.01805	5.5
197.02913	16.4
201.00679	10.1
202.98653	15.7
203.03978	19.1
203.05730	6.8
203.07628	6.5
205.00203	19.1
206.98132	24.0
207.01775	9.9
213.03542	40.9
214.03609	6.1
215.03888	6.0
215.07588	9.2
220.99632	18.6
221.05116	10.4
223.01175	9.8
225.03497	6.4
230.98116	23.1
231.04544	8.1
232.99580	14.6
235.01242	5.2
237.02844	7.4
244.99530	8.5
245.05098	56.7
246.05244	5.0
248.99159	9.7
255.04655	24.8
256.04620	5.4
259.09464	4.9
263.00745	18.0
273.04642	7.6
273.10950	5.2
281.01837	16.0
287.15689	7.2
305.06271	39.9
305.10938	23.3
323.06363	5.8
327.06674	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38448	11.0
53.32500	10.5
54.18528	10.7
70.11253	77.0
87.07042	16.0
94.00953	14.2
98.20671	21.8
98.27950	12.8
101.00885	29.9
107.66049	14.6
115.25810	12.5
119.01909	74.4
126.71567	12.6
131.01907	29.1
139.49054	13.3
143.01907	42.4
145.03467	26.2
155.01874	42.8
157.03426	15.6
161.02943	70.6
173.02962	100.0
185.02904	54.0
203.03893	16.3
209.14703	15.6
213.03546	15.3
245.05128	59.1
305.06104	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.8
56.96560	100.0
57.03418	5.8
58.49200	1.3
61.02903	2.1
69.03408	5.5
69.64396	11.9
70.98113	23.7
71.01302	1.8
71.95242	5.1
72.08137	2.1
72.96036	1.8
73.02894	4.3
74.97600	3.0
84.08125	2.7
84.10191	1.4
84.96017	3.9
85.02901	13.7
87.04443	1.5
88.99149	9.8
97.02885	5.1
98.20694	3.0
98.97569	79.8
101.00881	5.2
107.00166	3.1
110.97551	4.1
112.99116	2.9
113.03465	13.0
115.03921	3.5
116.98610	59.7
119.01897	12.7
124.95461	8.8
127.03890	3.5
128.98560	7.8
130.61197	1.7
131.00134	6.7
131.01862	5.4
133.01682	6.5
133.03459	4.1
133.04964	3.9
134.99648	34.9
135.03146	3.0
136.06120	2.7
137.02945	2.9
140.00174	3.5
140.98566	4.3
141.06561	2.7
142.96536	13.5
143.00148	6.4
143.01883	6.2
144.98038	3.3
145.01694	2.9
145.03447	5.0
146.99629	15.1
147.01320	2.2
149.01213	3.3
153.00676	5.3
155.01863	3.7
156.98064	1.9
157.03459	2.0
158.99628	11.1
160.45277	1.8
160.97572	12.1
161.01324	8.5
161.02899	9.7
162.99142	3.8
163.02805	1.7
165.00697	9.8
170.95988	5.7
170.99751	2.1
172.97597	10.1
173.01256	3.7
173.02930	10.0
174.99135	13.6
177.00716	10.9
178.98640	2.1
179.02164	2.8
183.04997	2.1
184.97562	7.9
185.01340	2.1
185.02881	8.4
186.99161	3.7
188.97035	34.0
189.00679	9.4
189.03658	2.8
190.98596	27.9
191.02342	7.5
191.03893	2.8
192.05618	3.3
193.00189	19.2
201.00726	7.2
202.98640	19.7
203.02176	5.1
203.03999	6.1
203.07632	2.0
205.00177	17.2
206.98134	19.7
207.01703	10.2
208.99730	8.0
211.01251	3.5
212.97043	3.5
213.03604	12.2
214.98515	8.5
215.07767	2.7
217.00171	5.9
219.01768	5.5
220.99677	18.9
221.05084	4.6
223.01274	8.4
224.99228	2.3
225.03485	2.7
230.98090	27.6
231.04633	3.2
232.99655	18.5
235.01318	7.1
237.02786	3.6
239.00705	4.4
244.99626	6.4
245.05078	14.5
248.99210	15.5
251.00690	2.2
255.04597	3.9
263.00720	21.9
281.01709	23.3
285.05579	2.1
305.02188	2.4
305.06055	6.4
305.10663	9.5
323.02740	3.3
323.06396	4.0
327.06708	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2268
Annotation	Samandarone
Peak:m/z	Relative Intensity
54.12774	1.0
55.05489	1.8
56.80013	1.0
56.96564	1.4
67.05499	5.8
69.03416	2.8
69.07073	6.8
70.06581	9.7
71.74324	1.1
79.05472	4.6
81.07050	7.5
83.08599	1.1
84.04493	1.8
84.08113	1.5
86.06046	2.4
87.04468	13.5
91.05469	4.5
93.07045	4.8
95.08604	10.9
96.08116	2.7
98.06046	11.3
105.06321	1.9
105.07021	31.8
106.07266	1.1
107.08566	4.7
109.10129	3.5
112.07591	9.3
116.07051	5.4
117.06991	3.1
119.08566	14.7
120.08090	1.1
121.10104	3.6
123.11708	1.4
123.66927	1.1
124.07577	1.2
130.08641	3.0
131.08537	7.1
133.06427	1.1
133.10120	10.2
135.11664	1.5
138.09068	4.7
143.08507	1.0
145.10098	14.0
147.11679	5.9
156.10243	4.8
158.58673	1.0
159.11638	6.2
162.12715	1.3
171.11714	1.3
173.13264	1.9
175.14850	8.9
180.10162	1.4
182.11836	1.1
186.14006	1.2
201.16400	7.9
207.02966	1.0
218.18930	1.2
219.17485	1.6
224.08032	2.1
235.15665	2.1
248.16455	3.7
262.18130	2.4
274.17911	5.8
289.20337	2.9
304.05222	3.6
304.22693	100.0
305.23129	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32627	13.0
56.96552	69.6
57.03409	12.8
58.67967	11.1
61.02907	12.2
67.05489	10.5
69.03419	24.1
70.06568	32.2
71.15686	28.2
73.02932	12.1
84.04486	19.0
84.08127	50.0
85.02891	33.3
86.09683	30.7
95.08576	20.7
97.02865	14.3
97.05233	12.9
98.97597	63.6
101.80770	11.5
110.07149	18.5
110.97538	14.7
116.98605	50.2
119.01886	27.9
119.36901	13.7
124.05068	12.4
128.98586	41.5
129.10193	28.7
134.99669	30.0
137.02936	14.9
146.99617	41.9
157.25221	12.8
158.99698	17.1
159.03238	31.9
161.02904	12.9
170.99719	19.7
173.01198	13.9
177.00668	18.6
177.04332	50.4
180.91376	13.8
184.67899	13.1
189.00789	20.8
200.98199	11.2
201.04311	14.4
201.06107	28.5
218.99544	10.8
219.01752	38.4
219.40158	12.9
221.79102	11.1
237.02734	100.0
257.22556	14.2
303.07794	92.5
303.13998	15.0
303.17700	14.1
321.08490	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
56.96545	0.9
59.23730	0.6
65.25241	0.6
70.06580	1.7
71.74306	0.9
72.08138	1.0
77.70462	0.6
79.05487	0.8
81.03377	0.6
81.07035	1.4
84.04507	0.7
84.08085	0.8
91.05435	1.0
93.07040	0.9
95.04932	1.1
95.08591	1.8
97.06502	0.9
105.07014	0.8
107.08582	0.7
109.02885	0.6
109.10136	0.6
116.07047	0.7
119.08553	0.8
120.08133	0.7
133.10106	0.7
137.02341	1.2
137.05879	0.7
142.19485	0.6
145.10143	0.8
147.04292	0.9
153.01845	1.6
158.83904	0.6
165.01842	1.0
180.10046	0.7
201.05450	0.9
213.09740	1.0
229.04942	2.0
234.98972	0.9
243.11147	1.3
257.04520	2.2
257.12750	0.7
262.88940	0.6
267.11179	0.8
285.12222	1.6
303.04996	16.5
303.14096	100.0
304.05203	1.5
304.14343	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.9
56.05006	0.5
57.07065	0.9
65.03927	1.2
67.05494	1.2
69.07076	2.4
70.43769	1.4
74.06074	1.0
77.35945	0.4
79.05473	1.8
81.07036	1.9
88.07605	1.7
91.05468	1.6
92.04980	0.7
93.03389	1.7
93.07020	2.0
95.04913	0.7
95.08578	1.5
97.06497	1.4
98.20803	0.5
105.07003	1.0
107.04906	1.0
107.08584	1.9
108.05954	0.5
109.05244	0.9
109.06504	1.2
109.10148	1.1
110.03649	5.9
111.04434	3.3
117.07046	0.5
119.08553	0.5
120.04451	0.8
121.10065	0.5
124.07581	0.9
125.05090	0.9
125.05974	12.6
125.09676	0.7
133.10101	0.6
135.11661	1.3
137.04704	4.8
137.05969	2.8
149.09607	0.4
152.07045	100.0
153.07445	1.3
177.09082	0.6
222.53944	0.6
256.26340	1.3
285.45746	0.4
287.16553	0.6
304.15887	0.6
304.18945	2.9
304.26315	4.9
304.28906	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00666	17.1
61.02926	38.9
70.77499	68.3
71.94174	18.2
72.48960	19.8
73.02879	26.6
75.00778	16.3
85.02898	60.3
97.02847	35.9
98.97575	63.6
110.00380	17.3
127.03892	36.6
127.32385	19.5
149.70250	19.2
183.84341	19.8
201.05750	18.5
204.02890	32.0
213.03427	23.4
300.41806	18.9
303.08456	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03920	0.3
54.51088	0.2
55.01844	0.3
55.05500	0.5
56.05026	0.3
57.03426	0.2
65.03951	0.9
67.01843	0.4
67.05485	0.8
68.99783	2.3
69.03399	0.3
69.07038	0.2
76.50265	0.2
79.05471	0.5
79.55014	0.2
81.03410	1.0
81.07021	0.6
84.04494	0.5
91.05466	0.7
92.02585	0.4
93.02904	0.2
93.03396	0.8
93.07038	0.4
95.04969	1.0
95.08595	0.6
97.02878	0.3
100.11237	0.6
102.05529	0.5
103.05418	0.3
104.05306	0.3
105.03359	0.3
105.06998	0.5
107.08562	0.5
109.02871	0.9
109.10143	0.3
111.00796	2.0
111.04455	0.3
115.05449	0.2
117.06969	0.4
119.04918	0.3
119.08533	0.4
121.02853	2.4
121.06484	0.2
123.04402	0.7
123.11655	0.2
127.03949	0.4
129.07021	0.2
131.04913	0.7
131.08551	0.3
133.02838	0.4
133.06451	0.2
133.10138	0.3
135.04402	0.5
135.08023	0.4
137.02332	7.5
137.03334	0.4
137.05980	0.2
138.05516	0.4
143.04953	0.3
145.02795	0.2
145.06493	1.0
145.10109	0.5
146.06319	0.3
147.04373	0.2
149.02322	0.8
149.05928	0.3
149.09698	0.2
151.03929	1.2
151.07547	0.2
153.01814	11.4
154.02150	1.4
155.04907	1.3
155.08455	0.3
157.06506	0.3
161.05980	0.6
163.03909	1.5
163.07477	0.3
165.01823	3.9
165.06981	0.4
166.02570	0.6
166.05006	0.5
168.05820	0.2
173.02444	0.2
173.05957	1.6
173.13243	0.2
175.15016	0.2
177.01825	0.3
177.05426	0.3
178.69241	0.2
179.03403	0.4
183.02849	1.5
183.04424	1.1
183.06123	0.1
183.08029	0.3
184.50494	0.2
187.03873	1.2
191.03407	0.4
191.07010	0.2
195.02892	0.5
199.02200	0.3
201.05450	4.3
203.03166	0.2
204.03761	0.3
205.04901	0.6
211.03871	0.3
211.07381	0.4
213.05414	0.5
214.04636	0.6
217.05063	0.2
218.05318	0.6
219.02846	0.4
219.06351	0.6
228.04146	0.8
229.04938	9.6
230.05280	0.8
233.04547	0.2
239.03477	0.5
245.04468	0.6
246.04803	0.6
247.05940	1.3
257.04419	4.7
258.05038	0.5
260.03064	0.4
271.09628	0.7
272.11447	0.3
274.04596	1.7
275.05173	1.3
275.13678	0.2
285.03946	2.0
285.12244	0.7
286.04254	0.6
303.04947	100.0
304.05270	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.68462	0.2
53.03922	0.3
55.01857	0.6
61.33281	0.2
64.94173	0.2
65.03914	0.6
67.01845	0.5
67.05473	0.3
68.99786	3.0
69.03411	0.4
69.73423	1.5
76.82457	0.2
81.03406	0.9
90.34936	0.2
91.05462	0.3
93.03394	0.9
95.04959	1.3
98.21418	0.3
107.04953	0.2
109.02868	1.6
111.00089	0.2
111.00796	2.5
115.05464	0.2
117.06985	0.5
121.02843	2.8
123.04393	0.7
127.03893	0.7
131.04868	0.6
133.02809	0.3
133.06526	0.3
135.04402	0.6
137.02330	9.7
145.05479	0.2
145.06476	1.1
149.02347	1.0
150.52782	0.2
153.01811	13.7
154.02170	0.3
155.04918	1.1
155.05977	0.2
157.06468	0.2
159.04372	0.5
161.05952	0.9
163.03889	1.3
165.01820	5.1
166.02586	0.7
171.02820	0.3
173.05974	2.0
177.01816	0.4
177.05444	0.4
179.03380	0.4
183.02864	1.7
183.04416	1.5
187.03885	1.2
191.03455	0.4
191.07028	0.3
195.02885	0.7
201.05455	6.1
203.61453	0.2
205.04964	0.6
207.02812	0.4
211.03903	0.7
213.05461	0.3
215.03348	0.5
218.71718	0.2
219.02838	0.2
219.06557	0.6
228.04143	0.8
229.04938	12.7
230.05341	0.5
232.03609	0.3
239.03354	0.7
245.04292	0.3
246.05005	0.3
247.06003	1.7
257.04416	6.6
258.04843	0.2
274.04700	1.8
275.05438	0.5
285.03897	2.6
303.04959	100.0
304.05292	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01850	0.4
57.07021	0.1
57.10778	0.2
65.03928	0.7
67.01845	0.5
67.05489	0.4
68.99437	0.3
68.99777	2.6
69.03414	0.3
69.07032	0.2
69.82735	1.1
70.06587	0.2
71.01359	0.1
79.05510	0.2
79.17736	0.2
81.03420	0.9
81.07025	0.4
84.08134	0.2
86.09663	0.5
91.05461	0.5
93.03391	0.5
95.01363	0.2
95.04954	1.1
95.08562	0.3
95.27957	0.2
103.05444	0.3
105.03370	0.2
105.06980	0.3
107.04907	0.4
109.02871	1.7
111.00801	2.1
115.05448	0.4
117.07008	0.6
121.02850	2.8
123.04404	0.8
127.03905	0.5
129.07045	0.2
131.04939	0.3
133.02792	0.2
135.04402	0.6
135.35822	0.2
136.07541	0.2
137.02333	8.8
137.03400	0.5
137.05928	0.2
138.02589	0.2
145.02795	0.2
145.06467	1.0
149.02371	0.9
150.05487	0.2
153.01813	11.8
155.04921	1.4
157.06435	0.2
158.09775	0.2
159.04417	0.5
161.05954	0.8
163.03903	1.5
163.07512	0.2
165.01828	4.1
166.02599	0.6
173.02249	0.2
173.05959	1.6
177.05409	0.2
179.03339	0.4
183.02850	1.8
183.04427	1.1
184.05182	0.2
187.03876	1.1
191.03305	0.5
191.06950	0.2
195.02901	0.5
201.05438	5.1
205.04915	0.5
207.02884	0.3
211.03917	0.3
213.05301	0.2
215.03275	0.3
219.02948	0.4
219.06523	0.6
225.35948	0.2
228.04187	0.8
229.04936	10.5
230.05270	0.3
239.03488	0.4
243.11214	0.5
245.04388	0.2
247.06055	1.5
257.04419	5.4
274.04700	1.5
275.05301	0.5
285.03952	2.5
285.12430	0.2
286.04233	0.2
303.04959	100.0
304.02127	0.3
304.05307	4.0
315.69299	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90653	1.8
73.96064	0.6
75.40733	0.7
82.55470	0.6
98.97565	1.6
101.00874	1.2
116.98600	1.6
119.01905	10.0
120.01889	0.8
127.30489	0.7
132.81985	0.7
134.99748	1.2
137.02927	2.6
153.00867	0.9
177.00943	23.2
178.01027	4.3
179.00690	2.7
195.02022	0.6
200.02545	0.8
201.00964	2.4
217.04156	2.6
218.03741	1.9
219.01987	52.8
220.02080	5.9
221.01773	5.3
222.01894	1.1
223.01569	1.2
225.00967	2.3
226.01031	0.8
234.99847	1.0
238.95593	1.0
242.03447	1.9
243.01924	8.6
244.02167	1.8
256.96609	10.4
257.96826	0.8
261.03040	100.0
262.03201	28.6
263.02856	5.2
266.03674	0.7
274.94897	0.6
274.97565	4.1
275.97699	0.7
279.98242	6.1
281.39056	0.7
284.04623	4.2
285.04776	2.6
288.95544	1.4
289.45743	0.9
297.95996	0.7
297.99298	1.3
298.97623	5.8
303.00784	1.4
303.05466	6.4
318.96603	0.9
321.99176	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1497
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
51.94017	1.0
55.01860	1.9
57.31887	1.1
61.85672	1.2
67.05489	1.8
68.05052	1.3
68.99801	1.2
69.07044	1.7
70.06208	2.3
70.06585	42.1
70.30534	1.8
70.30893	5.0
72.08142	4.3
74.20975	1.0
79.05485	1.7
81.03384	1.5
81.07049	1.6
81.46092	1.1
81.57332	1.2
84.04501	1.7
84.08141	6.6
85.08458	1.0
86.09692	9.8
91.05482	2.3
92.05787	1.7
95.05005	1.7
95.08628	1.3
98.06069	1.4
101.46248	1.0
105.07025	1.1
114.05513	19.7
115.05424	3.1
116.07080	22.3
117.05724	3.5
121.10101	1.6
125.07113	6.6
129.10197	2.7
130.06502	21.7
132.08075	50.6
136.07523	1.5
137.02325	1.4
142.06488	7.2
144.08083	14.6
153.01842	2.5
159.09163	100.0
160.07567	5.7
160.09479	2.3
170.05992	25.1
171.07616	5.0
172.07562	4.3
188.07050	1.0
210.12045	1.1
219.48949	1.3
229.04863	1.6
257.12817	3.1
285.12323	56.0
286.12805	1.7
302.14871	4.7
303.04947	17.7
303.13287	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.8
70.28076	2.6
98.97562	1.9
101.00898	1.0
116.98589	1.8
119.01898	6.3
134.99638	1.1
137.02939	2.4
177.00940	14.2
178.01102	3.0
179.00722	3.4
201.00861	1.7
217.04041	2.6
218.03548	1.2
219.01978	24.5
219.04112	1.2
220.02106	9.6
221.01778	12.2
225.00964	1.4
234.99734	0.9
242.03691	1.0
243.01927	7.7
254.96870	0.8
259.00421	0.8
260.04956	3.0
261.03033	100.0
262.03204	7.0
263.02902	0.7
277.00931	1.0
278.04016	1.3
279.00433	1.3
284.00043	1.6
284.04703	4.8
284.99664	0.9
296.97678	1.1
301.01080	1.4
302.01089	2.8
302.05969	10.6
303.00790	1.4
303.05444	1.8
320.05090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2159
Annotation	20,14-retro-retinoic acid
Peak:m/z	Relative Intensity
55.01859	2.5
55.05504	8.1
57.07067	10.3
61.53168	1.6
67.05499	15.9
69.03402	2.4
69.07059	9.4
70.06602	12.7
70.15151	6.6
71.04975	2.1
71.08617	2.9
79.05474	9.1
81.07048	14.9
83.04966	4.3
83.08615	4.9
88.07611	14.6
91.05473	15.3
93.07033	19.5
95.04969	8.0
95.08601	21.7
97.06517	4.2
97.10168	2.1
102.09159	3.7
105.07023	24.1
106.08675	6.2
107.04933	2.0
107.08582	21.7
109.06496	18.4
109.10153	17.3
109.60456	1.6
111.08092	3.2
115.05508	1.7
117.06984	7.2
119.08581	27.6
121.06455	4.1
121.10124	15.1
123.08075	2.7
123.11710	3.5
128.06209	2.5
128.61372	1.7
129.06985	5.1
131.08562	27.0
133.10104	23.5
135.08066	13.7
135.11699	9.1
137.09648	3.2
139.11063	1.7
142.07806	2.9
143.08559	13.6
144.09323	3.3
145.10130	23.3
146.07256	2.2
147.08087	3.4
147.11694	7.0
149.13220	5.0
155.08614	2.6
156.09323	3.4
157.10103	10.4
158.10887	7.3
159.08058	3.3
159.11705	10.2
161.09612	26.2
161.13161	2.5
167.08673	2.2
169.10136	3.9
171.11702	6.0
173.09674	2.5
173.13246	44.0
175.11301	3.5
175.14830	7.5
175.44994	1.6
179.08566	3.1
181.10045	3.3
183.11653	5.6
185.13295	6.9
187.14839	2.2
189.12834	2.2
191.14317	11.3
194.10805	2.1
199.14841	5.4
201.12700	2.5
201.16330	2.8
209.13303	5.6
213.12729	4.2
213.16313	3.6
217.15761	1.9
221.15408	1.8
223.14861	3.4
226.95432	1.8
227.14365	2.4
245.15498	2.4
255.20879	2.4
258.05206	3.2
265.19495	4.6
283.20450	9.2
283.27744	2.4
284.29483	5.0
286.04648	4.6
301.07068	9.8
301.18283	2.3
301.21591	29.6
302.30511	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.6
55.01863	22.9
55.05507	27.3
57.03433	44.1
57.07065	2.6
59.67449	3.0
60.12307	3.0
65.03927	8.9
67.05499	99.3
67.21168	3.3
69.07067	18.6
70.32188	13.2
71.01343	4.4
71.04981	11.9
79.05484	93.9
81.03386	15.3
81.07048	65.7
83.04967	39.0
83.08601	9.1
84.08139	3.2
85.02893	8.0
85.06538	10.5
91.05463	51.1
93.07034	100.0
95.04939	29.4
95.08584	38.3
97.02880	5.3
97.06518	32.3
97.57784	3.4
99.04445	8.5
105.07037	20.8
107.04934	63.4
107.08572	43.8
109.06559	4.2
109.10142	13.9
111.04429	64.6
111.08047	14.8
111.78101	2.9
117.06985	29.7
119.08554	29.4
121.06452	7.7
121.10122	77.1
123.08040	9.7
125.05965	5.9
128.06349	3.1
129.05476	3.8
129.07007	8.8
130.07848	4.7
131.04895	9.6
131.08557	25.3
133.10144	5.6
135.08041	5.0
135.11674	63.5
145.06474	10.2
145.10101	65.3
145.11197	4.8
147.08080	5.6
149.09598	18.6
153.12708	25.1
155.08559	11.4
163.11160	95.9
173.09599	47.2
181.12186	39.2
191.10648	50.8
209.11728	32.6
217.04991	11.4
217.94551	2.9
224.61705	3.3
227.12784	22.2
245.04393	7.7
255.11249	8.2
258.05179	4.1
265.14288	4.8
273.03961	12.6
283.15430	23.8
286.04636	6.8
301.03387	24.7
301.07028	18.9
301.11102	6.2
301.16415	87.1
301.21567	6.8
302.16879	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.2
55.01858	19.4
55.05503	32.4
57.03432	45.2
57.07062	2.7
58.66711	2.6
60.66310	2.3
65.03922	6.9
67.05131	5.0
67.05493	93.1
69.03398	8.0
69.07060	27.2
70.06571	7.9
71.01349	2.9
71.04977	13.4
71.47480	2.1
71.47891	7.8
72.08122	4.6
72.93787	2.6
73.02898	3.7
79.05483	100.0
81.03406	15.7
81.07046	72.2
83.04969	38.9
83.08614	18.9
84.08109	5.1
85.02887	9.0
85.06509	10.0
86.09679	10.8
91.05464	51.9
93.07029	93.8
95.04948	29.0
95.08585	38.2
97.02881	11.1
97.06524	25.7
97.10152	6.6
98.06023	6.2
99.04438	6.5
103.03961	4.3
103.05428	4.2
105.07008	24.3
107.04218	4.7
107.04929	43.6
107.08572	50.8
109.02876	3.7
109.06486	8.6
109.10160	14.9
111.04432	54.6
111.08046	10.1
113.06018	2.8
117.07002	23.9
119.04956	3.2
119.08559	30.9
121.06474	11.9
121.10123	82.9
123.04414	3.6
123.08059	7.9
123.11684	4.6
125.05959	7.4
125.09568	6.4
129.05467	8.5
129.06998	17.2
130.06418	2.6
130.07747	2.7
131.04881	7.4
131.08546	22.6
133.06421	3.2
133.10107	13.0
135.08028	8.2
135.11667	61.1
137.05940	2.8
137.09572	3.8
139.11140	10.8
143.07211	5.2
143.08461	3.2
144.06522	7.4
144.72375	2.9
145.06468	8.7
145.10115	56.4
147.08047	6.1
147.11693	5.6
149.05952	8.5
149.09631	16.0
151.11111	3.1
153.12706	13.6
154.06544	12.1
155.08560	12.5
156.08055	9.5
158.09621	28.9
163.11169	69.4
165.09111	3.9
167.10620	5.6
168.08072	22.0
173.09595	33.0
177.05421	6.0
181.06451	4.3
181.12181	33.8
191.10629	43.4
203.12714	4.2
209.11697	73.5
214.08614	12.0
224.56264	3.1
225.23970	2.7
227.12743	33.6
241.14285	6.1
245.13623	4.0
265.14420	3.1
273.14749	3.2
283.15369	42.3
301.03497	3.2
301.07010	11.7
301.11417	9.7
301.16425	77.2
301.21625	8.6
314.42850	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0703
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
54.47110	0.4
55.01869	0.6
55.05490	1.4
57.03419	1.2
63.24995	0.4
67.05495	3.2
68.99781	0.4
69.03419	0.4
69.07051	1.9
71.01324	0.4
71.74579	0.7
79.05488	2.4
81.03428	0.6
81.06653	0.4
81.07057	3.5
83.04955	0.7
83.08601	1.0
85.02896	0.6
85.06491	0.7
91.05460	1.6
93.07034	3.6
95.04969	0.9
95.08584	3.3
97.06508	3.0
97.10137	0.8
99.00796	0.7
105.06998	2.6
107.08558	2.8
109.10161	3.3
111.04372	0.9
112.01573	0.6
117.07008	0.6
119.04910	0.8
119.08585	3.0
121.02864	1.2
121.06492	0.5
121.10099	2.7
125.06047	0.5
125.09608	0.9
127.00213	0.5
129.05533	0.8
129.06998	0.9
131.04825	0.5
131.08545	1.5
133.10094	2.3
135.08014	0.5
135.11690	1.0
137.02296	0.5
142.07779	0.5
143.08546	1.0
145.06441	0.5
145.10081	2.3
147.08018	0.6
147.11662	1.2
149.13283	0.4
153.01816	1.2
157.10136	0.9
159.08063	0.4
159.11684	1.9
161.05930	0.7
161.09607	0.5
163.11197	0.8
165.09097	0.5
168.00531	3.6
171.11691	0.9
173.09682	0.5
173.13216	0.9
175.07593	0.9
175.11224	0.6
185.13162	0.5
186.01595	4.3
187.07825	0.5
187.14816	0.6
189.12823	0.6
191.10635	1.1
199.14767	0.7
201.16238	0.5
203.07214	0.5
205.08614	0.7
205.12309	0.6
219.13806	0.6
227.14372	0.6
229.04907	2.5
241.12177	0.7
255.21088	0.7
257.04425	0.9
257.11621	0.6
258.05206	35.9
259.05603	1.0
269.04227	0.6
283.17044	0.6
283.20557	1.3
286.04681	68.3
287.04965	2.1
301.07028	100.0
301.21423	5.5
302.07297	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.7
55.01870	6.3
56.05048	4.7
56.96562	23.7
57.03417	14.2
58.99856	4.1
61.02925	22.7
69.03424	21.1
69.77449	16.0
69.77859	9.7
70.06576	14.4
70.31731	3.5
72.08136	8.2
73.02909	18.5
75.04475	4.2
79.05458	4.9
81.03385	10.5
84.04500	5.7
84.08146	12.2
85.02898	54.8
85.35551	3.7
86.09720	7.0
88.04034	4.2
91.05467	21.2
93.05798	6.6
94.06564	9.8
97.02885	27.1
98.20737	5.2
98.97580	7.0
101.00885	5.1
103.03932	18.0
106.06563	5.8
109.02869	7.6
109.38931	3.7
112.06206	7.2
112.07600	4.5
113.04606	12.3
114.05511	6.6
114.06250	4.4
116.98605	8.9
117.05747	8.5
118.06535	100.0
119.01926	22.1
120.04446	18.2
120.08089	12.5
121.06498	5.8
123.62647	4.8
125.04612	10.1
127.03917	13.0
130.06461	4.0
131.01871	10.6
132.08083	7.4
133.03419	10.4
135.06810	7.0
136.06154	40.1
136.07597	8.5
137.05948	10.7
138.05484	60.0
138.09132	19.9
140.05634	23.0
144.04449	25.1
145.03484	5.5
145.04909	7.3
146.05968	4.8
147.01389	4.9
148.03903	10.8
149.00540	11.2
150.05467	67.6
150.06569	5.0
151.04826	7.8
152.05693	7.7
160.07527	6.0
161.02933	5.1
162.05482	83.6
168.05174	74.4
169.03430	4.1
171.01321	6.8
174.03120	4.1
174.05513	13.4
174.98563	6.5
175.00903	6.5
176.07611	9.6
177.00769	5.8
177.05864	4.8
177.07800	5.4
178.00911	9.4
180.05019	6.6
180.06541	56.9
181.03192	5.0
186.05571	6.8
188.07558	5.4
189.02444	14.0
193.00333	6.3
193.03210	77.3
196.06908	5.0
198.98523	34.2
204.06520	24.7
211.04424	4.6
216.06581	15.8
216.99579	15.1
217.01947	15.2
218.65474	4.3
219.01794	4.9
219.03549	5.6
228.06604	6.2
228.99567	7.5
231.03659	6.5
235.03029	11.2
237.03049	4.2
246.07594	29.5
259.03064	7.2
262.04486	4.8
264.08575	19.6
275.99353	6.7
277.04080	7.5
282.09753	11.8
300.06335	9.5
300.10068	16.8
300.14029	6.2
301.01761	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2002
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.01870	2.3
55.05507	12.2
57.07059	5.2
59.04985	2.3
65.03954	1.9
67.05493	12.4
69.03413	9.1
69.07060	8.2
70.48889	4.6
71.04973	3.1
79.05487	10.5
81.07052	19.7
83.01355	2.5
83.04969	4.3
83.08614	9.0
84.01706	1.2
85.06535	3.2
86.06029	2.0
91.05479	19.0
93.07034	17.3
95.04960	40.2
95.08594	12.3
97.06503	8.1
97.10146	1.8
98.21308	1.6
103.05418	2.9
105.07021	31.2
107.04955	1.5
107.08582	23.7
109.06503	20.1
109.10152	7.9
111.04466	1.6
111.08040	1.8
113.09621	2.8
115.05414	2.1
116.10710	2.1
117.07017	14.3
119.08571	57.3
120.08854	1.3
121.06511	8.5
121.10134	11.5
123.04405	1.8
123.08089	3.6
123.11675	2.8
125.09593	3.2
128.06216	5.8
129.07001	6.4
130.07771	5.4
130.48494	1.2
131.08548	14.9
133.06506	2.3
133.10121	16.8
135.08047	18.6
135.11658	5.9
137.09590	8.2
139.11223	2.0
141.06941	4.1
142.07748	5.7
143.08562	20.8
144.09349	1.4
145.10104	57.6
146.10442	2.7
147.04477	1.8
147.08012	3.1
147.11653	5.3
149.09598	4.6
151.07484	1.6
151.11148	1.6
153.05457	1.4
153.06978	2.3
155.08534	10.6
156.09349	8.0
156.57359	1.6
157.10098	18.1
158.07245	9.6
158.10703	1.9
159.08066	7.1
159.11655	12.7
161.09650	8.5
161.13206	3.1
163.11218	6.2
167.03415	2.1
167.08568	3.2
168.09248	1.5
169.10074	10.1
170.10887	4.0
171.08040	1.7
171.11665	12.4
173.09613	17.0
173.13252	10.8
174.10332	1.3
175.11159	3.6
175.14873	1.4
177.09119	2.3
179.10634	1.9
180.09363	1.5
181.01289	1.9
181.10117	7.4
182.10876	3.6
183.11678	9.5
184.08742	1.8
184.12276	1.4
185.09634	2.5
185.13232	5.8
187.11180	4.8
187.14839	3.9
189.12704	5.2
191.14230	1.8
193.10095	5.4
194.10852	2.4
195.06508	15.8
195.11671	7.4
196.12392	2.8
197.09604	2.8
197.13242	14.9
199.11095	7.1
199.14789	10.2
200.11897	1.5
201.12718	4.1
203.14352	1.5
207.11679	5.4
208.12376	3.6
209.13235	2.9
210.10286	2.6
211.11311	2.5
211.14786	5.0
213.07590	4.7
213.12718	5.3
213.16257	2.3
215.14296	7.7
217.15849	3.3
221.13281	2.3
223.14792	8.0
224.15495	1.8
225.12785	7.5
225.16252	1.8
226.13300	1.5
233.13252	1.5
237.16348	1.3
239.14314	2.8
239.17929	3.3
240.15227	1.9
241.15854	10.3
243.13745	6.5
248.15645	2.3
253.19455	6.3
257.19009	13.6
263.17844	2.7
266.16806	1.6
269.15448	2.0
271.20486	2.4
281.18967	22.0
284.17697	1.4
299.05701	7.2
299.12814	8.1
299.20020	100.0
300.21027	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2003
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03933	0.7
55.01857	1.2
55.05497	2.6
57.03424	0.9
57.07055	1.4
67.05499	4.4
69.03416	2.1
69.07063	3.8
69.40798	6.9
70.70241	0.6
79.05482	5.9
81.07050	7.7
83.01329	1.0
83.04976	2.4
83.08621	3.6
91.05469	26.4
91.06035	1.6
92.76517	0.7
93.06537	0.9
93.07045	5.9
95.04952	2.4
95.08597	7.4
97.06518	2.2
103.05468	1.7
105.07019	18.1
107.04938	1.2
107.08585	8.3
109.06514	2.7
109.10153	1.6
111.04431	1.0
115.05457	2.1
116.06234	6.9
117.07012	2.6
119.04932	8.1
119.08568	15.8
121.06486	1.9
121.10131	8.2
123.08051	2.4
123.11683	0.9
125.09626	2.9
127.07568	1.1
128.06171	1.5
129.07005	8.7
130.07764	0.7
131.08548	41.2
133.06424	1.2
133.10143	4.4
135.08052	2.4
135.11671	1.4
138.78435	0.6
141.06993	1.1
142.07773	2.2
143.08566	4.1
145.06406	0.9
145.10100	3.9
147.08022	1.0
147.11647	1.5
149.09607	5.7
155.08531	2.6
156.09334	2.8
157.10123	5.8
158.07304	0.7
159.08035	100.0
159.11661	2.1
160.08345	3.6
161.09602	3.9
161.13222	1.5
163.11221	0.9
167.08592	0.7
168.09244	0.8
169.10104	3.2
171.11647	5.6
173.09624	1.1
173.13284	1.4
174.10419	0.8
175.11192	1.4
181.10088	1.6
182.10887	1.6
183.11687	2.1
185.09593	2.1
185.13245	0.9
187.11169	1.2
189.12741	4.1
192.09369	1.5
193.10109	1.8
195.06487	6.3
195.11578	1.5
197.09676	0.8
197.13225	3.6
199.11090	5.3
199.14938	1.2
201.12752	1.8
203.06992	1.3
206.10876	1.4
207.11671	2.1
209.13226	0.9
210.10345	0.8
211.11143	1.9
213.07561	1.8
213.12726	1.9
215.14230	1.5
221.13263	1.3
223.14771	2.2
225.12781	4.3
233.13255	0.7
237.16251	0.9
239.14287	2.8
239.17938	1.5
243.13783	2.6
253.19356	1.0
257.19058	1.8
263.18045	4.0
274.70755	0.7
281.18964	23.0
282.19119	1.4
299.05692	0.8
299.09341	1.2
299.12769	5.8
299.20001	42.5
300.16214	0.6
300.20239	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2002
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
53.03947	0.7
55.05505	2.2
57.07074	0.9
59.56149	0.5
67.05505	3.0
69.03420	1.3
69.07060	2.7
79.05491	4.5
81.07060	3.4
83.04977	1.7
83.08597	3.1
89.30894	0.6
91.05470	25.5
93.07031	5.7
94.54828	0.6
95.04964	1.3
95.08598	6.4
97.06528	2.1
97.10178	0.7
98.10667	0.6
98.21394	1.3
103.05428	0.8
105.07011	15.9
107.08575	7.1
109.06519	1.7
109.10165	1.6
111.08083	0.7
115.05431	2.3
116.06220	8.0
117.07008	2.6
119.04935	7.3
119.08568	15.6
121.06515	1.2
121.10128	6.6
123.08073	1.7
123.11673	0.9
125.09608	3.0
127.07548	0.9
128.06206	1.8
129.06993	7.6
131.08553	41.2
132.08893	0.8
133.06387	0.8
133.10107	2.7
135.08070	1.9
141.07028	0.8
142.07787	2.4
143.08540	3.5
145.06464	1.7
145.10120	4.0
147.08005	1.0
147.11681	1.0
149.09586	4.5
155.08533	1.7
156.09329	2.5
157.10150	4.6
159.08038	100.0
159.11655	2.4
159.17590	0.7
160.08371	2.7
161.09615	2.5
161.13216	1.4
167.08501	1.5
167.10667	0.7
169.10123	2.4
171.11667	5.0
173.09541	1.2
173.13329	0.7
175.11118	0.9
176.11905	0.8
181.10046	1.1
182.10925	0.8
183.11728	2.1
185.09615	0.8
187.11133	0.7
189.12744	3.0
193.10130	1.8
195.06505	5.2
195.11676	1.2
197.13271	4.0
199.11137	5.7
199.14734	1.4
201.09084	1.1
201.12708	1.2
206.10806	1.2
207.11690	2.4
207.13524	0.7
211.11255	1.7
211.14807	1.9
213.07538	0.8
213.12747	1.9
215.14369	1.1
221.13194	2.2
223.14812	1.8
225.12761	4.9
233.13193	1.8
238.13400	0.9
239.14279	1.8
239.17912	0.8
243.13710	1.7
248.15485	1.4
253.19582	1.5
257.19058	2.9
263.17883	2.8
281.18967	21.0
282.19357	1.3
284.06769	0.9
299.05673	1.3
299.09143	2.4
299.12778	4.6
299.20004	42.6
300.20358	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.185
Annotation	15-keto-2,3,4,5-tetranor-PGF2alpha
Peak:m/z	Relative Intensity
53.03934	4.6
55.01859	5.3
55.05511	12.7
57.03426	10.4
57.07057	3.2
57.44704	2.7
58.56032	2.8
63.20410	2.4
66.13538	2.8
67.05499	35.6
69.03412	11.0
69.07061	100.0
71.04967	5.0
71.09612	7.4
73.06546	13.7
79.05486	40.5
81.03415	8.5
81.07052	33.6
83.01331	3.8
83.04959	20.7
83.08627	4.9
85.02877	2.4
91.05479	32.4
91.06040	3.9
93.07035	43.8
95.04949	28.1
95.08601	52.5
97.02898	3.6
97.06522	36.3
97.10135	3.8
99.08009	3.1
100.69360	2.8
105.07019	24.8
107.04955	3.1
107.08591	14.5
109.02025	2.4
109.02843	4.3
109.06507	9.6
109.10147	11.3
111.04461	3.7
111.08087	3.3
115.07543	4.5
117.07001	8.7
119.08586	27.7
121.06515	7.9
121.10133	26.1
123.08063	71.7
125.05981	8.8
125.09628	3.9
127.07555	3.9
129.07002	9.4
131.08553	11.6
133.10106	20.3
135.08054	5.4
135.11710	3.8
137.05966	2.5
137.09586	12.6
137.13219	2.9
141.09103	5.8
143.07025	56.0
143.08514	13.3
145.10109	7.7
147.08018	14.1
147.11670	10.9
149.09630	11.0
151.11130	5.2
157.10081	13.1
159.11700	12.9
161.08081	17.1
161.09621	7.8
161.13312	4.0
161.89290	2.5
165.09067	24.9
169.10065	2.6
171.11630	3.5
173.13232	10.3
175.11197	4.8
175.14804	16.2
183.10173	6.2
189.09100	3.8
189.12697	5.4
189.16348	4.3
195.06541	23.9
197.09607	3.3
199.14822	19.9
201.16360	2.9
203.14253	6.4
213.07640	5.8
217.15846	36.9
227.14249	8.2
245.15369	29.4
256.71921	2.6
263.16397	24.7
281.17389	18.8
299.05527	11.8
299.09283	4.5
299.12439	18.7
299.15720	2.5
299.19888	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	10.9
53.03937	9.1
55.01863	20.2
55.05265	3.4
55.05509	48.6
57.03429	27.3
59.04979	5.9
64.50719	2.6
65.03935	4.5
67.05496	44.1
69.03410	7.3
69.07063	13.6
70.06580	4.8
71.01340	11.6
71.04976	5.2
71.08635	2.5
71.73889	3.3
79.05482	31.2
81.03420	14.4
81.07044	61.9
83.01351	2.9
83.04964	8.7
83.08608	28.2
84.04490	7.3
84.08131	3.0
85.02869	3.0
85.06526	4.9
86.09683	5.6
91.05470	56.8
93.07032	36.0
95.04966	16.5
95.08591	14.5
97.02882	10.4
97.06501	9.3
97.10155	8.0
99.00811	41.6
100.11245	5.2
103.05457	4.2
105.07019	42.4
106.11650	3.0
107.04962	12.9
107.08585	29.3
109.02860	20.9
109.06497	11.9
109.10146	25.6
111.04398	4.2
111.08073	9.2
113.06014	3.4
115.03940	6.0
115.05507	4.0
117.07003	8.7
119.08588	25.0
121.06510	14.6
122.01934	3.1
123.04420	4.1
123.08018	4.9
123.11699	6.5
125.09637	4.3
127.03906	7.8
127.07557	6.2
128.06198	5.1
131.08551	6.3
133.06496	3.7
133.10120	100.0
135.08067	4.9
136.06178	6.8
137.05927	6.9
137.09599	5.0
139.07469	6.9
143.08498	12.1
145.10106	3.9
146.06015	6.3
147.11594	3.3
149.05962	4.5
151.11168	37.9
154.12221	7.6
161.09593	44.9
165.01971	2.5
169.76750	2.4
171.08054	8.5
179.10649	27.5
183.52487	2.4
189.09081	23.1
195.06482	27.9
197.11624	8.9
197.13271	2.9
203.27684	2.5
207.10181	11.6
213.07593	12.2
225.11226	31.1
226.11395	3.0
243.12288	7.2
281.13730	4.8
281.18771	8.7
299.05695	7.4
299.09311	4.4
299.15121	57.9
299.19836	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	18.7
53.03930	8.1
55.01865	11.5
55.05229	3.0
55.05503	55.8
57.03431	37.2
59.04993	9.5
65.03942	2.1
67.05498	37.6
69.03429	9.5
69.07060	6.7
70.90144	4.8
70.90492	2.3
71.01345	8.7
71.04981	6.4
79.05487	31.3
81.03406	20.3
81.07046	46.4
82.39196	1.8
83.04984	8.9
83.08605	33.9
85.06548	5.3
91.05470	60.8
92.05763	1.9
93.07032	41.5
95.04971	16.5
95.08591	14.9
97.02878	14.4
97.06522	7.9
97.10159	3.9
99.00806	71.2
99.04442	2.7
99.08083	2.5
103.05479	6.9
105.07020	55.6
107.04964	17.0
107.08584	18.8
109.02870	35.9
109.06518	13.5
109.10139	18.7
111.04456	6.4
111.08088	8.8
113.06025	2.2
115.03886	10.1
117.07014	9.6
119.08584	23.9
121.06485	20.8
123.04419	5.5
123.08071	3.7
123.11699	7.5
127.03889	13.5
127.07593	2.4
128.06218	4.7
129.05473	1.8
129.07007	5.5
131.04913	2.6
131.08569	5.6
133.06482	5.1
133.10115	100.0
135.08102	5.4
135.11693	4.7
137.05971	6.1
137.09602	3.8
139.07538	9.6
141.05460	2.5
141.09102	2.1
143.08572	13.1
147.04445	2.6
147.08040	3.2
149.02280	3.6
151.11171	32.5
159.08008	2.8
161.09602	58.3
163.11238	2.7
165.01877	2.7
165.09148	2.9
171.08020	15.7
179.10658	38.6
180.11247	2.2
189.01859	2.4
189.09074	42.6
193.12233	2.3
195.06535	12.7
197.11739	17.3
207.10182	11.7
213.07588	2.3
215.03465	3.1
219.10172	3.6
225.11205	38.5
225.13261	3.3
243.12405	5.9
271.02344	2.4
299.01904	8.0
299.05704	9.3
299.09302	3.4
299.14966	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.091
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
50.36809	0.3
55.05466	0.6
57.07033	0.4
57.93060	0.4
61.65110	0.3
67.05443	0.9
69.06999	0.7
71.74043	0.4
74.64260	0.4
78.74507	0.3
79.05429	0.9
81.07024	1.8
83.01285	0.5
83.04884	0.4
91.05402	0.9
93.06963	0.8
95.04904	0.7
95.08512	1.0
97.06445	1.6
105.07019	2.1
107.04868	0.8
107.08543	0.6
109.06449	0.6
109.10117	0.8
111.04369	0.4
119.04881	0.9
119.08484	1.4
121.06447	0.9
121.10078	0.4
123.00697	1.4
124.01477	0.8
125.05888	0.5
127.07496	0.5
128.06139	0.6
129.06921	1.0
131.04869	0.5
131.08510	0.6
132.05666	1.0
133.06497	2.2
133.10027	1.1
134.07179	0.6
135.04442	0.3
137.02205	1.1
141.06946	0.4
143.08524	0.6
145.06415	0.5
145.10039	0.7
151.00188	0.7
152.01028	3.5
153.01770	0.7
155.08427	0.4
157.06454	0.9
157.10020	0.5
161.05933	3.6
161.09599	0.8
168.05711	0.9
169.01256	0.8
169.06442	0.5
169.10023	0.5
170.02101	2.4
172.08740	0.5
175.07455	0.5
181.06403	0.4
182.07256	0.7
183.08032	1.8
184.12408	0.5
185.05898	1.6
187.45360	0.4
195.04782	0.5
195.06509	3.8
196.05101	0.5
197.05919	0.8
197.13235	0.6
200.08310	0.5
201.16333	0.3
203.06963	1.0
211.07567	1.9
213.05386	2.0
213.07555	1.4
224.04594	0.7
227.06989	1.5
228.07791	0.5
238.06230	0.5
239.06998	4.2
240.18596	0.4
241.04907	3.9
243.10109	2.5
252.04076	0.9
253.04988	2.2
255.06512	2.0
256.07269	7.2
269.04404	2.3
284.06760	70.6
285.07086	1.9
299.09119	100.0
299.19794	2.3
300.09396	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0548
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.82091	0.4
55.05469	0.7
60.04468	0.4
67.05466	1.4
68.99762	0.7
69.03408	0.5
69.07043	1.0
71.02357	0.4
71.46021	0.7
72.84768	0.4
73.93150	0.4
81.03352	0.4
81.07021	1.8
83.01297	0.6
83.04948	0.5
91.05451	1.6
93.06992	0.9
94.78511	0.4
95.04943	1.0
95.08576	1.3
102.04668	0.5
105.03368	0.6
105.06990	1.2
107.08549	1.2
109.06461	1.2
109.10103	0.5
116.06236	0.5
117.06996	0.6
118.04130	1.6
119.08531	1.6
127.07498	0.5
131.04895	0.6
131.08527	0.5
133.06451	0.4
133.10100	0.9
135.08003	0.7
139.00252	1.0
141.06874	0.5
143.08455	0.5
144.05649	0.8
145.02823	1.1
145.10025	0.6
147.04384	0.7
154.04085	0.7
157.10094	1.0
158.03618	0.9
159.08014	0.5
159.11642	0.4
160.01505	1.4
160.06909	0.4
161.09546	0.6
172.05231	0.6
178.02571	2.0
181.01379	1.1
182.03558	1.4
182.62534	0.4
183.04359	0.8
183.11584	0.6
186.03082	0.7
195.06499	4.6
199.11273	0.5
200.04678	1.7
210.03105	1.6
211.03899	0.5
213.07568	1.6
214.02623	0.9
215.03293	0.5
225.12808	0.5
228.04146	4.8
232.03526	0.7
238.02507	0.7
253.04906	0.7
255.02892	3.2
256.03625	2.4
271.06079	0.6
281.18924	0.6
283.02390	0.7
284.03119	100.0
285.03519	2.1
299.05469	82.9
299.20016	2.5
300.05807	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0545
Annotation	Coccineone B
Peak:m/z	Relative Intensity
51.22993	0.8
54.01937	0.9
55.01866	1.0
55.05506	2.2
55.43655	0.7
67.05492	3.0
69.07054	3.8
71.74405	1.5
79.05492	1.9
81.03409	1.7
81.05148	0.8
81.07050	6.4
82.51295	0.8
83.01338	1.9
83.04972	1.7
83.08612	1.3
91.05469	3.1
91.29683	0.8
93.07021	3.1
95.04955	1.0
95.08603	2.6
97.06533	1.7
101.06018	2.0
101.45980	0.9
104.02530	0.9
105.07027	2.3
107.08584	2.3
108.20804	0.9
109.06507	1.5
109.10159	1.9
111.04453	2.9
119.08569	3.3
121.10133	1.2
127.07579	0.9
129.05455	1.6
129.06963	1.0
131.08554	1.4
133.03043	0.7
133.10092	1.8
135.11655	1.8
141.06969	0.8
143.08560	1.8
145.10110	0.9
150.73352	0.8
152.06172	1.3
157.10146	1.2
159.08052	1.8
163.03946	0.8
169.06549	1.5
172.59186	0.8
181.06441	2.0
195.06483	11.7
197.06003	2.9
199.03969	1.5
213.07541	4.3
225.05473	3.8
225.08965	1.7
227.03339	2.0
246.03601	1.0
253.04938	3.4
256.10428	1.6
268.10828	1.9
281.04419	100.0
281.19067	1.0
282.04874	1.6
284.10336	1.3
299.05606	1.2
299.09372	1.5
299.12494	10.9
299.19797	4.8
323.68796	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0543
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.00298	0.5
53.03944	0.2
55.01852	0.3
55.05505	0.2
57.03417	0.2
57.64868	0.1
65.03917	0.2
67.01857	0.7
67.05473	0.4
68.12663	0.2
68.99776	1.6
69.03418	0.3
69.07037	0.2
70.09739	0.7
71.01339	0.2
74.37440	0.1
77.98199	0.1
79.01827	0.2
79.05486	0.3
81.03397	0.3
81.07031	0.4
83.01318	0.3
85.02876	0.6
88.29169	0.1
89.03905	0.9
91.05464	5.1
93.07060	0.2
95.01305	1.2
95.04954	0.3
95.08581	0.2
97.02863	0.6
97.06492	0.2
103.05453	3.0
105.07000	0.3
107.01300	0.7
107.04867	0.1
109.06479	0.2
109.10146	0.2
111.00755	0.2
115.05416	0.4
117.06989	0.3
119.04927	2.0
119.08530	0.4
121.02824	0.5
121.10159	0.2
123.00779	4.6
124.78880	0.1
125.02316	0.9
128.06229	0.3
129.06982	1.0
131.04880	0.4
131.08527	0.2
133.02809	0.8
133.10095	0.2
135.04478	0.1
135.11682	0.2
137.02321	0.2
138.03088	0.2
139.05408	0.8
141.01839	0.7
141.07004	1.3
143.04907	0.2
145.02826	8.1
145.06461	0.5
145.10091	0.2
146.03075	0.1
147.04378	2.6
151.00255	2.2
152.06161	0.2
153.01805	2.4
155.04893	0.9
157.06482	1.3
159.04369	0.5
159.08009	0.1
165.01828	0.4
166.99823	0.2
167.04878	0.6
169.01375	0.2
169.06467	1.3
171.04341	1.0
173.05934	0.3
177.01782	0.8
178.02547	0.2
181.01292	25.6
182.01639	0.3
183.04376	0.3
185.05975	2.0
187.03877	0.2
187.07475	0.2
189.05299	0.1
193.01308	0.5
195.04370	1.6
195.06499	1.1
197.05933	1.4
199.02341	0.3
199.03908	0.6
213.05431	1.8
213.07530	0.4
213.31224	0.1
215.07014	0.2
223.03871	1.5
225.05496	1.0
239.03258	0.1
241.04919	2.6
243.06500	3.2
251.03333	0.6
253.04971	0.9
269.04395	1.7
271.05988	3.6
281.04422	2.1
299.05453	100.0
300.05750	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1144
Annotation	Nelarabine
Peak:m/z	Relative Intensity
50.31847	0.9
57.07056	1.3
59.04990	0.9
61.01135	2.4
63.26856	1.0
68.99275	0.9
69.03456	0.9
69.93707	5.7
70.06595	1.6
75.02676	1.3
84.08147	1.3
85.02874	1.3
87.04456	1.0
101.06026	1.9
136.06174	59.7
145.03166	1.0
148.06224	1.9
148.14830	0.9
149.04599	3.3
152.05678	4.5
153.04073	3.2
166.07237	100.0
167.05634	9.6
173.03383	0.9
178.07278	8.0
192.08759	1.1
193.10791	1.7
195.06532	1.6
207.94272	1.0
213.07414	1.3
239.11378	2.4
266.08810	3.2
283.03040	1.1
298.11591	8.4
299.05991	2.7
300.06332	2.5
310.49518	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
55.05505	13.2
56.05030	8.8
56.05251	1.4
57.02790	1.6
57.07058	6.3
58.02963	2.4
60.04520	4.3
62.82663	1.3
67.05502	24.8
68.05035	1.7
69.07075	16.2
69.94891	8.2
79.05487	14.7
80.05013	3.2
81.07050	20.0
82.06553	7.6
83.04970	3.6
83.08613	9.1
86.06078	3.1
88.07642	1.4
91.05460	10.2
93.07034	14.5
94.06573	2.3
94.83096	1.5
95.04974	3.2
95.08588	15.4
96.08125	1.7
97.06519	2.5
97.10172	5.0
98.21351	2.0
100.07614	2.9
103.05516	1.9
105.07026	7.9
107.08580	6.5
109.10147	7.3
111.08076	1.4
117.06985	1.5
119.08554	5.5
121.10124	4.3
123.11655	2.1
125.06000	1.7
133.10120	3.8
135.11679	2.4
136.06163	4.9
145.10115	2.0
147.11761	1.6
157.10165	1.7
166.57849	1.4
171.11629	1.6
181.01389	2.7
189.19025	1.4
195.06522	7.3
204.97133	1.4
213.07552	3.2
222.13489	1.7
250.25279	7.3
262.25339	4.2
280.26334	100.0
281.18317	1.5
281.26587	3.2
284.03113	4.3
298.27368	3.6
298.30682	1.6
299.05435	11.7
299.12674	3.1
299.19968	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0965
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
59.20556	0.2
61.00850	0.3
61.01140	4.0
69.03397	0.3
69.86723	0.6
69.87128	0.7
75.02696	2.0
75.78199	0.2
94.04018	0.3
97.02869	1.6
98.21406	0.4
99.14040	0.2
103.02144	0.4
119.03526	0.8
136.06158	100.0
137.04544	0.6
137.06511	0.9
140.88643	0.3
145.03162	1.2
163.04205	1.4
225.50911	0.2
298.09625	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.242
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.05503	13.0
57.03424	2.8
57.07066	3.6
62.06037	2.6
67.05497	28.8
69.07065	15.1
69.43116	2.7
69.43434	25.2
71.04990	3.3
71.08622	100.0
79.05487	12.1
81.07047	46.7
83.08617	11.5
85.10123	3.2
91.05456	16.3
93.07047	18.0
95.08591	29.6
97.06522	7.8
97.10142	4.8
99.08086	73.4
105.06973	14.2
107.08609	10.5
109.06520	3.3
109.10136	9.9
111.08080	4.1
117.07054	3.2
119.08584	7.7
121.10142	9.3
123.11685	5.4
131.08546	6.7
133.10118	3.5
135.11699	6.8
137.13252	4.4
145.10121	7.0
147.11664	40.0
149.09763	2.6
153.12718	9.7
159.11679	2.6
161.13260	4.8
163.11160	9.0
163.14835	13.0
165.12761	13.5
181.15884	7.4
187.14842	3.1
230.19418	2.3
243.21030	13.4
261.22171	12.3
279.23148	41.6
280.23438	4.0
297.18616	4.5
297.21564	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.242
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.03918	1.8
55.01863	12.4
55.05235	2.6
55.05504	77.5
57.03420	6.0
57.07076	11.0
67.05497	100.0
69.03414	6.3
69.07058	68.3
69.07352	1.1
69.88918	11.2
70.19923	1.8
71.04967	5.3
71.08618	6.5
73.02905	1.5
76.29795	1.8
77.80611	1.7
79.05483	52.6
81.07047	96.8
83.04966	10.5
83.08610	45.9
85.06551	9.5
85.10175	2.1
87.04459	1.6
91.05460	15.6
93.07032	41.6
94.97265	1.5
95.04976	5.6
95.08595	77.9
96.08952	2.1
97.06530	11.2
97.10159	59.6
99.08085	6.5
105.07019	11.9
107.07894	3.3
107.08588	45.1
107.60938	1.5
109.06494	5.7
109.10143	55.3
111.08067	6.6
111.11707	5.7
113.09612	4.8
117.06998	6.8
119.08546	10.5
121.06507	3.1
121.10113	22.6
123.08033	1.8
123.11706	20.0
125.09620	40.7
130.44817	1.6
131.08559	10.9
131.81784	1.6
133.10123	10.6
135.08029	6.5
135.11684	36.0
137.09514	2.1
137.13223	14.9
139.98802	1.8
143.08667	1.7
143.10585	2.0
145.10112	6.9
147.11674	8.4
149.09586	1.9
149.13255	11.4
149.14311	1.8
151.11168	2.8
151.14836	5.8
153.09061	3.6
153.12738	14.0
155.10756	2.0
159.11694	4.8
161.13269	7.5
163.11189	2.2
163.14795	5.8
165.12778	3.1
171.10136	3.9
173.11702	5.4
173.13280	7.7
175.14828	3.0
177.12621	2.9
179.14299	3.4
181.12221	4.5
183.13791	2.7
187.13248	2.5
187.14716	3.8
189.11197	24.2
189.16415	2.6
191.14244	2.9
192.00525	1.6
193.15892	2.9
195.13808	3.0
209.13394	2.9
209.15326	2.4
219.21149	2.1
223.16914	4.1
233.22699	4.9
243.21072	12.8
243.94646	1.6
251.23744	4.0
261.22122	36.0
279.23163	72.5
297.18634	4.6
297.24338	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.2
55.05498	14.1
55.52118	5.6
67.05489	28.6
69.07043	32.1
70.35091	6.0
70.35429	32.6
70.74585	5.9
71.04953	7.5
79.05474	24.1
81.07048	69.9
83.04958	8.9
83.08598	10.3
83.32604	6.3
85.48645	5.6
88.43404	5.2
91.05448	27.1
93.07027	68.4
95.04945	21.7
95.08590	77.5
96.38566	5.7
97.06513	13.9
105.04492	6.2
105.07014	78.0
105.42440	5.5
107.08553	41.4
109.06503	11.5
109.10136	26.3
113.10494	5.9
117.06996	11.4
119.08579	64.4
121.06474	15.6
121.10135	100.0
123.08068	9.0
123.11690	61.9
129.06990	11.1
131.08559	18.9
133.10114	60.1
135.11658	15.1
142.07755	24.1
143.08578	11.6
144.09381	8.1
145.10106	47.1
147.11627	30.3
157.10094	52.8
159.11655	26.0
161.09596	20.9
161.13258	9.6
169.10040	9.9
171.11632	23.8
173.09691	7.6
173.13290	7.5
175.11166	27.9
175.14784	15.6
181.10103	11.2
183.11667	12.2
185.13138	9.6
187.14905	7.8
193.09924	6.6
197.13162	6.9
201.16402	10.6
209.13231	13.2
223.14810	10.5
241.15854	7.8
297.22064	53.5
298.30902	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01868	2.9
55.05500	7.5
57.07074	2.6
59.04992	5.3
65.03954	2.1
67.05189	2.2
67.05499	14.5
69.03415	8.8
69.07053	17.3
71.75053	2.5
74.14668	2.1
75.04472	9.3
79.05496	12.6
81.07049	23.9
83.04986	2.5
83.08617	7.9
85.06536	3.9
91.05441	11.5
92.89614	2.1
93.07026	20.3
95.04964	8.1
95.08585	24.2
95.86259	1.9
97.10175	2.8
99.08092	2.3
101.05966	2.8
105.07013	15.2
107.08592	19.1
109.06512	6.9
109.10140	8.4
111.08045	1.9
111.99828	2.0
113.09679	3.6
115.07545	9.2
117.06998	3.3
119.08562	15.8
121.06483	9.2
121.10134	18.3
122.07264	3.6
123.08083	12.5
123.11680	18.6
125.06025	5.0
125.09607	2.9
127.03844	2.4
129.07031	2.8
131.08617	9.3
133.10098	9.5
135.08054	36.0
135.11664	10.0
136.06146	2.8
137.05992	2.5
137.09624	2.6
145.10080	13.6
147.08052	2.3
147.11687	9.4
149.05983	2.2
149.09602	7.4
149.13223	5.8
157.10115	3.2
159.08057	4.5
159.11670	2.4
161.13254	3.0
163.07501	21.1
163.11182	2.9
163.14743	4.3
164.08286	3.2
165.12723	7.2
171.11717	3.9
173.09619	2.6
173.13257	7.8
175.11176	6.3
175.14894	2.0
176.11989	11.5
177.09068	15.5
186.54909	2.0
187.14818	13.5
191.10661	3.3
191.14287	100.0
195.10127	3.4
197.13185	2.7
205.15860	13.0
215.14304	13.1
233.15338	88.6
247.16847	10.2
265.17917	22.5
279.19705	4.7
279.23090	3.7
297.20615	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
55.05501	5.8
57.07044	1.6
57.09351	1.0
59.04985	2.1
60.51510	1.0
60.54954	1.1
67.05508	5.2
69.03420	8.4
69.07063	11.0
69.55601	8.4
71.04974	1.5
73.06549	2.4
74.86777	1.1
75.04483	2.6
77.51062	1.0
79.05491	4.8
81.07046	7.8
83.04957	2.0
83.08598	4.4
85.02853	1.2
85.06531	3.0
91.05470	4.5
93.07037	9.6
95.04918	2.3
95.08604	9.6
97.06517	1.7
98.21409	2.0
99.72961	0.9
101.05963	1.0
103.05428	1.1
103.76891	0.9
105.07018	6.3
107.04926	1.1
107.08575	11.1
109.06511	3.9
109.10134	4.4
111.04406	1.3
111.08056	1.1
115.07561	12.5
117.07025	2.1
119.08537	6.5
121.06490	11.8
121.10133	8.8
121.69061	1.0
122.07262	3.4
123.08054	12.1
123.11670	2.8
125.05998	2.4
129.05479	1.5
129.06984	1.4
130.31082	0.9
131.08553	3.5
133.10115	6.3
135.08028	29.0
135.11659	8.6
136.12462	1.6
137.06023	1.5
137.09541	1.9
141.06956	1.6
145.06425	1.3
145.10129	7.8
147.08020	2.8
147.11642	5.8
149.06015	2.1
149.09618	5.0
151.11201	2.4
157.10117	2.0
159.08073	2.9
159.11665	3.0
161.13182	1.3
163.07532	11.3
163.11125	2.0
163.14790	1.7
164.08229	2.1
165.09091	1.3
165.12801	1.4
171.11659	1.4
173.09569	2.0
173.13223	3.3
175.11214	1.7
176.11934	7.7
177.09074	8.4
187.11118	1.9
187.14847	4.2
191.10754	2.7
191.14293	78.2
192.14671	2.8
195.10210	2.2
205.15868	14.5
214.20068	1.2
215.14296	13.7
233.15338	100.0
234.15627	2.5
247.16934	6.7
254.26283	1.0
265.17944	18.2
279.19522	10.9
279.22931	2.3
297.17706	1.9
297.20627	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2263
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
51.61441	1.4
53.03925	6.3
55.01867	41.3
55.05506	52.2
55.74781	1.3
56.33529	1.4
57.03418	4.8
57.07074	12.6
59.04970	1.7
65.03938	3.0
66.88113	1.5
67.05496	74.1
69.03414	6.1
69.07056	34.5
69.77766	3.2
69.78170	8.5
71.04984	7.5
71.08620	34.5
79.05482	43.3
79.78088	1.4
81.03417	19.4
81.07047	66.3
83.04971	20.8
83.08607	31.3
85.06525	4.5
85.10172	13.9
87.15810	1.5
91.05469	40.0
93.07032	53.4
95.04961	19.9
95.08598	43.4
97.06521	24.1
97.10152	13.7
99.08078	26.9
105.07023	32.4
107.04938	5.2
107.08576	30.7
109.06522	9.1
109.10136	24.6
111.04427	1.8
111.08069	40.3
111.11723	1.9
113.09647	14.1
117.06985	6.3
119.08566	23.9
121.06495	2.7
121.10136	23.3
123.08052	10.2
123.11695	9.1
125.09615	13.0
129.05377	1.7
129.06982	6.6
131.08563	7.5
133.10112	24.7
135.08069	2.7
135.11678	17.6
137.09584	7.4
137.13223	3.8
139.11208	7.9
143.08539	3.6
145.10088	8.0
147.11665	24.0
149.09570	10.4
149.13254	15.2
151.11163	29.9
153.12741	5.8
157.10071	4.4
159.11667	4.9
161.09610	2.5
161.13219	16.9
163.11183	12.4
163.14798	4.3
165.12743	23.8
171.11694	6.5
173.13223	4.2
175.11188	4.0
175.14859	7.4
177.12750	4.2
179.14279	13.3
181.12294	2.1
185.13312	3.1
189.11203	5.1
189.12750	2.2
193.12279	2.4
193.15869	3.4
199.14861	2.5
207.13884	2.9
221.15421	2.7
231.21086	6.0
235.16948	3.0
241.19585	6.9
249.22133	9.4
259.20517	17.7
277.21600	100.0
295.13248	2.5
295.22672	55.9
295.29950	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03935	24.2
55.01862	9.2
55.05502	32.8
57.07063	8.8
65.03941	3.6
67.05130	4.4
67.05495	82.1
69.03389	4.3
69.07062	55.8
70.10985	7.2
70.11379	3.8
71.05009	4.4
71.08604	5.6
73.25022	2.5
79.05488	55.4
81.03409	100.0
81.07047	72.1
83.04970	18.1
83.08601	14.0
85.10168	3.5
91.05454	26.5
93.07029	48.9
95.04955	45.2
95.08588	28.0
97.06532	5.6
97.10162	8.3
99.08089	5.6
105.07013	32.1
107.04933	5.6
107.08576	29.1
109.06483	12.2
109.10153	30.5
111.08067	4.1
113.09647	3.7
117.07011	6.4
119.08574	17.2
121.10134	15.7
123.08047	6.6
123.11721	8.2
125.09651	12.6
129.06966	6.5
131.08589	7.5
133.10130	23.4
135.08066	5.9
135.11684	11.0
137.13216	2.6
143.08537	2.7
145.10104	5.4
147.08028	2.6
147.11670	18.7
147.12674	3.0
149.13255	8.0
151.11166	60.1
153.09084	4.7
157.10112	4.6
159.11714	3.6
161.13252	15.7
163.14828	5.7
165.12733	15.6
171.11713	7.1
175.11203	3.7
175.14851	8.1
177.16458	2.7
179.14308	8.3
189.12714	3.3
193.12262	4.1
207.11722	2.4
207.13806	6.3
217.19475	3.2
221.15179	3.3
231.21118	8.1
241.19496	8.6
249.22202	7.4
259.20535	13.8
277.21616	93.2
295.23285	3.0
300.06363	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03948	4.7
55.01853	8.7
55.05506	30.6
57.03420	5.8
57.07065	7.1
67.05494	68.2
69.07074	20.3
69.33263	3.3
69.72713	22.1
71.04983	5.7
71.08624	59.3
71.15473	2.9
79.05480	49.0
81.03404	8.0
81.07047	65.2
83.04971	14.4
83.08615	17.4
83.32389	2.7
85.06541	5.0
85.19556	3.0
87.78278	3.1
91.05478	31.4
93.07032	66.2
95.04971	8.6
95.08598	41.2
97.06529	11.1
97.10146	11.7
98.20614	2.9
99.08083	34.7
101.72475	2.7
102.22765	2.8
105.07008	28.7
107.04965	5.9
107.08588	44.9
109.06502	8.0
109.10163	29.5
111.08086	4.8
117.07016	6.4
119.08604	17.2
121.10132	37.4
123.08097	3.4
123.11748	3.4
125.09608	9.3
131.08522	5.8
133.10127	15.0
135.11673	49.6
137.09642	3.9
145.10146	6.3
147.11707	7.2
149.13229	11.4
151.11200	12.5
159.11650	5.8
161.13263	15.3
163.11188	6.3
163.14838	3.4
164.18326	2.7
167.10683	4.5
175.14861	4.1
177.12769	6.3
179.14288	100.0
185.13281	4.0
189.11253	3.5
218.99620	2.8
221.15370	3.9
235.16992	3.9
259.20532	8.6
277.21637	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
50.40035	1.6
53.03940	7.8
55.01868	8.9
55.05506	39.9
57.03432	5.8
57.07064	13.0
65.03943	2.5
67.05132	3.5
67.05494	67.7
68.07529	1.7
69.03433	4.4
69.07064	28.9
71.04989	7.0
71.08620	33.9
79.05486	41.9
79.05919	3.0
81.03407	14.0
81.07042	63.5
83.04968	14.7
83.08617	20.0
85.06551	4.5
85.10179	8.9
86.47662	1.5
91.05467	30.0
91.15512	1.5
93.07034	54.6
95.04954	27.9
95.05506	2.5
95.08595	39.6
97.06510	12.4
97.10164	18.3
99.04501	1.9
99.08084	29.8
99.08681	2.1
103.05538	2.1
105.07019	34.9
107.04972	2.5
107.08579	29.4
109.06506	10.3
109.10144	20.7
111.08096	5.1
113.09614	9.2
117.06976	9.6
119.08566	28.9
121.06528	6.4
121.10132	23.3
121.10936	1.6
123.08071	4.1
123.11720	5.2
125.09612	13.2
127.11166	3.0
128.06216	2.3
129.07021	7.0
131.08556	16.1
133.10107	28.0
135.08051	3.5
135.11656	12.3
137.09604	8.3
137.13248	1.6
139.11226	5.3
141.12723	2.8
142.07793	5.2
143.08533	11.2
144.09386	2.1
145.10117	15.7
147.08110	2.7
147.11652	14.3
147.93433	1.5
149.09647	4.1
149.13300	4.9
151.11171	19.6
153.12770	3.5
155.08607	5.7
156.09361	5.7
157.10103	10.3
158.10980	4.9
159.11638	8.5
161.09688	2.4
161.13216	10.4
163.11168	8.1
165.12733	13.7
167.10713	2.2
167.14415	2.4
169.10126	3.6
171.11671	13.9
173.09723	1.9
173.11839	2.8
173.13242	17.9
175.11224	2.2
175.14857	6.0
179.08591	2.3
179.14317	9.0
181.10045	2.2
181.12320	2.4
182.10959	2.7
183.11752	4.0
185.13303	5.1
187.14932	3.6
189.11230	9.5
189.12741	2.0
191.19753	1.6
193.10115	2.1
193.15900	1.8
195.11833	3.2
196.12544	2.8
196.17467	1.9
197.13361	5.4
199.14830	5.3
206.10912	2.0
207.11656	2.1
207.13823	2.1
209.13361	5.9
211.14909	5.3
213.16446	2.1
221.13387	4.1
221.15453	3.7
231.21088	2.8
239.14247	1.9
241.19492	3.1
241.68193	1.6
247.15053	2.6
249.22156	2.5
251.18007	2.7
259.20660	6.9
267.21063	2.7
267.71201	1.4
277.21640	81.0
278.22165	2.6
295.22818	100.0
296.23019	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.29296	1.8
53.03945	3.1
55.01873	16.0
55.05504	33.6
57.03427	3.7
57.07055	5.6
67.05493	61.5
68.05833	2.0
69.03424	3.4
69.07059	99.9
71.04974	8.7
71.74367	2.3
71.74738	2.4
76.44864	2.0
79.05479	50.9
81.03439	3.7
81.07043	100.0
83.04977	12.1
83.05399	2.1
83.08614	21.0
85.06530	9.2
91.05469	32.7
93.07030	55.7
95.04952	9.0
95.08593	61.6
97.06518	17.7
97.10157	7.9
99.08084	11.9
105.07001	29.2
107.08577	40.4
109.06507	8.9
109.10149	17.9
111.04436	2.4
111.08052	6.9
115.07542	7.3
117.07000	6.5
119.08549	26.1
121.06458	2.6
121.10122	37.7
123.07993	10.1
123.11670	10.8
125.09614	28.5
129.06982	6.5
131.08557	12.0
133.10107	18.6
135.08009	3.4
135.10722	3.9
135.11667	37.5
137.09587	3.0
137.13248	2.8
143.08524	4.9
145.10118	11.9
146.38206	1.9
147.11652	28.1
148.11919	2.6
149.09662	2.6
149.13193	14.5
151.11162	4.1
155.08630	2.7
157.10075	4.6
159.11674	7.0
161.13280	15.4
163.11177	5.7
163.14722	3.9
165.12804	6.1
171.11638	11.7
173.13257	8.1
175.14796	4.0
177.12759	6.4
179.14290	4.9
181.12175	2.4
181.15880	2.7
185.13243	6.2
185.32538	2.0
189.12794	4.7
193.10071	2.4
195.13876	2.8
199.14777	4.8
207.13892	3.6
221.15259	3.6
222.82475	2.1
241.19484	9.7
259.20523	12.4
277.21591	59.5
291.27686	2.2
295.22818	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03941	7.4
55.01872	7.9
55.05504	53.4
57.03436	7.7
57.07070	10.6
63.97305	3.9
67.05499	100.0
69.03426	6.8
69.07068	42.4
70.48174	11.6
71.04980	7.6
71.08633	10.3
79.05490	52.5
81.03394	14.9
81.07048	84.0
83.04979	21.7
83.08617	25.7
85.06541	6.9
91.05470	39.6
93.07034	69.4
95.04948	24.1
95.08583	46.4
95.09108	4.0
97.06521	15.2
97.10165	23.9
98.20824	5.2
99.08099	9.6
105.07005	26.8
107.08569	38.3
109.06511	8.6
109.10141	30.8
111.08083	4.3
113.09677	3.5
117.07016	6.9
119.08585	19.7
121.10142	19.9
123.08076	7.2
123.11679	6.2
125.09657	17.5
129.07019	3.1
131.08563	9.2
133.10112	17.6
135.08066	4.5
135.11696	21.3
137.09613	12.7
139.11182	10.6
143.10741	4.5
145.10120	5.9
147.11681	12.9
149.09608	4.4
149.13248	10.5
151.11177	12.0
153.12726	5.0
159.11629	3.2
161.13272	13.9
163.11227	3.0
163.14844	4.2
165.12845	7.2
171.11653	4.2
175.14822	9.3
179.14314	6.6
189.11261	3.9
193.12288	3.0
207.13849	5.6
221.15366	3.7
241.19534	6.2
249.22148	6.2
259.20474	6.8
264.72977	2.6
277.21622	80.6
295.22696	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.2
55.01862	13.5
55.05507	22.3
57.03409	4.8
57.07060	4.2
62.44851	4.1
65.74229	4.1
67.05495	54.3
69.03394	4.9
69.07058	100.0
70.03271	10.9
70.03690	8.1
71.04978	7.1
79.05482	74.7
81.03390	10.9
81.07045	78.5
83.04967	9.3
83.08615	8.0
85.02871	4.6
85.28680	4.0
87.08118	5.1
91.05467	74.8
93.07028	51.7
94.07330	4.0
95.04946	24.7
95.08596	52.7
97.06495	25.0
105.07008	39.6
107.04932	13.9
107.08572	36.6
109.06492	10.5
109.10142	23.8
111.08070	36.4
117.07012	18.5
119.08563	67.4
119.13227	3.5
120.75885	4.6
121.06516	6.2
121.10161	36.1
122.94251	4.0
123.08053	27.5
123.11646	4.9
125.05973	9.1
125.09668	6.8
128.06236	8.2
129.06979	23.0
131.08554	51.6
133.06476	5.3
133.10115	42.9
135.08063	10.4
137.09624	12.5
143.07007	29.9
143.08537	20.1
145.10098	20.9
147.07985	22.0
147.11655	8.9
149.09584	25.1
149.13255	7.2
151.07552	8.6
151.11168	6.3
153.09093	5.3
155.08487	6.8
157.08806	4.9
157.10077	25.1
159.11667	11.4
161.09665	11.2
161.13182	7.9
165.09135	12.4
169.10149	4.9
171.11722	11.4
173.13257	11.5
175.03975	6.8
175.09650	7.1
175.11095	5.7
175.14815	10.0
177.09114	9.1
179.07039	7.3
179.14265	4.9
189.16365	17.4
199.14798	41.0
201.16528	4.3
201.67537	4.0
209.11665	5.2
217.15813	34.4
227.14267	13.8
245.15309	26.9
259.20590	4.8
263.16434	10.5
277.17969	28.3
277.21472	11.1
278.21884	7.2
295.22452	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.0
55.01849	2.0
55.05490	1.7
56.05022	1.9
57.03430	46.4
59.04990	1.9
61.02921	14.8
64.21479	0.9
67.05494	1.3
69.03423	49.5
69.07034	1.8
70.06575	1.7
71.01341	9.9
71.35286	2.2
72.08140	1.9
73.02908	100.0
74.03251	1.0
74.06074	1.7
79.05492	1.4
81.03396	4.4
82.10855	0.9
84.04478	1.1
84.08134	3.1
85.02897	63.8
86.09692	3.7
87.04462	6.9
91.03928	2.4
91.05457	2.9
93.07027	1.5
95.04971	1.4
95.08595	2.2
97.02882	66.2
99.04438	2.8
102.05509	1.2
105.07020	1.2
109.02885	5.6
115.03917	65.3
116.07097	1.6
119.08685	1.0
120.08105	3.8
127.03890	13.4
129.10281	2.9
133.04953	14.0
134.08138	5.5
136.06165	31.4
136.07535	2.0
145.04939	14.3
150.07733	4.7
162.04091	13.6
163.05971	2.4
169.70171	1.1
172.81384	1.3
211.06003	1.3
223.05856	1.3
241.07034	2.7
249.05536	1.8
252.15971	2.1
259.08194	1.5
295.06082	2.8
295.09409	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03936	1.3
55.01867	14.8
55.05500	1.1
57.03432	34.9
59.04990	3.4
61.02921	16.0
61.08170	0.7
67.05502	1.1
69.03422	38.5
69.07056	1.2
70.06596	1.7
71.01344	7.9
71.04980	2.3
71.61141	0.7
71.73472	0.6
72.08157	2.0
73.02911	56.3
75.04425	0.7
79.05479	1.0
81.03413	5.0
81.07035	1.2
83.04929	1.1
84.04504	1.3
84.08134	2.9
85.02895	100.0
86.03212	0.9
86.09700	4.3
87.04450	7.2
87.34335	0.7
87.91633	0.9
91.03955	3.9
91.05464	5.4
93.07040	1.3
95.04986	1.2
95.08609	1.1
97.02882	48.6
97.06496	0.9
99.04446	3.7
101.02367	1.0
102.05563	0.7
103.03925	6.4
106.61884	0.8
109.02872	7.7
115.03918	30.9
116.04256	0.8
119.04948	2.9
120.08080	6.2
121.06483	1.0
123.04413	1.3
127.03902	24.6
129.10236	2.1
133.04953	47.8
134.08063	0.9
136.06206	4.9
136.07576	22.8
145.04953	23.9
145.06082	1.6
149.06042	0.8
151.03932	0.9
162.04173	1.1
163.05984	3.7
181.04988	0.9
193.05089	0.8
195.02194	0.8
199.06001	0.9
241.07042	1.6
252.15926	1.1
258.88028	0.8
259.08054	1.2
295.06079	1.1
295.09396	0.9
295.12863	0.9
295.16556	1.9
296.18695	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.2
57.07071	0.5
57.10855	0.2
58.02951	0.2
61.77687	0.2
65.03942	0.4
66.04717	0.3
67.05479	1.0
69.07045	0.5
70.88055	0.6
71.08595	0.3
79.05486	1.0
81.07041	2.8
82.07361	0.3
91.05465	0.7
93.07032	0.5
94.04184	2.4
94.07413	0.3
95.04929	0.3
95.08576	0.4
97.06518	0.3
103.85352	0.2
107.04910	0.4
107.08615	0.3
108.08896	0.3
109.06512	0.5
122.03631	7.1
123.11667	1.4
123.90926	0.2
137.05957	100.0
138.06296	1.1
158.15355	1.4
162.45288	0.2
170.15421	1.7
203.47153	0.2
210.12245	0.2
238.11729	0.3
276.20401	1.1
294.20889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2061
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
53.03929	0.3
55.05503	0.7
57.07061	1.4
62.06076	0.8
67.05489	1.1
69.07051	0.5
69.42141	3.6
71.08613	1.1
79.05476	1.5
81.07030	1.7
82.71565	0.3
84.08171	0.3
91.05465	1.4
93.07027	0.9
94.04186	2.7
95.04929	0.5
97.06499	0.5
102.06603	0.3
106.07389	0.8
107.04956	0.3
107.08564	1.0
108.08914	0.5
109.06512	0.9
121.10088	0.6
121.19798	0.4
122.03639	8.6
123.11728	0.5
125.09616	0.3
137.05959	100.0
138.06329	1.5
141.12749	2.9
158.15401	1.2
276.20398	1.4
276.60437	0.3
277.21475	0.4
294.21051	0.6
301.99435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2835
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
52.11372	1.1
53.03921	2.7
55.01854	2.5
55.05505	30.5
56.96540	1.1
57.07070	18.6
65.03943	1.3
67.05500	37.3
69.03416	3.2
69.07063	54.3
69.77100	7.1
71.04964	3.8
71.08621	11.1
72.40641	0.9
79.05485	13.0
81.07048	100.0
82.07382	1.0
83.04969	1.7
83.08613	36.0
85.06534	13.9
85.10145	3.6
91.05450	5.1
93.07033	28.7
95.04955	1.8
95.08601	86.5
96.08941	1.4
97.06539	6.4
97.07069	1.5
97.10159	16.6
99.08067	9.0
105.07033	4.9
107.08580	34.2
109.06490	1.5
109.10145	53.7
111.08077	10.7
111.11699	10.8
113.09621	2.9
119.08570	2.1
121.10136	18.6
122.10466	1.4
123.08096	1.1
123.11697	46.0
125.09586	6.2
125.13259	4.0
131.08528	1.8
133.10101	2.0
135.11687	9.7
137.12228	2.3
137.13240	33.2
139.11070	2.6
139.14864	1.3
142.39201	1.2
145.10046	1.7
147.11646	1.7
149.12097	1.9
149.13246	29.1
151.14804	5.4
153.12657	2.4
163.14781	6.3
165.16370	2.7
167.14349	13.2
177.16396	2.5
179.17929	2.7
184.83295	1.0
191.17938	1.3
193.19421	1.2
205.19472	1.9
215.06816	1.2
219.21123	3.3
237.09076	1.5
237.21991	1.3
243.99268	1.3
249.25630	2.4
273.94452	1.0
275.19974	2.1
275.27209	6.3
293.11621	4.4
293.21252	1.4
293.28336	41.9
294.28693	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
53.72103	0.8
55.01852	2.6
55.05506	24.9
56.58405	0.8
57.06788	1.3
57.07067	22.0
60.27133	0.8
65.03922	1.3
67.05496	32.5
69.03411	4.3
69.07059	58.9
71.04971	2.6
71.08624	11.7
79.05483	15.4
81.07047	100.0
83.04958	2.2
83.08611	35.3
85.06539	13.4
85.10159	2.5
91.05474	6.1
93.07031	29.7
95.04949	3.2
95.08596	99.8
96.08900	0.9
97.06509	8.5
97.10156	21.4
98.21382	2.0
99.08088	7.8
101.05977	0.8
105.07010	5.7
107.04955	1.2
107.08578	34.5
108.05402	0.7
109.06494	2.6
109.10144	56.7
111.08073	11.0
111.11700	10.0
113.09591	2.1
117.07001	1.0
119.08587	4.4
119.09303	0.8
121.10124	18.1
123.08045	1.3
123.11691	44.5
125.09596	4.8
125.13258	4.9
131.04889	1.3
131.08540	1.9
133.10095	2.0
135.08022	0.8
135.11682	9.8
137.05981	1.3
137.13240	38.4
139.11118	1.9
141.12680	0.8
145.06546	0.9
145.10123	1.4
147.11665	1.0
149.09546	1.1
149.13231	25.4
151.14784	6.4
153.12706	3.5
156.09364	0.8
159.11597	1.5
161.13264	1.0
163.14824	8.3
165.16354	3.3
167.14296	13.0
173.09695	0.8
177.16394	2.8
179.17941	3.3
191.17894	1.5
193.19498	1.2
197.13237	1.0
205.19550	1.8
209.09592	0.9
209.18916	1.5
219.21109	1.8
223.07491	1.0
235.07495	1.0
237.09010	1.0
237.11189	0.9
237.22176	1.2
249.25658	2.0
251.07033	1.7
265.12106	1.0
275.20108	2.6
275.24631	1.1
275.27277	6.3
293.11731	6.0
293.21094	2.3
293.28329	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.247
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.05503	10.5
57.07069	2.6
65.03924	1.9
65.60204	1.1
67.05493	89.5
68.05823	1.2
69.03423	1.3
69.07058	8.6
70.79509	3.7
79.05075	1.3
79.05481	14.3
81.07043	100.0
82.07368	1.8
83.04956	1.8
83.08584	5.3
85.06494	2.3
91.05460	5.3
92.90500	1.0
93.07023	12.4
95.04980	1.0
95.08591	73.0
96.08894	1.7
97.06508	2.2
97.10148	1.6
99.08057	1.3
105.07025	4.0
107.08572	9.5
109.06571	1.7
109.10139	38.1
117.06947	1.2
119.08538	3.1
121.10115	8.1
123.08031	2.0
123.11689	21.3
131.08540	3.2
133.10114	3.6
135.11670	4.3
137.09605	1.7
137.13245	8.1
145.10062	4.2
147.11682	2.9
149.09569	2.3
149.13225	3.7
151.11205	1.0
151.14816	2.8
159.11679	1.5
161.13214	2.2
163.14795	2.8
173.13278	3.0
177.12717	1.9
177.16313	1.6
187.14789	3.6
191.14336	1.1
201.16333	1.0
215.42616	1.0
237.18576	1.5
240.72348	1.1
243.21045	4.0
261.22092	5.2
293.21490	1.6
293.24750	15.1
294.24954	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.247
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03946	1.5
55.01866	1.6
55.05501	10.0
57.07071	2.0
65.03941	2.4
67.05496	91.1
68.05851	0.6
69.07059	10.0
69.47381	6.0
71.04986	0.8
71.08620	0.8
72.86713	0.6
74.56403	0.6
79.05485	15.3
79.05924	1.2
81.07044	100.0
82.07389	0.7
83.04967	1.6
83.08612	6.4
85.06535	2.1
91.05471	7.2
93.07031	15.7
95.04961	1.9
95.08596	80.6
96.08932	1.6
97.06513	2.3
97.10155	3.1
99.08088	1.4
105.07012	7.2
105.81163	0.5
107.08582	11.4
109.06470	1.8
109.10144	33.3
109.70469	0.5
111.08074	1.0
111.11681	0.8
117.06997	2.4
119.08575	5.5
121.06494	1.2
121.10140	8.9
123.08064	2.3
123.11687	17.6
125.09609	1.1
129.09093	0.9
131.08566	7.1
133.10118	4.8
135.08022	1.7
135.11696	6.6
137.09583	2.3
137.13248	8.7
140.70496	0.6
141.09151	0.6
143.08548	0.8
145.10081	4.0
147.11678	3.4
149.09596	2.6
149.13261	3.9
151.11154	1.2
151.14835	3.6
159.11662	5.6
161.13246	3.1
163.11162	4.1
163.14783	3.3
165.12770	1.6
165.16400	1.1
173.13246	5.4
175.14771	0.9
177.12744	2.9
177.16339	1.6
179.14275	1.6
187.14790	4.0
191.14302	2.8
201.16325	0.7
205.15807	1.2
209.15349	1.5
219.21074	1.6
223.16818	1.0
229.19528	0.6
233.22620	1.2
237.18410	1.0
243.21083	5.1
257.19058	0.9
261.22116	6.4
275.20038	4.2
293.21454	1.0
293.24701	12.7
294.25043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
52.67198	2.7
53.03936	10.7
55.01868	24.2
55.04953	2.8
55.05503	35.5
57.03427	7.8
57.07063	20.1
58.29361	2.8
65.03927	6.7
67.05499	71.6
69.04751	2.7
69.07058	26.5
70.92403	2.6
70.94333	2.9
71.04964	7.2
71.08629	6.9
71.30656	3.4
71.75420	3.2
77.27367	2.7
79.05084	3.3
79.05493	43.3
81.03414	28.8
81.07043	77.3
83.04968	17.1
83.08603	21.1
85.06539	15.1
85.10183	3.0
91.05459	33.7
93.07050	44.4
95.04961	43.7
95.08599	47.1
97.02869	3.9
97.06522	11.2
97.10162	5.1
98.98422	2.9
99.04482	3.5
99.08085	4.0
105.07011	38.5
107.04951	17.1
107.08582	35.9
109.06497	13.8
109.10158	30.0
111.04420	17.6
111.08061	7.5
117.07006	10.8
119.08558	29.9
121.06493	8.0
121.10131	22.5
123.04436	6.9
123.08056	21.1
123.11681	8.0
125.09606	10.4
129.06996	5.1
131.08563	20.6
133.06395	3.2
133.10092	29.7
135.08063	7.1
135.11684	10.1
137.09586	50.4
139.07471	2.9
141.06924	3.4
143.08620	3.6
145.10086	15.6
147.11673	10.2
149.09625	10.8
149.13245	6.6
151.11162	18.1
153.12819	4.7
157.10112	4.2
159.11691	12.9
161.09653	4.7
161.13242	3.5
163.11171	10.2
163.14793	3.8
165.09140	6.7
165.12766	4.0
167.10594	3.1
169.10075	4.0
171.11638	3.4
173.13293	6.5
177.12769	4.7
189.12801	3.6
191.10548	4.5
195.13853	3.3
209.11754	7.1
219.13680	3.1
223.13493	4.3
229.19548	5.6
237.11240	8.4
247.20671	16.1
257.19019	12.3
275.20038	76.9
293.15869	6.1
293.21149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	4.9
55.01874	14.6
55.05510	26.1
57.03421	2.9
67.05499	36.6
69.07066	17.9
70.36460	7.5
70.36878	3.7
71.04980	2.5
79.05074	3.8
79.05492	40.5
81.03405	6.6
81.07048	71.0
83.04970	4.9
83.08607	17.6
85.06570	3.6
91.05470	25.1
93.07033	32.5
95.04964	16.5
95.08594	28.4
97.06525	16.3
97.10184	10.4
98.20790	2.4
103.62870	2.1
105.07020	37.3
107.04945	9.7
107.08578	33.3
109.06498	16.0
109.10139	11.7
111.08112	4.1
117.07014	13.2
119.08549	22.6
121.06506	6.4
121.10123	17.3
123.08039	7.2
123.11700	6.0
125.09645	7.0
129.06998	3.5
131.08562	13.3
133.10107	23.3
135.08012	5.3
135.11688	8.9
137.09608	6.1
143.08551	2.7
145.06491	2.7
145.10132	14.0
147.11667	12.8
149.09662	19.3
149.13281	2.9
151.11147	7.2
157.10092	3.3
159.11676	8.6
161.09689	3.7
161.13210	3.0
163.11148	10.0
165.09106	5.2
171.11754	3.6
173.13235	5.8
177.12737	6.3
187.11136	3.2
189.11145	3.0
197.13272	3.8
208.80029	2.4
215.14346	3.0
215.17992	3.7
229.19534	5.2
239.18039	7.3
247.20476	6.9
250.81456	2.4
257.18982	11.5
275.20044	100.0
276.20459	4.3
293.21109	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03923	2.0
55.01858	2.7
55.05501	14.9
57.03424	14.3
57.07056	2.5
67.05490	17.1
67.96856	1.0
69.03423	1.4
69.07059	7.6
71.04978	1.8
73.06551	1.3
79.05479	16.7
81.03415	1.7
81.07040	22.1
83.04957	3.1
83.08608	6.4
85.06526	3.9
91.05462	19.5
93.07028	21.2
95.04957	8.0
95.08591	19.5
97.06497	4.0
97.10133	2.1
98.20674	3.3
99.04425	2.6
99.08091	1.5
101.69657	1.0
105.07008	15.0
107.04932	4.3
107.08585	11.8
109.06480	8.4
109.10104	6.1
111.04431	1.4
111.08060	2.0
117.07024	7.2
119.08556	12.9
121.06504	2.6
121.10128	7.1
123.08077	3.0
123.11693	1.7
125.09686	1.4
129.06972	2.5
131.08556	14.8
133.10117	9.8
135.08018	1.8
135.11639	5.4
137.09628	3.6
142.07689	1.2
143.08537	2.3
145.10097	7.5
147.11664	3.8
149.09581	5.9
149.13277	1.3
151.11142	1.9
157.10124	1.5
159.11690	5.2
161.13272	1.8
163.11157	2.5
173.13191	1.2
175.11192	1.6
177.12802	1.5
181.04887	1.2
183.11710	1.1
185.13234	4.2
187.11314	1.1
201.16283	6.2
203.14301	3.7
209.11768	1.7
219.17395	100.0
220.17665	2.9
221.15271	2.8
230.04707	1.3
236.17110	1.3
237.11185	3.0
247.20546	1.8
247.73192	1.0
257.19022	3.4
275.20001	17.5
276.20285	1.3
293.21063	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.02369	2.6
53.03938	6.5
55.01868	14.6
55.05505	64.4
56.92260	2.2
57.03434	4.2
57.07051	6.7
62.39858	2.2
67.05494	51.9
69.03422	2.5
69.07075	18.2
70.79176	6.1
71.04986	3.4
79.05481	90.1
81.03395	9.2
81.07045	43.9
83.04961	15.6
83.08611	24.2
85.02897	2.7
85.06524	4.4
88.54134	2.2
91.05465	35.1
93.06491	4.3
93.07032	44.2
95.04953	14.9
95.08581	22.6
97.06527	6.8
97.10152	36.7
97.89867	2.3
105.07014	36.9
107.04940	57.3
107.08581	76.3
109.06508	8.5
109.10136	24.6
111.04385	3.1
111.08039	4.0
115.11022	2.2
117.07030	11.5
119.08559	25.0
121.06509	5.9
121.10114	18.2
123.08023	5.3
123.11669	6.2
125.09621	34.8
131.08580	14.4
133.10106	21.7
135.08041	10.9
135.11636	5.3
137.09627	3.4
145.10104	13.2
147.11629	17.4
149.09595	91.5
153.09052	5.7
157.10138	4.0
159.11682	10.7
161.13271	6.1
163.11154	4.9
167.10701	3.2
169.10162	3.0
171.10255	2.6
171.11674	3.8
173.11734	4.8
173.13142	5.0
177.12672	2.9
181.04935	4.3
187.11165	4.6
187.13152	2.6
189.11206	27.0
197.13364	2.9
209.11755	5.6
215.17876	4.0
218.36523	2.8
229.19398	6.0
237.11267	5.7
239.17775	3.2
247.20546	4.8
257.18970	22.5
275.20032	100.0
276.20303	3.8
293.21146	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03935	1.9
54.93613	0.8
55.01866	3.5
55.05502	12.5
57.03408	1.3
57.07063	1.8
65.03930	1.2
67.05497	27.5
69.03417	1.5
69.07056	24.9
70.15331	5.5
71.04972	2.3
79.05485	19.5
81.03416	1.7
81.07044	26.8
82.27530	0.9
82.37778	0.9
83.04974	6.0
83.08598	5.1
85.06512	1.8
86.61034	0.9
91.05466	18.3
91.06024	1.5
93.07029	20.8
95.04958	9.0
95.08594	19.3
97.06532	3.6
97.10146	2.2
105.07014	26.7
107.04978	6.9
107.08574	15.4
109.06503	10.2
109.10130	9.2
111.08012	1.3
115.05368	1.1
117.06983	6.0
119.08564	12.4
121.06499	10.0
121.10138	8.0
123.08049	4.1
123.11681	1.4
124.76047	1.0
125.09579	1.5
129.07008	3.1
131.08565	12.7
133.06462	2.6
133.10104	18.4
134.22437	1.0
135.08026	3.3
135.11684	4.8
137.09602	1.0
138.89470	0.9
139.11137	1.2
143.08534	2.4
145.06458	1.6
145.10107	11.1
147.08038	2.7
147.11673	11.3
149.09616	6.4
149.13251	2.7
151.11148	7.5
155.08499	1.5
157.10083	2.6
159.08018	2.5
159.11665	6.7
161.09625	3.6
161.13258	2.7
163.11182	4.0
169.10033	1.2
171.11700	1.3
173.09601	2.2
173.13264	5.3
175.11174	2.3
176.69919	1.1
177.12724	2.3
182.34964	1.0
183.11710	1.7
185.13168	1.4
187.11116	2.1
187.14709	1.1
189.12787	1.5
191.14252	3.4
197.13254	1.9
201.12723	2.2
205.15782	1.1
207.13800	1.5
210.13409	1.1
215.17918	1.6
219.13768	5.6
229.19452	3.3
231.17482	1.1
239.17889	3.8
247.20586	3.8
257.18964	17.4
275.20020	100.0
276.20389	2.8
293.21075	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03928	6.4
55.01857	10.7
55.05507	24.7
57.03404	3.5
57.07081	19.6
62.52560	2.4
66.70109	2.3
67.05500	51.7
69.07066	70.3
70.07819	3.7
70.34591	11.3
71.04981	3.9
75.79641	2.7
79.05487	51.9
81.03387	5.6
81.07048	100.0
83.04961	4.0
83.08625	12.8
85.06532	2.1
91.05469	36.0
93.07035	33.9
95.04960	19.0
95.08591	35.6
97.06522	6.5
97.10138	5.5
98.21331	3.5
103.05434	3.2
105.07018	43.0
107.04939	10.8
107.08589	27.0
109.06501	28.2
109.10168	23.2
111.04454	2.9
111.08049	5.0
115.07571	16.2
115.08296	2.1
117.06996	10.7
119.08566	38.6
121.06477	4.9
121.10123	15.5
123.08036	9.5
123.11655	7.3
125.09603	4.3
126.99422	4.0
129.00989	6.6
129.06989	6.5
131.08528	12.7
133.10130	32.5
135.08034	7.6
135.11655	7.3
137.09598	11.1
141.01018	14.2
145.10107	12.0
147.11635	16.1
149.09651	11.8
149.10641	2.7
149.13283	4.0
151.11185	8.2
155.02538	4.3
157.10155	5.4
157.57262	2.5
159.11668	10.5
161.13228	3.4
162.74951	2.7
163.11157	7.2
165.12802	3.1
169.10020	3.8
171.11601	2.4
173.13261	7.9
175.11244	4.9
177.12865	2.6
185.13145	2.5
189.11145	2.7
197.07262	35.0
219.13704	2.4
225.06723	3.4
229.19513	3.6
239.17902	3.2
247.20547	7.7
257.18958	8.9
275.20020	67.3
293.21048	40.8
294.10010	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.74268	2.1
53.03936	2.9
55.01877	12.1
55.05505	65.8
57.03424	4.5
59.70366	2.3
65.03933	2.6
67.05499	55.4
67.52945	2.0
69.03414	5.1
69.07063	26.1
70.65023	6.6
71.04987	5.6
79.05490	61.7
81.03407	4.8
81.07049	44.5
83.04954	6.7
83.08615	28.4
85.06522	4.4
91.05470	48.6
93.07033	42.7
95.04961	25.6
95.08600	31.5
97.06529	13.5
97.10169	22.5
105.07024	44.8
107.04922	9.2
107.08581	100.0
109.06496	10.0
109.10149	25.4
111.08072	3.8
111.11754	2.0
117.07001	9.8
117.57411	2.1
119.08561	28.8
121.06508	3.3
121.10130	19.7
123.08041	3.0
123.11716	4.3
125.09625	22.9
129.06989	2.1
131.08546	15.7
133.10115	27.0
135.08023	6.8
135.11659	7.8
137.09624	12.8
139.11133	7.8
141.06889	2.2
143.08574	3.0
145.10110	17.1
147.11671	16.0
149.09595	24.9
151.11156	5.0
157.10100	3.1
159.11719	12.2
161.09587	3.6
161.13216	4.6
163.11137	7.5
165.09024	2.4
165.12695	2.3
167.10544	2.5
171.11678	2.7
173.13242	7.8
177.12712	3.2
181.12219	1.9
183.11674	3.9
185.13388	2.0
189.11227	16.4
189.12704	3.4
193.12274	2.6
197.13264	2.5
202.82036	2.1
203.12790	6.3
223.13263	5.6
229.19469	4.2
239.17871	6.3
247.20604	3.7
257.19009	13.6
267.44046	2.1
275.20041	97.8
276.20273	4.4
293.21091	35.9
298.13669	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03929	6.2
55.01871	14.8
55.05505	22.4
57.03421	9.6
57.07067	2.5
65.03928	3.1
67.05492	38.2
69.03394	3.6
69.07051	18.6
69.73119	2.2
70.47338	7.8
71.04973	4.8
77.39003	2.6
79.05483	43.9
81.03404	6.2
81.07046	50.3
83.04970	6.6
83.08630	11.5
83.88075	2.5
85.06532	3.8
91.05466	36.3
93.07037	42.3
95.04953	13.0
95.08599	30.1
97.06521	19.8
97.10149	9.8
105.07018	42.1
107.04956	9.9
107.08579	66.3
109.06513	16.9
109.10139	14.7
111.08094	6.3
117.07040	11.3
119.08584	27.8
121.06492	6.4
121.10126	18.2
123.04408	3.3
123.08060	6.4
123.11666	6.8
125.09614	10.1
129.06993	4.0
131.08551	21.6
132.58287	2.5
133.10115	22.9
135.08046	8.1
135.11671	7.7
137.09593	6.9
141.06961	2.8
143.08539	4.8
145.10136	19.2
147.11690	20.3
149.05907	3.7
149.09595	20.8
149.13283	3.6
151.11171	6.9
159.11699	14.2
161.09604	4.3
161.13239	6.7
163.11209	10.2
165.09053	6.0
171.11653	4.8
173.13274	8.5
175.11169	3.9
177.05402	12.4
178.06233	13.4
183.11693	5.0
185.13213	6.5
187.11153	4.4
189.11195	6.2
190.58537	2.7
191.07036	6.7
191.14307	2.5
195.11728	3.3
201.16425	4.3
203.14330	4.8
205.81635	2.8
219.17390	16.2
221.15263	4.8
229.19633	2.9
233.11801	14.4
237.11023	3.0
239.17940	7.2
247.20560	3.6
257.18921	14.4
275.20032	100.0
275.23019	5.3
293.21082	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03928	6.0
55.01867	13.6
55.05507	27.5
57.03420	3.2
57.07055	2.8
65.47144	1.3
67.05496	40.0
69.03418	2.5
69.07057	18.9
70.93694	1.6
70.94025	3.1
71.04960	3.5
73.59818	1.2
79.05483	39.2
81.03410	8.6
81.07045	68.7
81.33589	1.4
83.04955	5.8
83.08607	14.9
85.06519	3.6
87.50080	1.2
91.05463	29.7
93.07026	28.1
95.04958	13.5
95.07991	2.1
95.08586	29.2
97.06499	14.6
97.10149	6.0
99.08054	2.3
103.05517	1.9
105.07011	32.0
107.04928	11.2
107.08576	30.8
109.06490	18.5
109.10137	14.6
111.08070	4.0
115.05460	1.7
117.07000	12.0
119.08567	21.3
121.06475	5.4
121.10133	16.3
123.08088	7.1
123.11686	8.7
125.09627	7.5
129.06976	3.4
131.08553	11.8
133.06488	1.8
133.10109	22.1
135.08020	5.0
135.11699	9.1
137.09560	7.3
137.13245	2.9
139.11128	2.1
141.06946	2.0
143.08540	3.0
145.10103	14.0
147.08002	2.6
147.11670	16.5
149.09598	15.1
149.13242	5.0
151.11195	7.4
151.14748	1.4
155.08507	2.9
157.10089	4.8
159.11690	9.1
161.09554	1.6
161.13243	4.4
163.11147	9.7
165.09117	5.5
165.12709	2.7
169.10033	2.0
171.11658	2.9
173.13199	6.8
175.11163	4.9
177.12733	5.1
183.11615	2.9
187.11147	1.7
187.14833	1.7
189.11223	3.2
189.12808	1.6
191.14343	1.6
192.52069	1.2
193.12219	2.8
197.13239	3.1
201.12645	1.7
201.15697	1.3
215.14294	1.7
229.19489	5.3
238.98164	1.5
239.06935	1.5
239.17924	7.1
247.20604	7.9
257.18973	12.7
265.21579	3.2
275.20026	100.0
276.20303	4.3
282.59872	1.3
293.12045	1.9
293.18173	2.1
293.21136	33.4
294.21426	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03930	7.7
55.01871	25.6
55.05506	44.8
56.96555	10.3
57.03415	5.6
57.07057	8.2
65.03935	6.8
67.05496	78.8
69.03379	6.2
69.07061	44.8
69.28454	3.5
70.64628	6.5
70.71717	2.8
71.04981	15.0
79.05489	76.5
81.03416	12.6
81.06599	6.6
81.07049	100.0
83.04962	14.9
83.08600	26.6
85.06514	9.6
91.05463	76.3
92.05724	3.7
93.07034	75.5
95.04964	30.0
95.08599	67.4
97.06516	37.1
97.10158	18.6
99.08055	6.0
105.07017	62.6
107.04970	6.7
107.08586	79.0
109.06485	22.4
109.10155	29.8
111.04433	8.3
111.08067	9.9
117.07001	18.0
119.08560	51.5
121.06512	8.6
121.10139	31.7
123.08058	15.0
123.11681	8.1
125.09620	24.9
130.72789	3.4
131.08562	27.8
133.10120	33.8
135.04329	3.6
135.08044	11.0
135.11691	15.4
137.09560	9.2
137.13232	6.1
141.06982	5.1
143.08481	7.8
145.10133	28.8
147.11644	22.2
149.09579	16.8
149.13232	6.9
151.11171	9.0
157.10088	10.2
159.11638	17.3
161.13208	5.9
163.11171	17.6
165.12830	5.6
169.10074	5.4
171.11604	5.7
173.13293	11.2
175.11050	4.1
177.12755	5.5
179.03426	4.5
183.11732	3.9
189.11227	16.3
211.07559	7.7
215.06482	9.6
221.15462	4.4
223.13249	9.3
233.15286	4.1
237.09082	9.7
239.07047	7.7
239.17802	6.2
247.20619	5.7
249.18581	4.9
251.06999	7.3
257.18964	14.4
264.07703	4.1
265.12152	4.0
275.20041	96.6
281.15634	3.7
293.11755	16.9
293.15149	6.5
293.21164	69.7
293.28064	7.2
308.51837	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03939	25.2
55.01861	27.4
55.05502	44.5
57.03412	7.9
57.07059	7.0
67.05496	76.2
69.03409	5.9
69.07058	52.7
70.09009	15.3
70.09422	7.5
71.08592	4.2
79.05491	58.5
81.03413	49.5
81.07045	100.0
83.04979	9.4
83.08607	21.6
85.06509	6.5
91.05458	69.7
93.07034	47.1
95.01299	3.7
95.04953	24.5
95.08106	4.3
95.08603	58.4
97.06528	35.0
97.10155	7.6
98.21352	6.0
99.08071	5.0
105.07021	89.6
107.04951	24.2
107.08580	45.2
109.06506	18.2
109.10139	20.1
111.08041	5.0
117.07020	21.3
119.04898	4.1
119.08566	55.0
121.06451	12.6
121.10114	20.5
123.08051	17.7
123.11689	6.0
131.08543	33.1
133.10114	56.7
135.08040	8.1
135.11671	17.9
137.09618	7.7
137.13292	4.1
138.13397	3.9
145.06456	8.9
145.10083	22.5
147.11713	25.2
149.09587	14.8
149.13217	9.3
151.11140	11.8
157.10037	5.0
159.11676	17.7
161.13202	7.1
163.11134	8.9
165.09079	5.6
169.10114	6.0
173.13226	7.5
177.12718	6.0
179.14253	10.9
187.11133	9.2
205.12129	5.1
209.11594	5.4
219.17372	15.6
229.19493	4.6
237.11211	9.7
257.18939	10.0
275.20020	76.8
293.17746	9.5
293.21069	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20376	3.5
71.33758	5.1
71.34073	5.1
75.72193	3.7
79.25156	3.5
85.46759	3.8
85.81778	4.0
143.01825	5.1
153.50987	3.5
161.02919	9.1
203.03973	3.9
293.06314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.116
Annotation	N 98-1021A
Peak:m/z	Relative Intensity
53.03942	1.5
55.01856	5.1
55.05484	1.4
57.07053	1.1
60.04510	1.9
61.01136	13.2
67.05490	1.4
69.03408	1.0
69.07031	1.7
69.62787	0.8
70.02926	0.9
70.06572	1.8
71.04987	2.1
71.06094	1.4
71.74005	1.1
72.04510	14.8
73.02892	2.4
77.00618	1.0
78.03776	31.3
79.05450	1.1
81.03412	4.2
81.07037	2.6
83.04945	3.3
84.08109	3.0
85.02897	20.1
86.06050	5.6
86.09672	2.4
91.05449	2.1
93.07014	1.4
95.04977	1.2
95.08620	1.8
97.06496	2.7
98.02381	1.4
98.06031	3.0
99.04433	13.2
102.03749	42.5
103.02145	4.6
103.03931	36.6
104.01640	1.5
105.07023	1.1
107.08565	1.3
109.02840	5.9
109.10166	1.5
112.07614	1.5
114.03780	4.0
114.05486	2.7
115.02146	0.9
115.05075	1.0
115.08641	1.6
116.01591	1.0
116.98680	0.9
120.04776	9.4
120.08091	2.1
126.05495	40.4
127.03893	13.8
128.98529	1.0
131.06374	22.0
132.04781	16.7
133.10182	1.0
141.06572	1.3
145.04988	2.3
147.05815	2.7
149.07420	100.0
150.07594	1.0
152.07039	3.4
154.08621	4.9
156.06531	2.6
170.91833	0.9
175.05354	5.9
180.06537	28.0
181.06767	1.0
186.05779	1.5
191.08478	1.4
192.39197	1.0
198.07619	7.9
216.08656	5.7
222.07788	1.6
231.11661	8.0
233.09515	2.3
257.09552	4.0
275.10562	5.0
275.19962	1.3
293.11609	78.3
294.11838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2679
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03923	2.8
55.01849	3.7
55.05503	25.8
57.03424	2.3
57.07076	13.8
65.03916	1.9
67.05497	41.3
69.03416	3.5
69.07061	58.1
70.37614	6.4
71.04964	4.8
71.08638	9.4
79.05483	21.8
81.03400	3.8
81.07050	94.3
82.07383	3.4
83.04967	3.4
83.08618	27.4
85.06511	4.4
85.10162	2.8
90.06609	1.4
91.05469	16.4
93.06496	2.9
93.07037	39.1
94.07353	2.1
95.04953	6.6
95.08599	100.0
96.08899	3.2
97.06515	7.0
97.10161	11.9
98.21475	1.4
99.08083	2.5
105.07022	23.1
107.04929	1.7
107.07904	3.1
107.08582	42.8
109.06487	5.6
109.10146	57.4
111.08064	10.4
111.11702	8.9
113.09573	1.7
117.07004	2.0
119.08585	17.8
121.10139	27.8
123.08060	4.3
123.11697	42.9
125.09603	3.3
125.13268	3.0
131.08527	4.1
133.10133	10.7
135.08041	4.6
135.11685	22.2
137.13245	18.1
139.11143	4.6
143.08569	2.9
145.10095	4.0
147.07962	2.3
147.11664	19.6
149.13255	21.9
151.07469	2.5
151.11082	1.6
151.14804	5.1
153.12697	4.0
157.10060	2.9
159.11635	3.0
161.13245	12.3
163.14833	15.1
165.12788	4.0
165.16345	1.8
167.14331	3.0
175.14812	4.9
177.16391	9.6
179.14232	2.9
189.16377	5.4
191.18037	4.3
203.17905	7.7
213.12717	2.2
217.19536	6.1
219.21077	2.4
231.13715	2.5
247.24193	3.3
249.14857	2.2
273.18448	5.4
273.25766	21.5
291.19745	14.4
291.26788	67.9
292.27148	4.5
292.32111	1.7
301.57950	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2678
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03928	3.7
54.06888	1.0
54.58344	1.0
55.01856	4.9
55.05272	1.2
55.05507	20.6
56.96550	3.5
57.03417	3.3
57.07069	7.3
67.05501	33.5
69.03413	3.9
69.07061	41.0
69.71342	1.7
69.71749	7.1
70.06577	1.5
71.04972	4.4
71.08596	3.5
79.05484	27.1
81.03413	9.2
81.07047	100.0
82.07358	2.3
83.04964	3.9
83.08606	15.9
84.04498	2.1
85.02861	1.5
85.06540	8.6
91.05475	14.8
93.07033	32.5
93.87660	1.0
95.04954	5.4
95.08596	71.3
97.02911	1.2
97.06528	13.8
97.10178	7.7
98.21333	1.6
98.97553	5.4
99.08069	3.9
105.07014	18.2
107.04949	5.5
107.08581	35.0
109.02854	10.5
109.06506	9.7
109.10146	42.3
110.10487	2.0
110.97579	2.3
111.08067	9.3
111.11697	4.5
112.58315	1.0
115.05455	1.6
116.98615	4.3
117.06990	5.6
119.08572	14.8
121.06522	6.2
121.10130	21.9
123.08038	5.1
123.11693	28.4
125.09595	3.7
127.03799	1.3
128.98575	4.3
129.06964	2.4
131.08543	6.6
133.06508	1.3
133.10115	8.6
134.99590	2.7
135.08047	10.3
135.11688	17.8
137.09604	3.6
137.13258	9.8
139.11163	2.7
143.08569	2.9
145.10146	5.9
146.99664	5.1
147.08090	3.4
147.11681	7.1
149.09605	7.6
149.13242	23.7
151.07510	1.7
151.14758	3.8
153.12714	6.4
157.10132	3.0
157.13147	1.1
159.08080	1.8
159.11659	3.2
161.09619	3.0
161.13202	5.3
163.03896	1.8
163.11150	2.0
163.14815	12.1
165.09079	4.5
165.12703	2.1
167.14316	2.1
170.99666	2.4
171.11653	2.8
173.02332	2.7
175.14815	2.6
177.16342	4.9
180.48622	1.0
185.13216	2.2
189.00729	4.8
189.16306	2.2
191.03387	1.4
191.17995	1.9
203.14359	2.0
203.17929	1.6
207.01611	1.1
215.06998	4.1
217.15863	2.3
217.19482	3.3
227.17868	2.2
231.13849	1.3
235.20563	2.5
249.02879	4.8
249.11073	2.4
249.15204	1.2
255.17509	1.4
255.88441	1.4
273.11166	1.6
273.18466	7.6
273.25714	5.0
274.18732	1.4
291.08765	1.9
291.12320	3.3
291.19528	21.5
291.23245	2.0
291.26773	37.8
292.19772	1.6
292.27084	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2677
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03923	4.1
55.01857	2.4
55.05499	27.0
56.53717	1.2
57.03403	1.3
57.07064	15.2
65.03912	2.5
67.05132	2.0
67.05493	36.7
69.03408	5.3
69.07057	80.1
69.45921	12.0
70.07365	1.2
71.04971	4.2
71.08630	6.5
73.06541	1.4
79.05479	18.8
81.03403	10.0
81.07043	100.0
82.07348	2.1
83.04951	2.1
83.08607	30.4
85.06535	9.9
85.10134	1.7
87.00810	1.4
89.03899	1.3
91.05453	12.0
93.07030	41.2
94.07312	1.8
95.04939	6.0
95.08591	90.3
96.08920	1.5
97.02866	1.4
97.06504	15.4
97.10155	13.2
99.08067	4.7
102.90221	1.1
105.07016	18.4
107.04946	1.5
107.08576	54.4
109.02856	22.6
109.06506	5.5
109.10135	60.5
110.03236	1.1
110.10463	1.3
111.08060	15.8
111.11701	9.3
119.08558	15.0
121.06448	1.5
121.10133	26.7
123.08034	3.2
123.11683	43.7
125.09602	3.8
125.13269	2.2
127.03936	1.2
129.06952	1.8
131.08563	3.3
133.10104	10.0
135.11667	27.9
137.09573	9.0
137.13220	16.8
139.11130	3.6
141.06941	1.5
143.08511	1.7
145.10086	1.5
147.11659	11.5
149.13225	21.5
151.11105	2.0
151.14793	3.9
153.05374	1.5
153.12715	14.8
159.11719	2.4
161.02406	2.2
161.09532	2.2
161.13210	8.6
163.03928	2.0
163.07596	1.5
163.14801	12.4
165.09070	8.5
165.12715	3.8
167.14149	2.4
173.02342	3.9
175.14827	3.3
177.16319	8.1
179.14236	2.1
179.17934	1.8
189.16341	3.8
191.17949	4.0
193.15924	1.4
203.17938	4.4
205.19505	1.3
207.17374	1.4
215.06990	5.4
217.15884	1.6
217.19484	5.4
235.20569	3.3
245.11656	2.4
273.18442	1.4
273.25748	12.5
291.19681	3.2
291.23459	2.8
291.26779	57.8
292.27103	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2314
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
52.05610	1.4
53.03929	5.1
55.05507	18.3
56.46839	1.4
57.07063	2.1
67.05499	37.4
68.73702	1.3
69.07065	17.4
70.71185	3.2
70.71558	2.9
73.06538	2.6
77.03892	2.0
79.05486	70.5
80.13609	1.3
81.07046	48.8
82.69656	1.5
83.08617	10.1
83.17779	1.3
85.06503	2.7
88.79807	1.5
91.05466	28.9
93.07034	100.0
95.04947	8.7
95.08000	2.0
95.08598	36.3
97.06550	1.9
97.10160	5.2
105.04523	1.9
105.07024	15.0
107.08582	54.2
109.06508	4.2
109.10138	12.2
117.07011	4.4
119.08570	15.5
121.10133	48.7
123.11694	3.2
125.09568	2.2
129.06909	2.0
131.08548	7.2
133.10112	15.2
135.07988	2.3
135.11679	53.5
137.09605	2.2
143.08549	2.0
145.10121	4.3
147.11684	10.0
149.09596	4.3
149.13249	35.6
157.10170	3.2
159.11665	4.9
161.09590	2.2
161.13248	7.9
163.11200	2.4
163.14816	13.4
171.11642	3.4
173.13246	2.3
175.14807	6.5
177.12798	4.3
183.45755	1.7
185.13280	3.1
189.12642	1.4
199.14722	3.5
213.16446	2.1
217.19478	2.4
221.15427	2.1
231.17311	1.9
235.16911	1.9
241.19444	5.0
249.18401	2.1
259.20547	8.0
291.23151	60.5
291.26477	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.09337	1.1
55.01855	2.9
55.05505	10.3
57.03419	2.3
57.07050	4.6
59.04972	1.5
65.44788	1.2
67.05502	11.3
69.03423	3.5
69.07058	17.7
71.04984	3.0
71.41488	2.4
79.05481	16.0
81.07047	23.0
83.04962	4.4
83.08616	7.9
85.06514	1.8
87.04488	1.5
91.05471	11.3
93.07029	29.4
95.04961	5.4
95.08594	21.0
97.06502	5.3
97.10149	3.8
105.07023	22.0
107.04932	4.9
107.08580	23.5
109.06510	27.0
109.10149	11.1
111.08031	3.7
111.11691	4.5
117.06972	2.2
119.08567	11.1
121.06493	3.0
121.10133	45.9
122.10459	1.8
123.08064	7.0
123.11680	7.1
125.09642	6.5
129.06995	2.4
131.08546	8.3
133.06496	3.0
133.10124	7.5
135.08063	12.2
135.11665	2.9
137.09572	3.7
139.11153	3.2
142.07713	1.4
143.08519	4.1
145.10074	5.7
147.07983	2.8
147.11673	5.7
149.09586	16.1
149.13231	4.1
151.07526	5.7
151.14798	1.4
153.05473	1.7
153.09187	1.2
156.09329	3.1
157.10071	7.5
159.08075	3.3
161.09608	2.7
161.13248	3.0
163.11140	1.6
163.14774	2.4
167.10664	100.0
168.10962	1.5
171.11667	2.2
173.09578	2.4
173.13260	8.2
175.11174	4.7
187.14832	2.3
189.12709	5.2
191.10667	9.4
191.14301	6.1
197.13234	1.6
207.13806	1.9
211.14847	1.3
213.16290	2.4
215.14331	6.1
217.12234	2.2
217.15782	1.7
231.17422	2.3
233.15329	16.9
249.18463	1.8
255.17403	4.3
273.18518	9.3
273.25717	3.6
291.19525	23.2
291.26807	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03926	0.8
55.01869	1.9
55.05505	7.4
57.03421	0.6
57.07058	0.3
59.04950	0.2
65.03915	0.3
67.05494	4.4
69.03410	1.0
69.07059	3.2
69.25557	0.3
70.35401	0.7
70.35825	0.5
71.04967	0.7
79.05483	6.5
80.59864	0.2
80.71396	0.2
81.03392	0.9
81.06596	0.4
81.07044	6.5
83.04958	1.3
83.08608	3.0
85.06555	0.3
91.05466	6.8
91.83938	0.2
92.06262	0.3
93.07029	6.0
94.04159	0.3
95.04949	2.7
95.08601	3.6
97.02894	0.3
97.06513	0.9
97.10165	3.4
103.05447	0.6
105.06331	0.4
105.07018	6.7
106.22263	0.2
107.04934	2.8
107.08582	3.3
108.05719	0.4
109.06493	1.0
109.10145	0.8
111.08059	0.7
111.15722	0.2
115.05404	0.6
116.06248	0.5
117.07003	2.4
119.04911	1.3
119.08568	4.9
120.05751	0.4
121.06502	2.1
121.10125	1.3
123.08033	1.1
123.11666	0.3
125.09598	1.3
128.06216	0.2
129.06993	1.3
130.07758	0.6
131.08562	3.7
133.06474	3.3
133.10117	1.7
134.07294	1.2
135.08020	1.0
135.11697	0.5
137.09543	0.5
141.07034	0.3
142.07806	0.3
143.08551	1.3
145.06415	0.4
145.10097	2.5
147.08035	3.7
147.11658	0.9
149.09598	0.9
149.13176	0.3
151.07539	0.4
157.10104	0.9
159.08054	0.4
159.11674	0.8
161.09610	1.3
161.13232	0.4
162.10399	1.2
163.11191	0.9
165.09129	0.3
171.11671	0.8
173.09608	0.3
173.13274	0.3
175.11212	1.1
185.13306	0.5
189.11194	0.5
191.60439	0.3
203.14128	0.6
207.13785	0.5
223.13254	0.8
224.00366	0.2
245.19017	0.4
249.14799	2.2
261.14954	0.7
273.18500	2.5
291.19501	100.0
292.19858	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03928	3.2
55.01625	1.7
55.01867	22.3
55.05508	9.9
56.05021	1.8
57.03429	18.0
57.07066	2.1
58.06591	1.9
58.07382	1.1
58.26250	0.9
65.03929	3.1
67.05496	27.3
69.03421	2.4
69.07048	4.4
69.52849	9.8
71.04972	1.9
74.06084	2.7
79.05488	39.4
81.03407	1.1
81.07052	18.6
83.04973	1.1
83.08614	3.8
85.06529	3.2
86.67525	1.1
88.07622	7.6
89.07951	2.0
91.05475	28.4
93.07038	21.3
95.04392	1.6
95.04964	21.8
95.05572	1.2
95.08595	9.1
96.21435	1.3
97.06537	2.9
97.10168	1.6
105.07020	16.3
107.04951	12.9
107.08585	24.6
107.66940	1.0
109.06508	63.8
109.10147	3.5
110.06839	0.9
111.08066	2.2
113.06012	2.0
115.05431	3.0
116.06229	1.7
117.06994	13.6
118.08620	1.3
119.08537	6.9
121.06487	3.3
121.10131	6.0
123.08093	2.2
128.06195	1.8
129.06993	7.0
131.08563	14.1
133.06499	2.4
133.10124	4.8
135.08041	100.0
135.11684	3.8
136.08345	1.5
141.43864	1.0
143.08521	7.3
145.10101	9.1
147.08044	4.5
147.11671	2.1
149.09595	7.0
149.13251	1.4
151.07553	1.0
155.00964	1.1
157.10114	6.6
159.08000	1.5
159.11711	4.3
161.09613	9.6
163.11105	1.6
165.72632	1.0
169.10158	1.2
171.11702	3.4
173.13234	2.1
175.11147	2.7
177.12756	1.8
183.11659	2.4
185.13271	2.7
187.11226	1.1
189.12714	1.2
195.11729	1.4
195.13710	1.5
199.11159	1.3
199.14819	3.5
201.12804	2.1
217.15868	16.5
227.17949	1.9
237.16330	1.3
243.25105	10.8
245.18945	1.5
255.17429	3.7
273.18469	19.3
291.19574	33.0
291.27179	29.0
292.19678	1.5
307.58316	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.46838	3.2
53.03943	6.4
55.01851	14.8
55.05508	46.7
57.03420	11.6
63.41949	3.1
67.05499	40.2
69.03421	5.0
69.07069	19.1
70.34210	7.6
70.34607	5.2
71.04974	7.0
79.05486	73.4
81.07050	76.1
83.04948	7.1
83.08618	18.8
85.06500	5.0
91.05475	69.8
91.53879	2.7
93.07041	59.9
95.04961	23.8
95.08597	32.3
97.06510	8.3
97.10163	15.6
103.05466	4.2
105.07019	59.6
107.04936	14.6
107.08587	31.6
109.06493	27.6
109.10139	10.7
111.08073	46.6
115.05456	4.2
116.06264	4.4
117.06998	40.0
119.08566	56.9
121.06496	19.3
121.10110	15.4
123.08070	26.0
125.09615	8.1
128.06239	9.1
129.06984	18.6
130.07779	4.1
131.08546	45.9
132.65005	3.3
133.06473	13.4
133.10114	16.6
135.08035	32.7
135.11658	9.9
137.09607	7.9
139.11252	3.6
142.07739	5.3
143.08536	33.7
145.10118	48.8
147.08029	35.5
147.11678	7.9
149.09599	15.2
151.07529	62.3
157.10110	20.2
159.08034	5.1
159.11664	15.8
161.09581	14.9
163.11156	9.9
171.11639	10.9
173.09656	4.2
173.13336	6.4
175.11188	9.6
177.09059	5.0
179.10648	4.3
183.11618	5.3
185.13197	4.7
189.11168	6.2
189.12671	21.6
192.11411	3.9
195.11684	4.7
197.11681	9.0
199.14893	4.6
203.14238	5.8
207.13802	47.9
217.12428	4.4
217.15874	10.6
231.17430	3.8
233.15303	4.9
237.16393	5.1
245.18935	3.9
249.14827	12.0
255.17419	9.1
272.22153	3.4
273.18463	61.8
274.18787	5.0
291.19519	100.0
301.02292	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.05504	8.0
57.07048	2.1
59.04963	2.3
67.05479	4.5
69.01500	1.2
71.04976	2.8
71.19984	2.2
79.05466	5.0
81.07026	6.9
83.04955	3.5
83.08602	7.4
85.06510	2.5
91.05449	6.2
93.07026	10.5
95.04956	5.6
95.08583	14.6
97.06525	4.7
105.07022	8.4
107.04942	12.4
107.08547	7.5
109.06517	7.1
109.10111	2.3
111.08066	41.8
113.09625	2.9
117.06949	1.6
119.08560	9.5
121.06466	1.7
121.10106	5.0
122.07256	2.2
123.08051	31.4
125.09611	1.8
129.07101	1.3
131.08540	5.3
133.06454	2.8
133.10117	8.3
135.08031	4.0
135.11690	2.6
137.09642	1.9
143.08504	2.2
145.10109	4.1
147.08034	3.2
147.11661	5.2
149.09648	7.4
151.07524	100.0
152.07800	1.6
155.10692	1.9
157.10086	5.6
159.07996	2.8
161.09547	4.6
163.11218	3.9
167.10551	2.1
169.12263	1.8
171.11638	3.1
173.09669	1.4
173.13202	6.6
175.11143	3.5
177.09138	2.5
179.10605	4.7
181.12239	2.1
189.12727	27.3
191.14302	12.1
192.11426	3.5
197.11705	12.3
197.13300	2.9
199.11148	1.5
199.63786	1.3
207.13777	65.7
208.14111	1.9
213.16302	2.0
215.14281	3.4
217.12074	2.2
231.17354	2.2
233.15331	31.8
249.18448	1.7
255.17474	2.2
273.18463	6.7
291.19495	45.0
292.19986	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.05482	3.8
57.07053	1.3
59.04980	2.3
66.16261	0.8
67.05479	3.9
69.03412	1.2
70.09473	5.7
71.04967	3.1
79.05477	3.1
81.07043	7.0
83.04968	1.6
83.08599	2.8
85.06512	2.4
91.05458	3.2
93.07024	7.3
95.04952	3.7
95.08593	9.8
97.06519	2.3
105.07010	10.7
107.04945	3.9
107.08575	4.5
109.06528	5.3
109.10146	2.8
111.08067	21.7
113.09645	1.4
117.06985	1.8
119.08566	6.8
121.06466	2.6
121.10114	5.2
123.08058	33.0
125.09615	1.2
131.08572	4.8
133.06456	2.9
133.10110	8.5
135.08020	4.4
135.11674	1.7
137.09601	3.3
141.05498	1.1
142.07764	1.1
143.08563	2.3
145.10112	10.1
145.35832	1.0
147.08022	2.5
147.11674	5.1
149.09590	3.3
150.29427	1.0
151.07524	100.0
152.07823	1.5
156.09291	1.3
157.10118	3.0
159.08052	1.9
159.11629	2.9
161.09631	3.7
161.13187	1.0
162.19258	0.9
163.11139	3.6
171.11676	2.3
173.09570	2.0
173.13242	3.8
174.10428	1.9
175.11182	3.8
177.09120	1.8
177.12743	1.3
179.10651	5.0
185.13257	1.5
187.11060	2.2
187.14948	1.3
189.12712	30.3
191.14307	3.1
192.11440	4.5
197.11714	13.3
197.13301	1.6
203.14209	1.4
207.13777	65.4
208.14076	1.5
213.16406	2.0
215.14259	1.4
217.12183	3.7
231.17398	2.5
233.15346	10.6
235.13055	1.3
255.17429	2.3
273.18433	6.6
291.19495	36.2
292.19839	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03946	4.0
54.40755	2.3
55.01867	17.6
55.05506	17.0
57.03432	12.6
57.07058	5.7
59.24399	2.1
67.05499	26.7
68.89713	1.9
69.03397	4.8
69.07055	11.0
70.06574	7.2
70.34224	3.4
70.34621	4.3
71.04967	6.4
71.06910	3.9
75.01759	2.0
77.03913	2.0
79.05486	40.2
81.03404	2.8
81.07049	37.0
83.04975	6.4
83.08622	10.5
85.06509	4.1
88.07634	10.2
89.07938	3.1
91.05466	26.8
93.07037	28.8
95.04953	16.7
95.08596	23.5
97.06517	12.5
97.10178	3.8
99.11990	2.2
102.09146	3.4
105.07010	31.2
107.04938	16.6
107.08592	27.3
109.06512	48.0
109.10149	12.9
111.08060	36.7
117.07015	12.3
119.08576	21.3
121.06484	8.3
121.07942	2.0
121.10115	14.8
123.08060	38.2
123.11691	4.5
128.06218	4.6
129.06985	8.1
130.07762	3.1
131.08556	17.2
133.06453	7.2
133.10114	15.9
135.08049	58.5
135.11676	9.1
137.09581	6.0
142.07756	2.6
143.08528	6.4
145.10097	22.5
147.08043	9.7
147.11667	8.5
149.09579	14.5
149.13223	4.7
151.07524	100.0
152.07887	2.9
155.08708	2.6
156.09343	2.9
157.10101	10.0
159.08034	3.3
159.11670	6.7
161.09552	11.7
161.13275	6.2
163.11189	8.4
163.14894	3.3
165.09135	3.7
167.10666	2.5
171.11665	8.9
173.09621	2.6
173.13248	6.2
175.11159	8.1
177.09216	2.8
179.10707	7.2
185.13222	3.1
187.11162	4.0
189.12744	27.7
191.14253	8.7
192.11424	4.3
197.11682	16.4
197.13249	3.5
199.11267	2.7
199.14742	2.5
201.12761	2.4
203.14459	2.2
207.13789	68.7
213.12738	3.7
213.16319	3.3
217.12283	5.8
217.15854	11.1
227.17795	2.2
229.23546	24.7
231.13792	3.4
231.17459	3.4
233.15334	19.6
237.16484	3.4
245.19075	2.1
255.17429	6.6
273.18478	24.9
273.26004	3.3
291.19537	77.2
291.27148	64.8
292.19873	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55912	0.5
55.05501	0.9
56.96555	1.2
61.01144	17.8
67.05502	0.9
68.98985	0.5
69.07078	0.8
70.06587	1.3
71.74117	0.8
72.08146	1.0
79.05491	0.8
81.07039	1.4
82.45409	0.6
83.04987	0.6
83.08630	0.7
83.38468	0.7
84.04481	1.3
84.08136	89.5
85.08479	0.7
86.09712	1.2
91.05469	0.6
93.07021	0.9
95.08606	0.7
97.06542	0.6
98.97550	0.6
98.98458	0.8
105.07009	1.3
107.08601	0.5
116.98611	0.8
117.06947	0.7
119.08582	1.4
128.98593	0.7
131.08586	0.7
132.08418	100.0
133.08731	0.8
139.01517	0.6
143.08533	1.2
157.10075	0.6
198.11192	1.0
203.14250	0.9
213.53737	0.6
215.13861	1.1
232.36890	0.6
246.11494	0.9
247.17224	1.3
273.12411	0.9
291.13721	0.7
291.17334	13.1
291.20319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.00290	0.9
53.03933	3.2
55.01863	10.4
55.05503	25.3
57.03415	3.0
57.07053	3.3
58.07404	1.0
62.31267	0.9
64.19373	1.0
65.03945	1.0
67.05495	26.7
69.03429	7.1
69.07054	11.3
70.06573	3.3
70.10760	5.9
71.04973	2.9
71.06927	1.6
79.05483	37.4
81.03416	4.9
81.07047	43.2
83.04969	3.5
83.08607	12.2
88.07635	4.8
89.07948	2.3
91.05466	26.0
93.07034	28.8
95.04955	22.8
95.08592	16.3
97.06515	3.0
97.10158	11.4
98.20804	1.5
102.09165	4.0
103.05484	2.0
103.09523	1.9
105.03369	2.1
105.07011	19.3
107.04942	9.4
107.08579	14.0
109.06478	5.6
109.10136	10.2
111.08038	3.1
115.05428	2.2
116.06185	1.3
116.13979	1.0
117.07005	18.4
119.04931	2.7
119.08556	29.6
120.83597	0.9
121.06472	13.3
121.10107	8.7
123.08054	21.9
123.11694	1.2
125.09612	12.4
128.06262	1.6
129.06998	8.9
130.07820	1.1
131.04909	1.0
131.08566	12.4
133.06468	4.7
133.10106	7.1
135.08063	8.2
135.11688	4.4
137.09602	7.3
139.11154	1.4
142.07707	1.2
143.08549	7.8
145.06458	1.6
145.10109	16.9
147.08028	21.8
147.11674	3.3
149.09595	7.6
149.13324	1.2
151.07491	1.8
153.09099	2.8
155.08548	1.4
157.08987	1.0
157.10101	5.9
159.08047	2.8
159.11665	4.5
161.09578	7.2
163.11128	9.4
165.09087	9.7
169.10117	2.3
171.08031	1.2
171.10262	1.0
171.11678	3.9
173.09662	2.1
175.11179	3.0
185.13203	3.1
187.11145	1.8
187.13164	1.4
189.11206	6.7
189.12730	2.2
193.12221	2.5
195.11618	1.7
199.11151	1.4
213.12634	1.1
215.88245	1.0
223.13213	4.8
227.17873	3.0
228.23216	1.6
229.23584	12.9
231.13751	1.8
237.16353	2.6
245.18925	2.9
249.14848	7.6
249.73921	1.2
255.17392	7.0
263.20322	1.4
273.18451	39.4
291.19522	100.0
291.27130	33.9
292.19827	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.2
55.01863	3.0
55.05501	13.9
56.72506	1.7
57.03405	2.4
57.07076	3.7
61.02905	2.6
63.59861	1.7
65.03910	2.6
67.05495	51.3
68.99775	4.6
69.03418	3.9
69.07048	4.2
71.04971	5.8
71.74644	2.2
73.02892	2.8
77.39563	1.6
79.05482	11.5
81.03385	5.1
81.07042	100.0
82.07399	1.9
83.04943	3.2
83.08592	3.7
84.04488	25.6
85.02894	6.8
85.04328	1.9
85.04815	13.7
85.06525	9.7
86.03213	2.1
87.00816	22.1
91.05465	13.1
93.07021	9.2
95.04946	5.6
95.08591	7.4
97.06542	3.8
97.10155	3.0
103.03889	3.4
104.04212	2.5
105.01835	5.9
105.07006	12.1
106.59011	1.9
107.08578	6.7
109.02863	16.5
109.06490	6.2
109.10120	8.5
111.08056	1.9
117.07023	3.0
118.06539	3.9
121.10123	4.1
123.11692	58.4
126.05460	2.6
127.05808	4.2
131.08530	4.3
133.10106	20.0
137.09587	3.8
141.12701	26.2
143.08556	3.2
145.10135	2.8
147.04407	8.8
151.11160	37.1
157.10101	2.5
159.13724	4.4
162.09224	2.5
165.09134	4.3
169.12206	5.7
172.28157	1.8
173.02390	2.3
175.03902	2.3
187.11700	1.9
187.13216	9.5
203.03348	18.3
227.12772	2.5
229.05034	3.7
230.15300	2.9
231.02832	19.8
275.03683	1.9
291.04761	2.7
291.09238	4.6
291.12259	2.3
291.19531	4.2
292.18994	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92599	0.8
53.03937	3.2
55.01861	2.4
55.05511	6.4
57.03439	5.5
57.07077	1.7
59.04995	2.2
61.02929	2.6
67.05509	7.2
69.03413	2.1
69.07064	46.3
70.19437	4.4
71.04973	2.0
71.08627	0.9
79.05482	15.2
81.03413	3.6
81.07050	13.5
83.08611	3.1
85.06528	2.3
87.08112	1.4
89.03895	5.4
91.05476	2.2
93.07042	5.2
95.04956	2.5
95.08608	10.1
97.06525	63.3
97.10164	1.2
97.44409	0.9
105.07009	3.9
107.04948	2.4
107.08573	5.3
109.02872	8.0
109.06538	1.0
109.10159	5.4
111.08080	5.4
111.11697	4.1
112.08846	0.9
117.03354	6.3
119.04978	0.9
119.08553	2.4
121.10148	4.1
123.11706	3.7
129.07030	1.1
129.09126	4.1
131.04929	1.4
131.08548	1.5
133.02838	5.2
133.10162	1.4
134.03693	0.8
135.04396	8.2
135.11690	1.7
137.09621	2.7
137.13246	2.3
139.11194	3.3
145.02841	6.2
147.11705	2.0
149.13226	2.2
159.04384	8.4
161.02328	33.8
161.13260	1.7
163.03891	41.4
163.14824	1.6
165.09172	1.5
173.02332	75.2
174.02734	1.4
175.03984	1.0
185.05965	2.5
187.03909	1.8
187.07582	0.9
191.03371	1.5
197.05969	1.2
199.03938	0.9
211.25998	0.8
215.07018	100.0
216.07402	1.3
233.08015	1.8
241.08543	4.4
259.09698	6.8
273.11246	1.5
273.25787	1.9
291.12234	3.5
291.19629	1.7
291.26727	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36971	1.3
53.03934	3.5
54.53729	1.3
55.01867	8.0
55.05505	11.8
57.03433	7.8
57.07051	3.7
59.05005	1.2
61.02909	2.8
66.52187	1.2
66.77508	1.1
67.05495	19.2
69.03410	3.8
69.06679	2.8
69.07058	50.4
69.83357	8.2
70.06602	1.6
71.04970	7.4
71.08617	1.4
79.05485	35.3
81.03402	7.3
81.06597	2.6
81.07046	39.3
83.04977	3.0
83.08611	7.9
84.04462	1.8
85.06525	5.3
87.08062	1.5
89.03902	5.7
91.05456	11.9
93.07035	17.0
95.04954	9.3
95.08598	29.0
95.17827	1.2
97.06517	70.5
97.10137	3.1
98.21383	2.4
98.98477	2.3
99.08080	2.4
103.05453	1.7
104.27013	1.4
105.03327	1.4
105.07009	15.4
107.04935	4.9
107.08577	17.0
109.02865	13.1
109.06543	6.8
109.10147	17.0
111.08082	14.2
111.11685	2.3
112.08865	2.4
115.05469	1.9
116.19196	1.5
117.03365	6.9
117.07004	4.1
119.08562	11.9
121.06480	3.8
121.10122	10.7
123.08023	4.5
123.11686	13.9
125.09623	1.6
128.06238	2.9
129.06984	3.7
129.09082	4.4
131.04860	2.2
131.08514	6.8
133.02855	8.9
133.06471	2.1
133.10141	6.5
135.04387	13.3
135.08022	3.6
135.11655	7.8
137.09602	4.9
137.13216	5.2
139.11169	1.5
141.06894	2.0
142.07748	1.9
143.08525	3.8
145.02872	6.8
145.06458	2.2
145.10104	4.4
147.04376	3.1
147.08043	3.0
147.11659	5.1
149.09532	3.0
149.13235	7.7
151.07458	3.7
151.14706	1.4
153.05431	3.1
153.12727	2.0
156.09337	1.5
157.10078	2.9
159.04410	4.7
159.08086	3.1
159.11668	3.9
161.02342	10.1
161.09567	3.0
161.13280	3.4
162.03046	1.5
163.03891	46.2
163.14790	5.2
165.09096	4.3
167.08549	2.2
171.08018	1.4
171.11638	1.8
173.02330	100.0
174.02725	2.4
175.03947	1.5
175.11163	1.3
175.14803	2.9
177.05464	6.6
179.03384	2.2
179.33754	1.4
185.05995	4.4
185.09663	1.8
185.13217	3.9
187.03871	2.2
187.14758	1.8
191.03358	11.3
195.08060	4.2
197.05960	1.8
199.03885	2.6
201.05591	3.2
203.14316	3.0
203.17924	1.6
205.04962	2.5
207.13800	2.7
213.05400	2.3
213.09026	2.9
213.12743	3.2
215.07010	95.4
216.07526	3.2
217.04941	5.9
217.19493	2.4
223.07587	2.1
231.06485	2.7
231.13728	3.1
233.08086	7.3
241.08586	31.9
249.11198	5.1
259.09653	27.1
263.07083	1.3
272.08054	1.3
273.11163	21.4
273.18469	5.6
273.25677	3.5
291.08884	2.6
291.12717	7.7
291.16156	2.8
291.19443	13.7
291.22598	2.0
291.23590	2.2
291.26733	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27293	1.3
53.03951	2.8
55.01860	4.0
55.05505	9.7
57.03433	7.7
57.07061	2.7
59.04992	1.9
60.04524	1.0
60.54985	1.1
61.02917	4.4
67.05495	13.8
69.03417	2.3
69.07060	47.8
70.29826	1.2
71.04983	1.9
71.08627	1.8
71.09761	3.5
79.05482	22.9
81.03404	3.7
81.07046	38.6
83.04990	1.4
83.08610	5.6
84.04498	9.1
85.02908	2.5
85.04836	4.9
85.06529	3.9
89.03912	5.1
91.05478	7.4
93.07023	14.0
95.04955	4.4
95.08598	25.0
97.06519	86.7
97.10181	3.3
99.08062	1.3
103.03958	1.9
103.05421	1.3
104.25408	1.4
105.07018	8.2
107.04958	3.4
107.08582	13.7
109.02884	4.7
109.06500	3.0
109.10139	14.5
111.08070	6.3
111.11698	2.2
115.05432	1.5
117.03369	6.3
117.07003	1.2
119.04916	1.5
119.08582	7.1
121.06476	3.2
121.10120	8.8
123.08081	1.7
123.11697	10.4
127.05865	1.6
128.06206	1.5
129.06970	2.3
129.09120	5.3
131.08559	4.1
133.02872	6.2
133.10112	3.0
134.10468	1.1
135.04414	8.2
135.08058	3.6
135.11665	6.7
137.09630	2.3
137.13251	5.7
141.07018	2.0
143.08568	1.8
145.02794	8.0
145.10109	2.6
147.04393	2.6
147.08020	1.3
147.11717	3.6
149.09622	5.2
149.13231	7.9
151.14883	1.5
153.12825	1.5
157.10133	1.8
159.04358	10.1
159.08057	1.5
161.02322	35.2
161.09639	1.7
161.13353	1.5
163.03891	43.3
163.14825	3.4
171.11652	1.5
173.02335	73.8
177.05585	1.5
177.16397	3.2
185.05952	3.9
185.09665	1.3
187.03842	2.1
187.07503	1.5
189.16243	1.5
191.03389	2.7
215.07011	100.0
216.07466	2.6
217.40718	1.1
231.02829	1.7
233.08110	3.1
239.28802	1.1
241.08643	3.7
245.18719	1.2
259.09698	9.2
273.08020	1.3
273.18500	4.0
273.25739	2.0
291.09323	2.3
291.12332	5.3
291.19571	12.5
291.26694	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22203	0.6
53.03941	1.7
55.01858	2.8
55.05499	4.8
57.03424	4.1
59.04984	2.1
61.02912	3.6
67.05491	4.7
69.03383	1.3
69.07058	33.8
70.35423	1.2
70.35839	2.4
71.04975	1.3
77.03900	0.9
79.05484	15.8
81.03407	2.5
81.07048	9.3
83.08607	1.5
85.06517	2.0
87.08100	1.3
89.03905	5.8
91.05466	2.1
93.07034	2.0
93.76070	0.7
95.04964	1.9
95.08588	5.6
97.06516	89.9
98.06868	1.0
105.03372	1.4
105.07014	1.6
107.04942	2.3
107.08582	2.6
109.02852	3.6
109.10159	3.6
111.08083	3.5
117.03371	7.6
121.10120	1.6
123.11686	1.1
129.03401	0.6
129.07002	0.9
129.09100	2.6
131.04848	0.9
131.08571	0.9
133.02831	6.1
135.04399	10.2
135.11707	0.9
137.05975	1.1
137.09578	1.7
145.02838	8.1
145.06465	0.8
147.04384	1.6
149.13251	0.8
153.12698	0.9
157.06505	1.1
159.04399	10.3
159.08179	0.8
161.02316	32.0
161.03653	1.6
163.03880	51.5
163.14725	1.1
164.04199	1.1
173.02322	69.2
176.57301	0.6
185.05904	4.3
186.03075	2.3
187.03952	1.1
187.07539	1.7
191.03345	1.4
197.05943	1.1
213.09093	1.1
215.06999	100.0
216.07335	1.7
233.08061	1.8
241.08572	7.8
249.54242	0.8
259.09634	7.4
273.11008	1.0
291.12201	5.6
291.26724	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	15.8
56.96556	84.9
57.03445	11.1
59.59740	8.7
69.03423	12.6
70.06579	16.3
70.63318	29.1
72.08138	8.8
72.76889	8.2
78.01204	9.8
79.05494	12.6
81.03429	11.7
81.07045	14.8
84.08121	19.0
84.96011	10.8
85.02892	28.4
91.05459	22.1
93.07034	19.0
95.08609	16.6
97.02866	17.7
98.97553	100.0
98.98179	8.5
98.98485	12.1
101.86034	8.5
103.02431	9.4
104.18331	8.1
105.07008	18.6
107.08585	14.1
111.03619	8.1
116.98613	93.0
119.01893	37.2
119.08572	12.4
121.01609	9.9
121.03491	12.1
128.98553	16.6
129.10196	13.9
130.06462	12.4
131.01865	16.3
133.01706	15.1
134.99648	62.1
136.06186	32.3
143.00143	22.4
143.08539	13.0
145.03477	9.8
145.10046	9.8
146.99640	32.2
151.02728	11.7
157.10132	14.3
158.99654	27.2
159.11649	10.4
161.01225	48.3
161.02917	16.2
163.02631	12.8
170.99582	14.5
173.02925	20.9
175.14954	15.0
177.00708	47.2
179.02228	14.1
185.13203	12.7
189.00702	25.7
189.02441	27.0
189.04259	17.0
193.00117	12.1
195.01750	13.7
207.03531	9.5
209.03194	11.0
213.00633	10.1
219.01680	19.8
223.01212	11.1
231.01503	18.0
231.03540	16.6
233.60588	8.7
237.02818	39.7
243.67636	8.9
249.02702	19.2
291.04053	14.8
291.08414	84.1
291.19904	9.9
292.08820	10.2
309.05054	19.1
309.08646	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1746
Annotation	Mesembrine
Peak:m/z	Relative Intensity
55.05495	1.1
56.05013	1.7
56.96546	0.6
57.07063	2.0
58.06604	1.0
62.79028	0.4
65.03944	2.1
67.05492	6.8
68.75684	0.4
69.07061	4.1
70.33250	1.7
71.08603	0.8
74.06063	2.2
77.29957	0.4
79.05473	1.9
81.07036	1.6
82.06579	2.6
83.04939	0.6
83.08594	0.6
86.06017	0.4
88.07613	7.3
91.05478	1.2
93.03398	1.2
93.07035	3.3
95.04929	0.7
95.08590	1.4
97.06504	1.8
105.07037	0.9
107.08570	2.5
109.10149	0.9
110.06027	25.5
111.04429	11.2
111.08121	0.5
117.06988	0.5
118.08650	1.0
119.08559	0.9
122.08095	1.0
123.04419	1.9
126.09021	0.4
132.08926	0.4
133.10121	0.6
135.08018	0.5
135.11667	3.0
138.05481	100.0
139.05817	1.0
145.06464	1.0
145.10120	0.7
163.07547	1.8
169.09750	0.6
171.08028	0.5
175.07555	0.7
177.09042	0.6
178.09387	0.6
184.12018	1.1
202.12936	0.5
211.68945	0.5
226.11166	2.0
228.23268	0.8
230.12587	1.8
242.24742	7.8
244.12202	1.1
264.10330	0.5
273.14841	0.4
290.17572	5.6
290.26877	21.1
290.29572	1.0
290.60126	0.5
291.19516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
53.23335	0.6
55.01863	0.7
55.05498	1.1
55.60530	0.6
56.05030	2.8
57.03421	2.9
60.04507	1.1
61.02920	3.0
63.26338	0.6
67.05470	1.0
68.05033	0.6
68.74751	0.6
68.99786	4.3
69.03417	2.4
69.62360	5.0
70.06591	1.2
71.04984	0.7
72.04524	1.1
73.02901	3.1
73.72041	0.5
79.05476	0.6
80.87912	0.6
81.03396	3.4
81.07061	1.4
84.04496	100.0
85.02895	14.2
85.04869	0.8
87.00813	6.6
91.05482	0.7
93.07033	1.2
95.05009	0.8
96.04476	1.6
97.02871	3.2
98.06032	3.0
99.04431	1.3
103.03930	13.8
105.01849	2.4
105.07000	0.7
107.08573	0.9
108.04480	2.4
109.02872	3.6
109.10161	1.0
111.14255	0.6
117.06966	0.7
119.04945	0.7
126.05505	23.5
127.03907	3.5
129.01822	5.9
129.06795	0.7
144.06511	0.8
144.13795	0.9
145.04947	0.6
147.02899	4.9
147.04346	1.1
149.13327	0.9
156.06563	1.4
168.06555	7.1
169.04912	0.7
171.02890	1.7
184.12035	1.2
186.07632	2.7
189.03941	5.2
191.00162	0.6
204.08696	2.5
212.05568	0.8
213.03783	0.6
215.07112	0.7
228.08636	1.4
230.12616	0.9
272.07590	3.5
290.06171	1.6
290.08774	11.8
290.11746	0.7
290.18066	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
55.05508	0.8
56.05038	2.7
57.03436	2.7
60.04510	2.3
61.02924	2.8
68.99790	2.9
69.03421	1.4
69.07028	0.7
70.06588	0.9
70.69424	0.8
73.02901	2.4
79.05509	0.7
81.03401	3.4
81.07053	2.0
83.01344	0.6
84.04493	100.0
85.02891	14.7
87.00819	5.5
91.05472	0.6
93.07024	1.0
95.08624	0.6
95.54830	0.5
96.04485	1.2
97.02885	3.2
98.06045	4.1
98.21356	0.6
99.04444	0.6
100.04001	0.6
103.03918	16.5
105.01852	3.4
105.06995	0.9
107.08623	1.1
108.04468	2.2
109.02843	3.9
109.10148	0.7
110.06024	1.2
115.96294	0.5
117.32446	0.6
119.08591	0.8
126.05496	23.4
127.03901	3.7
129.01814	5.9
131.08592	0.5
137.05989	1.3
144.06508	0.6
147.02847	3.4
150.05521	0.9
150.13528	0.6
156.06544	0.9
168.06549	8.1
169.04985	0.7
171.02881	1.3
184.12013	1.2
185.11975	0.6
185.58528	0.7
186.07642	2.5
189.03906	5.0
204.08672	3.6
212.05534	1.2
215.07068	0.6
230.06645	0.6
230.12520	1.1
272.07599	4.3
290.06284	1.7
290.08826	13.4
290.18384	0.6
290.25540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.01860	0.7
55.05497	1.1
56.05037	3.1
57.03430	2.3
60.04511	1.4
61.02925	4.0
67.05478	0.9
68.99784	4.0
69.03408	1.5
69.07059	0.7
69.18874	0.4
70.06567	1.3
71.04977	0.5
71.75282	0.7
71.75653	0.5
72.04499	1.0
73.02918	2.8
74.15002	0.4
78.06554	0.4
79.05456	0.4
80.05035	1.0
81.03405	3.4
81.07064	1.1
84.04494	100.0
85.02895	15.7
85.04844	0.5
87.00818	6.7
91.05470	0.6
93.07034	0.4
93.45243	0.4
93.95731	0.4
95.08599	0.8
96.04466	1.5
97.02895	3.7
97.06485	0.5
97.19356	0.3
98.06030	4.0
99.04443	1.5
103.03931	16.0
105.01858	2.5
105.06989	0.5
107.08554	0.6
108.04490	1.9
109.02879	3.5
109.06543	0.5
110.06033	1.1
112.03976	0.6
118.06518	0.9
122.06001	0.6
126.05498	23.5
127.03922	2.5
129.01814	6.1
131.08565	0.5
140.07024	0.5
143.08685	0.4
144.06563	1.1
147.02879	3.2
149.10677	0.4
150.05481	0.7
156.06569	1.9
162.59297	0.4
168.06570	8.0
169.05048	0.6
171.02956	1.4
176.14325	3.8
184.11989	1.0
186.07631	3.2
189.03923	5.0
204.08693	3.1
212.05562	1.1
213.04112	0.5
228.08682	1.2
229.22412	0.4
230.06604	0.7
272.07587	4.2
290.05518	1.0
290.08624	12.7
290.18375	0.7
290.21149	3.8
290.26718	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70376	0.5
53.03939	0.7
55.05497	1.9
56.05024	1.6
56.96549	0.9
57.03416	2.3
59.32629	0.5
60.04512	1.4
61.02924	4.2
67.05495	1.3
68.05023	0.6
68.99778	3.8
69.03418	1.9
69.07052	1.5
69.98635	0.5
70.06591	0.9
71.04961	0.9
71.74673	0.6
72.04513	0.9
73.02907	2.0
74.06065	0.6
75.04467	0.6
79.05481	1.2
80.05000	0.7
81.03408	3.7
81.07032	2.4
82.07375	0.7
84.04496	100.0
85.02898	14.3
85.04836	0.6
87.00824	6.2
93.07054	1.4
95.08604	1.6
96.04501	1.8
96.05302	0.5
96.08899	0.6
97.02887	2.4
97.06525	0.9
98.06027	3.2
99.04443	1.0
100.03959	0.8
100.11227	0.8
102.05631	0.5
103.03932	14.8
105.01833	2.8
105.07061	1.1
106.84807	0.5
107.08598	1.6
108.04471	1.8
108.08896	0.6
109.02855	3.4
109.06493	0.7
109.10168	1.0
110.06032	1.0
110.10473	0.6
111.04398	0.6
119.08549	0.5
121.06545	0.6
121.10143	0.7
123.11707	0.9
126.05509	22.2
126.06443	1.1
127.03935	2.5
128.98579	0.5
129.01825	5.4
132.08849	0.6
135.11661	0.7
137.09273	0.5
144.06606	0.6
147.02875	4.0
150.05536	1.0
156.06538	1.6
157.10031	0.6
158.10530	0.6
159.11653	0.6
163.14835	0.5
168.06564	7.7
168.08926	0.5
169.05028	0.6
171.02908	1.5
184.12083	0.8
186.07597	2.8
189.03938	5.6
202.13039	0.6
204.08623	3.2
207.43208	0.5
228.08698	1.2
230.12648	0.7
272.07553	3.5
290.08649	13.0
290.18350	1.8
290.25449	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05498	1.3
56.05027	2.4
56.96562	0.6
57.03432	2.9
60.04520	1.2
61.02922	4.6
67.05486	1.0
68.05016	0.6
68.99778	3.6
69.03410	1.8
69.07055	1.9
70.06597	0.8
71.74599	0.5
72.04490	0.7
73.02902	2.6
75.04468	1.0
75.47808	0.4
79.05492	0.9
80.05014	0.6
81.03410	3.0
81.07063	3.2
82.06584	0.5
82.07384	1.3
83.04984	0.6
84.04494	100.0
85.02895	14.4
85.04839	1.1
87.00822	5.9
88.69798	0.4
91.05478	0.7
93.07035	2.2
94.07364	0.7
95.04959	0.7
95.08594	1.4
96.04475	1.8
96.08938	0.7
97.02870	2.3
97.06525	0.6
98.06049	3.2
99.04447	1.4
100.03950	0.4
101.26340	0.6
103.03931	15.6
105.01861	2.9
105.07035	0.9
107.08564	1.3
108.04472	1.5
108.08903	0.6
109.02872	2.9
109.06530	0.8
109.10177	0.8
110.06035	1.4
110.10499	0.6
116.91747	0.4
116.98497	0.5
119.08588	0.8
121.06436	0.4
121.10104	0.7
122.10516	0.6
123.11694	0.5
126.05500	24.2
127.03891	2.8
129.01816	5.9
129.06987	0.6
133.10101	0.8
137.09642	0.4
140.07071	0.4
144.06580	0.8
147.02858	4.1
149.13300	0.6
150.05484	0.5
156.06561	0.9
161.13365	0.5
168.06529	6.3
169.04984	1.0
169.09708	0.6
171.02916	1.4
173.50323	0.4
184.11967	0.8
186.07681	2.3
188.15149	0.4
189.03922	5.8
189.05489	0.7
204.08652	3.2
228.08693	1.6
230.12619	1.3
231.22807	0.4
272.07632	4.1
272.24573	0.8
290.08618	12.7
290.18176	0.7
290.25540	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01862	1.5
55.05508	2.8
55.11120	0.5
56.05032	2.6
57.03432	3.4
60.04507	1.8
61.02916	3.4
64.95756	0.5
67.05489	2.7
68.05830	0.6
68.99779	3.7
69.03420	2.1
69.07062	4.5
69.58807	2.6
69.59239	1.8
70.06577	1.4
70.07394	0.7
72.04506	0.6
73.02909	2.1
75.04458	0.8
75.57601	0.5
79.05481	2.6
80.05019	0.8
80.05802	0.5
81.03414	3.2
81.07048	8.3
82.07384	2.5
83.04977	0.9
83.08604	0.7
84.04498	100.0
85.02382	1.0
85.02898	16.4
85.04882	0.8
85.26514	0.5
87.00816	6.8
91.05480	1.3
93.07050	4.3
94.07388	2.2
95.04960	2.0
95.08604	3.0
96.04490	2.1
96.05335	0.8
96.08949	1.7
97.02891	3.3
97.06528	6.6
97.10216	0.6
98.06046	3.4
98.20718	1.3
99.04439	1.1
100.03970	0.6
103.03937	16.2
104.38423	0.5
105.01856	1.9
105.07025	1.9
106.07352	0.8
107.08589	3.1
108.04462	2.2
108.08926	2.0
109.02866	4.0
109.06516	0.6
109.10125	2.7
110.10492	1.1
111.08051	0.6
114.05451	0.7
119.08587	1.3
120.08908	0.6
121.10133	2.4
122.10427	1.2
123.11689	1.5
124.12025	1.4
125.09634	0.7
126.05505	21.8
127.03942	2.1
128.06134	0.6
128.11896	0.5
129.01836	6.3
129.09120	0.6
131.08543	1.0
133.10112	1.5
134.10425	1.1
135.11693	1.1
136.12018	0.6
144.06577	1.1
145.04927	0.8
147.02881	3.2
147.11673	0.7
148.12048	0.5
150.05519	0.6
150.13585	0.6
151.11191	0.6
156.06583	1.6
159.04410	0.9
160.12080	0.8
161.02307	2.7
162.13560	1.1
163.03922	3.4
163.11031	0.6
168.06566	6.9
171.02924	1.9
173.02362	5.9
184.12027	1.1
186.07625	2.8
189.03918	5.1
202.16745	1.0
203.03397	0.7
204.08699	2.3
215.07008	8.9
228.08826	1.0
231.02818	0.5
255.24059	0.6
259.09521	0.6
263.98477	0.7
272.07642	4.0
272.24548	1.2
275.72540	0.5
290.08643	12.8
290.25601	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
55.05508	0.8
56.05038	2.7
57.03436	2.7
60.04510	2.3
61.02924	2.8
68.99790	2.9
69.03421	1.4
69.07028	0.7
70.06588	0.9
70.69424	0.8
73.02901	2.4
79.05509	0.7
81.03401	3.4
81.07053	2.0
83.01344	0.6
84.04493	100.0
85.02891	14.7
87.00819	5.5
91.05472	0.6
93.07024	1.0
95.08624	0.6
95.54830	0.5
96.04485	1.2
97.02885	3.2
98.06045	4.1
98.21356	0.6
99.04444	0.6
100.04001	0.6
103.03918	16.5
105.01852	3.4
105.06995	0.9
107.08623	1.1
108.04468	2.2
109.02843	3.9
109.10148	0.7
110.06024	1.2
115.96294	0.5
117.32446	0.6
119.08591	0.8
126.05496	23.4
127.03901	3.7
129.01814	5.9
131.08592	0.5
137.05989	1.3
144.06508	0.6
147.02847	3.4
150.05521	0.9
150.13528	0.6
156.06544	0.9
168.06549	8.1
169.04985	0.7
171.02881	1.3
184.12013	1.2
185.11975	0.6
185.58528	0.7
186.07642	2.5
189.03906	5.0
204.08672	3.6
212.05534	1.2
215.07068	0.6
230.06645	0.6
230.12520	1.1
272.07599	4.3
290.06284	1.7
290.08826	13.4
290.18384	0.6
290.25540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2522
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03934	2.6
55.01863	1.3
55.05505	4.3
57.03421	0.9
57.07060	1.7
58.67452	0.6
65.03912	0.7
67.05500	16.0
69.03411	1.4
69.07053	4.8
70.55721	1.3
70.56121	1.3
71.04958	0.8
76.91747	0.6
77.03941	0.9
79.05488	15.1
81.03418	1.1
81.07047	100.0
83.04955	1.0
83.08612	1.9
84.04496	6.2
91.05466	12.7
93.07037	46.9
95.04957	6.7
95.08595	11.6
97.06526	7.5
97.46241	0.7
98.06059	0.7
98.20836	0.8
99.93501	0.6
103.03960	1.6
105.07021	16.2
107.08582	40.9
109.06497	7.0
109.10151	18.2
112.02119	0.9
115.05477	0.9
117.07037	2.1
119.08557	5.3
121.06503	1.4
121.10135	5.2
123.08056	2.8
123.11695	19.7
126.05499	1.9
128.06207	1.8
129.06996	1.8
131.08531	3.3
133.10112	23.9
135.08026	0.9
135.11668	2.8
137.13243	1.5
141.06996	1.2
142.07796	1.3
143.08548	1.6
145.06462	0.8
145.10124	2.4
147.11646	4.0
149.09628	0.9
149.12231	0.7
149.13274	2.8
151.11160	23.8
153.07042	1.5
155.08560	1.9
157.10124	2.6
159.08080	2.1
159.11684	3.1
161.13287	2.2
163.14867	1.5
165.12720	3.2
168.09392	2.5
173.09647	1.3
173.13301	2.0
175.14830	1.6
177.16319	1.4
183.11673	6.8
187.07562	1.1
187.14799	1.5
189.16391	0.9
201.12738	1.9
201.16235	1.1
203.34787	0.7
211.11232	1.4
215.17958	0.9
229.12190	5.7
271.24170	3.2
289.05316	0.8
289.14935	1.1
289.18127	3.5
289.25208	20.6
290.08914	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2523
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
50.01836	0.8
53.03944	2.7
55.01867	1.8
55.05504	7.9
57.03424	2.0
57.07073	2.5
61.02885	1.0
65.03927	2.9
67.05502	19.0
69.03425	1.5
69.07063	9.5
69.95943	5.3
77.03892	0.9
79.05488	16.5
81.03407	2.6
81.07050	100.0
82.07375	1.5
83.04955	1.4
83.08625	4.1
84.04497	12.5
85.02895	3.2
91.05478	16.1
93.07037	50.1
94.07362	1.4
95.04957	9.7
95.08598	17.0
97.06529	8.6
97.10152	1.9
97.91727	0.9
103.03945	2.5
105.07026	19.6
107.04967	1.8
107.08585	43.2
108.08916	1.2
109.02847	1.1
109.06509	7.4
109.10152	20.8
112.49493	0.8
113.31616	0.9
115.05433	2.0
116.06128	0.9
117.07001	4.0
119.08565	8.8
121.06492	2.7
121.10134	8.0
122.06034	1.1
123.08038	2.1
123.11700	21.0
126.05521	3.3
127.03917	1.7
128.06223	3.2
129.01834	1.1
129.06998	4.3
130.07715	1.1
131.08568	8.5
133.02843	1.0
133.06500	1.2
133.10120	22.7
135.07980	2.7
135.11693	4.8
137.13229	4.1
139.11133	1.1
140.01686	1.1
141.06993	3.4
142.07762	2.6
143.08554	6.9
144.09344	1.4
145.06435	2.7
145.10129	4.8
147.11674	5.8
149.05974	1.6
149.13220	3.5
151.11169	24.3
153.06985	3.0
155.08545	5.8
157.10136	6.6
159.08095	4.3
159.11679	4.1
159.33430	1.0
161.02393	1.1
161.09645	1.8
161.13248	3.0
163.11154	1.0
163.14813	2.7
165.12709	4.0
167.08488	1.4
168.09363	7.5
169.10005	1.2
173.05986	1.3
173.09558	2.0
173.13266	4.2
175.11105	1.7
175.14801	3.6
177.16399	2.2
181.15945	1.0
183.11678	16.9
184.12021	2.0
186.02159	1.9
187.07535	1.8
187.11218	1.3
187.14828	1.2
189.03922	1.1
189.16469	1.3
191.17931	1.2
193.05022	1.7
201.12755	4.3
201.16455	1.3
203.10623	1.0
211.11188	4.0
215.17975	1.5
229.12228	16.7
230.12585	1.8
271.16852	1.6
271.24213	5.6
289.05127	1.1
289.10825	1.5
289.14343	3.6
289.18008	7.0
289.21820	1.5
289.25195	24.1
290.08621	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2522
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
50.36160	1.0
53.03931	3.9
55.01844	1.6
55.05502	15.6
57.03425	2.3
57.07066	7.0
61.02900	1.4
65.03944	2.1
67.05499	23.0
68.99769	1.4
69.03409	3.4
69.06680	1.5
69.07056	30.5
71.04971	3.9
71.08602	3.0
71.74655	1.1
71.75038	1.4
72.87400	1.1
78.60981	1.1
79.05070	2.0
79.05486	21.0
81.03390	4.0
81.07046	100.0
83.04952	1.6
83.08608	12.2
84.04495	27.7
85.02879	4.3
85.06520	3.1
87.00812	2.1
91.05474	19.5
93.07033	57.5
95.04957	19.4
95.08593	48.0
97.02869	1.5
97.06526	12.5
97.10132	4.2
99.08054	1.9
103.03929	3.8
103.05437	1.3
105.04505	1.2
105.07023	27.6
107.08581	50.6
108.04462	1.3
109.06501	9.4
109.10146	37.0
111.08057	7.0
111.11681	3.7
112.02129	1.2
117.07001	3.2
119.08573	20.5
120.08076	2.3
121.06496	9.3
121.10128	30.4
123.04375	1.2
123.08019	3.4
123.11691	30.0
124.07587	1.7
125.09586	3.6
125.13241	1.1
126.04693	1.4
126.05489	8.3
127.03912	1.9
128.06174	2.3
129.01785	1.9
129.06990	3.4
131.08568	9.8
133.10121	23.8
135.08043	3.8
135.11673	20.2
136.08789	8.5
137.09592	3.6
137.13231	9.0
139.11105	1.7
141.06976	3.4
142.07730	3.0
143.08577	6.5
144.09296	1.5
145.10120	13.0
147.08023	2.1
147.11681	11.8
149.05949	1.9
149.09621	1.4
149.12108	1.4
149.13234	19.2
151.11166	13.7
151.14813	1.3
153.06938	3.4
153.12750	1.3
155.08514	4.7
157.10109	5.0
159.08046	3.9
159.09454	1.1
159.11688	11.8
161.13228	12.0
163.11177	3.6
163.14789	8.1
164.07033	10.0
165.12761	6.1
167.08603	2.2
168.09319	4.5
171.03030	1.6
173.05971	1.1
173.09512	2.3
173.13225	7.3
175.11092	1.5
175.14780	9.6
177.12718	3.5
177.16365	7.8
179.14288	2.3
183.11682	14.1
185.13232	2.3
186.02077	1.7
187.07599	1.7
187.11098	2.0
187.14900	5.4
189.03938	2.6
189.16371	4.0
191.17937	3.5
193.10251	1.2
193.15848	2.3
201.12718	4.2
201.16377	5.3
203.17973	2.6
205.15796	1.6
211.11194	2.4
215.17929	7.4
229.12184	11.9
229.19496	2.3
230.12538	1.4
231.13841	3.5
231.21065	3.0
233.18922	2.1
245.22644	4.5
247.16994	2.1
271.14285	3.5
271.24182	13.3
289.05466	1.8
289.10886	2.3
289.14987	7.4
289.18027	9.7
289.25217	63.7
290.08688	5.1
290.18274	1.5
290.25638	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2521
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
50.03907	1.0
53.03935	3.5
55.01859	1.4
55.05263	1.6
55.05504	17.8
56.05026	2.1
57.02821	1.2
57.03419	4.0
57.07067	8.8
61.02906	4.4
65.03920	2.0
67.05498	27.9
68.99783	5.6
69.03417	6.3
69.07064	29.1
69.61449	2.1
69.61853	6.8
71.04970	2.5
71.08610	3.4
73.02896	3.4
79.05028	1.3
79.05485	21.4
81.03394	6.1
81.07049	100.0
83.04959	2.5
83.08615	9.1
84.04496	96.1
85.02898	15.6
85.06528	2.4
87.00822	6.4
91.05462	18.3
93.07038	59.6
95.04959	14.9
95.08598	55.0
95.47388	1.0
97.02885	2.7
97.06522	9.5
97.10150	4.8
98.06072	2.8
99.04414	1.1
103.03938	15.6
103.05432	1.3
105.01839	3.0
105.07019	28.9
107.08580	46.6
108.04465	1.5
109.02882	3.3
109.06518	10.0
109.10146	31.9
111.08062	3.3
111.11700	2.6
117.06995	3.2
119.08569	22.3
121.06495	2.6
121.10135	27.7
123.08053	2.8
123.11700	31.2
125.09565	1.9
126.05505	21.9
127.03909	3.4
128.06282	1.4
129.01820	5.0
129.07030	2.3
131.08559	10.0
133.10114	20.4
135.07985	1.8
135.11682	13.6
137.09596	2.5
137.13254	7.8
139.11183	2.6
141.06999	2.2
142.07756	1.1
143.08525	4.2
145.06462	1.3
145.10094	10.5
147.02876	3.5
147.08006	1.4
147.11691	13.6
149.09589	1.8
149.13243	14.0
151.11179	15.0
151.14871	1.7
153.07076	1.3
153.12711	1.8
155.08533	3.0
156.06528	1.5
157.10095	4.0
159.11682	13.2
161.13219	11.1
163.11171	3.8
163.14806	8.4
165.12756	6.1
165.13908	1.1
167.14261	1.5
168.06543	8.0
168.09332	3.3
173.13225	6.9
175.14812	8.0
177.12735	2.7
177.16359	6.3
179.14261	1.9
183.11668	10.5
186.07683	2.6
187.07532	1.6
187.14838	4.6
189.03938	3.7
189.16351	4.5
191.17825	2.1
195.17427	1.8
201.12703	2.5
201.16347	3.5
203.17928	2.1
204.08609	2.6
211.11273	1.6
215.17839	5.4
217.19456	1.3
219.17455	1.2
222.10246	1.4
229.12167	6.5
229.19351	2.2
231.21069	2.5
245.22653	1.3
271.24200	14.3
272.07516	3.5
289.14761	1.5
289.18063	4.3
289.25226	52.9
290.08679	12.0
290.25375	1.7
302.32495	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.01858	2.2
55.05499	28.6
57.07063	12.3
59.04984	6.5
67.05497	26.7
69.03414	2.6
69.07054	26.8
70.88882	7.6
74.52850	2.8
77.03905	2.3
79.05481	20.0
81.07044	42.5
83.04964	2.7
83.08589	9.9
85.06519	9.8
91.05468	70.1
93.07031	40.5
95.04935	5.0
95.08596	33.8
97.06462	4.6
97.10137	10.3
99.08044	3.9
102.12834	2.9
105.06324	5.4
105.07017	97.3
107.08573	32.4
109.06496	7.1
109.10155	18.9
117.06992	20.2
119.08568	59.3
121.06488	5.1
121.10153	13.6
121.10887	2.4
123.08063	3.5
123.11683	6.2
125.09587	7.2
127.03869	3.1
128.06190	8.4
129.06967	17.6
130.07721	3.7
131.08549	42.1
133.06375	2.5
133.10109	61.2
135.11685	11.8
137.09540	3.4
141.06953	11.9
142.07745	11.3
143.08521	21.0
144.09317	5.7
145.06476	3.9
145.10107	52.5
147.07999	3.1
147.11664	48.4
149.09671	2.6
149.13286	3.3
151.11154	3.9
153.06992	6.3
154.07800	3.4
155.08549	19.8
156.13823	5.1
157.10117	24.9
159.08034	8.6
159.11649	23.5
161.13237	9.9
164.98677	2.9
167.08534	2.7
168.09343	16.6
169.10103	6.1
171.11635	9.1
173.09578	4.7
173.13222	20.4
175.14804	6.1
177.12541	2.4
181.10193	4.6
181.15799	3.0
183.11685	62.3
185.09633	4.6
185.13213	7.2
187.07471	4.7
187.11143	3.6
187.14789	4.7
199.14716	3.1
201.12662	16.6
203.10643	4.5
207.17339	7.3
211.11140	9.5
215.17888	5.8
229.12189	42.8
229.15677	3.6
239.17889	11.0
257.18973	30.5
271.16846	3.9
271.24094	5.2
284.67667	2.4
289.14453	7.0
289.18091	13.1
289.21567	100.0
289.25165	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2158
Annotation	Normethandrolone
Peak:m/z	Relative Intensity
55.05508	20.7
57.02520	2.7
57.07055	5.7
59.05006	3.1
66.63876	2.3
67.05499	24.1
69.03423	3.3
69.07056	54.2
69.45284	10.4
69.45717	20.8
71.04991	3.4
71.08604	4.2
79.05494	19.1
81.07051	40.3
83.04971	25.6
83.08582	9.1
84.20117	2.7
84.32178	2.3
85.06535	5.1
91.05466	35.4
93.07034	34.6
95.04939	16.1
95.08598	53.0
97.06512	11.4
98.21511	4.2
101.05984	8.8
105.07025	43.4
107.08578	32.1
109.06491	8.9
109.10141	24.9
115.05438	2.9
115.07541	3.7
117.07003	11.7
119.08559	58.1
121.06516	5.9
121.10133	18.1
123.08086	5.8
123.11689	42.8
125.09573	2.5
128.06221	9.2
129.06981	12.4
130.07744	3.9
131.08556	35.9
133.10112	39.1
135.08054	4.2
135.11646	8.5
141.06937	10.6
142.07782	14.5
143.08571	20.9
144.09344	3.1
145.06476	5.4
145.10107	51.3
147.08032	4.2
147.11674	26.6
149.09575	6.6
149.13226	4.4
153.06973	11.2
154.07751	4.4
155.08562	15.1
156.09419	2.7
157.10068	23.5
159.08047	8.0
159.11694	32.0
160.12410	3.3
161.09618	8.6
161.13222	36.4
163.11162	3.8
165.09091	7.7
167.08513	5.2
167.10703	4.2
168.09315	16.5
169.10118	8.0
171.11711	12.1
173.09618	8.1
173.13234	26.8
175.11189	7.7
175.14816	63.8
176.15477	3.7
177.12735	3.5
177.16344	4.5
183.11662	42.5
184.12138	4.4
185.09613	4.8
185.13248	8.7
187.07549	4.7
187.11153	5.9
187.14787	11.8
189.12709	9.4
189.16330	4.5
197.13228	5.6
199.14833	4.9
201.12706	20.6
201.16338	18.9
211.11176	10.5
213.16359	9.8
215.14323	10.7
215.17873	17.5
217.19563	4.5
227.17873	11.0
229.12219	30.5
233.15321	4.8
241.97452	2.8
243.21042	19.9
245.19020	4.6
253.19296	3.5
271.20526	26.3
289.18466	4.9
289.21606	100.0
290.21692	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01849	2.2
55.05505	23.3
57.03423	1.9
57.07058	2.9
59.04984	5.1
67.05494	24.4
69.03435	3.2
69.07067	18.8
71.75030	3.1
71.75422	1.7
73.06534	3.6
73.24554	1.6
79.05063	2.8
79.05483	23.6
81.07047	34.9
83.05003	3.2
83.08609	6.0
85.06529	9.9
89.31363	2.2
91.05471	65.7
93.07030	29.6
95.04959	7.1
95.08588	25.9
97.06514	2.8
99.08069	2.9
103.05471	3.4
105.07021	85.6
107.04962	2.5
107.08581	22.4
109.06527	3.8
109.10140	11.3
115.05463	6.0
117.07009	20.9
119.08569	73.2
120.08849	2.2
121.06565	2.5
121.10123	10.8
123.08028	2.1
123.11687	4.5
125.09677	3.1
127.03925	1.6
128.06227	6.3
129.06979	12.4
130.07813	1.9
131.08551	32.2
133.06491	2.9
133.10117	49.3
135.07996	2.0
135.11671	4.3
141.06984	10.8
142.07761	7.5
143.08527	16.6
145.06429	3.1
145.10110	25.4
147.07982	2.6
147.09894	3.3
147.11664	31.6
149.05930	3.2
149.09631	4.6
149.13182	2.3
153.06941	7.1
154.07755	3.3
155.08534	15.4
156.09256	2.4
157.10117	17.5
159.08006	5.9
159.11673	20.7
161.09671	2.4
161.13257	13.4
163.11110	1.8
167.08545	2.6
168.09360	15.4
169.10066	6.6
171.11705	6.5
173.05968	2.2
173.09602	3.3
173.13237	18.3
175.11127	2.7
175.14861	2.7
177.35698	2.0
181.10138	2.0
183.11671	40.3
184.12172	2.5
185.09680	2.0
185.13216	5.3
187.07507	4.7
187.11172	4.8
187.14874	1.9
196.08746	1.9
197.13268	4.4
201.12703	12.8
211.11160	8.1
211.14824	2.0
215.14476	3.7
215.17911	4.7
216.17419	3.9
217.17741	12.4
229.12253	25.4
229.19495	2.1
230.19362	2.2
231.19331	8.6
239.17929	10.3
257.19049	15.6
257.67673	1.8
271.20239	2.2
289.14508	5.9
289.18152	5.7
289.21292	100.0
290.21918	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1793
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
52.02535	2.1
53.03937	5.1
55.01854	8.9
55.05505	68.2
56.05030	10.6
57.03421	4.4
57.07066	11.5
57.37222	1.9
58.06583	6.8
59.04986	4.1
60.04506	3.1
65.03918	2.7
67.05499	27.3
68.27777	2.0
69.03412	8.1
69.07056	13.5
70.78220	2.6
70.78556	4.7
71.04977	2.3
71.08614	5.7
74.06071	10.2
79.05483	39.8
79.70961	2.2
81.03400	3.0
81.06606	2.2
81.07053	31.2
83.04964	6.8
83.08609	22.1
85.10117	2.2
88.07103	3.1
88.07622	44.6
91.05477	34.5
93.07034	18.8
95.04955	8.4
95.08584	12.1
97.06532	4.5
97.10156	38.4
99.99194	2.0
105.07023	34.2
106.08656	2.9
107.04948	7.7
107.07888	3.1
107.08578	24.0
109.06504	6.5
109.10136	7.2
111.08068	2.0
115.04749	2.4
115.05420	12.8
117.07003	63.3
118.08652	7.0
119.08559	38.5
121.06493	5.4
121.10169	3.7
122.08155	6.9
125.09615	30.2
128.06212	9.5
128.92679	2.1
129.06979	12.3
131.04951	2.1
131.08556	22.0
133.06456	10.5
133.10098	20.3
135.08028	16.6
141.06960	9.2
142.07784	8.3
143.08557	28.0
144.05775	2.3
145.06467	92.1
145.10095	18.3
147.08041	25.2
147.11653	5.1
149.05919	3.2
151.07585	3.2
153.06972	7.4
153.09076	5.9
154.07750	3.5
155.08525	18.8
157.10091	19.2
159.08035	33.9
159.11710	5.7
160.08792	9.9
161.09601	19.6
163.07510	8.5
168.09294	14.3
169.10094	16.4
171.11678	5.5
172.08769	2.2
173.09589	12.4
173.13231	5.3
177.08936	3.4
181.10085	2.8
183.11678	35.2
185.09564	3.7
187.07474	3.3
189.11186	14.5
193.10016	2.7
195.11751	2.6
197.13385	3.2
201.12704	7.0
203.14371	2.7
207.11725	2.1
209.13318	2.9
211.11154	7.6
213.12856	2.8
217.10162	3.3
219.11604	3.7
219.48506	2.1
225.16412	5.9
228.57333	1.9
229.12167	20.4
231.11795	4.4
233.13205	4.5
235.14711	2.5
242.24770	40.9
243.17415	10.3
244.12401	3.8
245.13139	5.8
247.14784	3.7
248.64494	1.9
253.15787	7.2
259.14764	9.1
261.16092	2.3
271.16901	90.6
274.17114	6.9
289.17703	100.0
289.28995	13.1
290.18259	2.5
290.26871	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02535	2.1
53.03937	5.1
55.01854	8.9
55.05505	68.2
56.05030	10.6
57.03421	4.4
57.07066	11.5
57.37222	1.9
58.06583	6.8
59.04986	4.1
60.04506	3.1
65.03918	2.7
67.05499	27.3
68.27777	2.0
69.03412	8.1
69.07056	13.5
70.78220	2.6
70.78556	4.7
71.04977	2.3
71.08614	5.7
74.06071	10.2
79.05483	39.8
79.70961	2.2
81.03400	3.0
81.06606	2.2
81.07053	31.2
83.04964	6.8
83.08609	22.1
85.10117	2.2
88.07103	3.1
88.07622	44.6
91.05477	34.5
93.07034	18.8
95.04955	8.4
95.08584	12.1
97.06532	4.5
97.10156	38.4
99.99194	2.0
105.07023	34.2
106.08656	2.9
107.04948	7.7
107.07888	3.1
107.08578	24.0
109.06504	6.5
109.10136	7.2
111.08068	2.0
115.04749	2.4
115.05420	12.8
117.07003	63.3
118.08652	7.0
119.08559	38.5
121.06493	5.4
121.10169	3.7
122.08155	6.9
125.09615	30.2
128.06212	9.5
128.92679	2.1
129.06979	12.3
131.04951	2.1
131.08556	22.0
133.06456	10.5
133.10098	20.3
135.08028	16.6
141.06960	9.2
142.07784	8.3
143.08557	28.0
144.05775	2.3
145.06467	92.1
145.10095	18.3
147.08041	25.2
147.11653	5.1
149.05919	3.2
151.07585	3.2
153.06972	7.4
153.09076	5.9
154.07750	3.5
155.08525	18.8
157.10091	19.2
159.08035	33.9
159.11710	5.7
160.08792	9.9
161.09601	19.6
163.07510	8.5
168.09294	14.3
169.10094	16.4
171.11678	5.5
172.08769	2.2
173.09589	12.4
173.13231	5.3
177.08936	3.4
181.10085	2.8
183.11678	35.2
185.09564	3.7
187.07474	3.3
189.11186	14.5
193.10016	2.7
195.11751	2.6
197.13385	3.2
201.12704	7.0
203.14371	2.7
207.11725	2.1
209.13318	2.9
211.11154	7.6
213.12856	2.8
217.10162	3.3
219.11604	3.7
219.48506	2.1
225.16412	5.9
228.57333	1.9
229.12167	20.4
231.11795	4.4
233.13205	4.5
235.14711	2.5
242.24770	40.9
243.17415	10.3
244.12401	3.8
245.13139	5.8
247.14784	3.7
248.64494	1.9
253.15787	7.2
259.14764	9.1
261.16092	2.3
271.16901	90.6
274.17114	6.9
289.17703	100.0
289.28995	13.1
290.18259	2.5
290.26871	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1431
Annotation	Hedyosumin D
Peak:m/z	Relative Intensity
52.44388	1.3
53.03934	3.6
55.01859	1.5
55.05504	8.5
57.03423	2.0
57.07073	1.6
67.05495	7.5
69.03410	4.4
69.07062	5.1
70.99252	2.9
70.99593	1.5
79.05476	12.3
81.03402	1.9
81.07043	19.5
83.04976	1.7
83.08591	5.1
84.04494	3.4
85.29350	1.3
91.05470	18.7
93.07031	15.1
93.16796	1.4
95.04946	7.5
95.08575	6.4
97.06500	2.8
99.04397	1.6
100.15654	1.3
103.05481	2.2
105.07021	23.3
106.07376	1.5
107.04962	3.2
107.08577	15.6
109.06503	5.9
109.10114	4.5
115.05452	5.3
116.06257	2.5
117.07004	15.5
119.04937	1.8
119.08559	16.7
121.06540	7.5
121.10132	3.0
123.04440	2.1
123.08052	2.3
123.11732	2.1
126.05502	1.5
127.03903	1.6
128.06206	15.0
129.06992	21.6
130.07742	2.0
131.04897	2.8
131.08554	33.1
133.06474	5.3
133.10120	7.9
135.04408	2.1
135.08031	5.7
135.11710	2.3
137.05992	2.3
141.06976	19.0
142.07761	19.0
143.08542	32.2
144.05753	1.6
144.09291	4.7
145.06451	8.4
145.10100	15.6
147.08020	4.5
147.11682	5.5
149.05978	5.3
151.11183	1.9
152.06216	2.4
153.06979	18.3
154.07765	5.4
155.08543	37.2
156.09262	2.2
157.10123	31.8
158.10864	1.9
159.04410	1.7
159.08051	17.5
159.11658	9.4
161.05988	4.0
161.09634	1.7
161.13243	1.8
163.07550	2.4
165.06987	2.5
166.07619	1.9
167.08582	8.0
168.09332	44.3
168.10757	2.5
169.10101	7.4
171.08145	1.9
171.11664	3.9
173.06024	6.7
173.09613	9.1
173.13246	11.3
175.07672	1.9
175.11147	2.8
175.14725	1.5
178.07736	2.4
181.06380	1.5
181.10094	4.1
183.11668	100.0
184.12122	5.2
185.09572	6.8
185.13153	7.4
186.02171	2.6
186.10291	1.8
187.07507	11.8
187.11200	6.3
188.11906	1.8
189.09122	1.9
193.10097	5.7
196.08777	4.4
201.09030	3.0
201.12712	27.4
203.10626	4.0
209.28641	1.9
211.11151	22.3
213.09059	2.2
219.13776	2.4
225.12961	1.6
227.10646	2.7
229.12215	82.8
230.12579	3.3
231.13794	4.5
245.11624	1.9
247.13307	5.9
271.16907	3.0
286.07654	1.4
289.14334	13.5
289.17941	18.8
289.21371	1.9
289.25189	2.5
290.21182	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
56.05029	1.6
56.96548	2.9
57.26743	1.1
62.49022	1.0
70.06579	1.2
70.67701	2.6
72.08150	1.7
79.05524	1.1
83.72801	1.2
84.08124	3.5
85.02883	2.1
86.09679	2.4
97.02848	1.3
98.87142	1.1
101.00865	20.4
105.00368	1.8
113.00883	1.8
115.02435	10.3
117.03999	1.5
119.01905	100.0
120.01992	2.6
127.03899	2.2
129.03970	3.5
129.10243	1.4
131.01881	10.8
133.03450	24.4
134.03612	1.6
135.05029	2.3
137.02939	23.9
140.60698	1.1
141.86946	1.3
143.01889	11.2
144.99805	3.5
145.03445	6.2
146.99561	2.3
147.01337	6.1
147.05008	3.7
148.96548	1.2
149.02966	4.7
151.04565	5.9
151.05594	1.6
157.03535	1.6
161.01613	2.4
161.02937	36.5
162.03000	1.3
163.04533	1.5
168.99814	6.5
171.01315	7.4
173.02974	9.1
175.00854	3.8
175.04501	2.5
177.02451	3.2
179.02283	2.3
179.03951	1.2
183.11685	3.9
184.04483	1.9
185.02956	3.1
187.00870	22.4
187.04440	2.4
189.02425	13.1
191.03972	10.2
193.00192	1.9
193.01880	2.0
195.03438	1.8
196.99319	3.3
197.03168	1.5
199.00813	9.5
201.02420	4.1
203.04024	3.4
205.01944	8.1
207.03479	6.5
214.05663	1.5
215.00349	16.9
217.01895	21.7
219.03502	7.6
221.05046	1.5
229.01959	5.1
229.12148	3.5
230.13826	2.5
231.03531	2.8
233.01462	3.3
235.03023	3.3
247.02980	17.0
249.04494	2.2
259.02963	1.9
265.04175	6.0
289.03925	8.1
289.07172	7.9
289.20624	2.3
307.05240	8.0
307.08185	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44950	1.1
56.96545	2.4
58.99861	1.5
59.66850	1.1
70.06602	2.0
70.48683	3.7
72.08142	1.1
75.08477	1.0
77.00896	2.0
82.99846	2.2
84.08123	1.7
98.70744	1.0
101.00868	28.0
102.00935	1.3
113.00875	2.4
115.02418	12.5
115.25243	1.1
116.98562	1.1
119.01909	100.0
120.01926	2.4
121.03465	1.3
121.66781	1.0
126.98814	1.2
129.03935	2.8
131.01888	10.2
133.03462	28.4
134.03517	1.1
135.05031	1.4
137.02951	23.0
137.03970	2.2
142.03525	2.5
143.01903	12.7
144.99844	4.2
145.03436	5.6
146.99551	1.2
147.01401	3.0
147.04982	6.5
149.02908	2.0
151.04465	5.5
157.03516	2.3
159.01361	2.0
161.01598	2.4
161.02946	45.8
163.04544	2.2
168.99820	5.1
171.01382	8.5
173.02943	7.5
175.00845	2.0
175.04488	2.8
179.04025	2.2
184.04582	2.2
185.02931	2.8
187.00870	18.6
187.04546	3.3
189.02394	10.8
191.03969	8.8
196.99344	2.2
199.00873	9.0
199.04472	1.7
201.02403	3.2
203.00381	1.3
203.04085	1.3
205.01883	8.7
205.05635	1.6
207.03526	4.1
215.00331	17.9
217.01909	20.0
219.03519	8.4
221.04985	1.5
229.01874	4.1
231.03430	1.4
233.01456	4.4
235.02927	2.4
247.03004	18.9
259.03040	1.2
259.06689	1.7
265.04065	4.8
277.04025	4.5
286.11847	1.2
289.03961	6.2
289.07431	3.2
293.03189	1.3
307.05026	4.8
307.08405	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87160	2.8
65.62231	2.5
69.53223	4.8
69.53619	21.7
72.08163	3.3
77.00921	2.9
85.02888	4.8
97.02851	2.6
101.00861	23.7
112.89616	3.6
114.89338	4.1
115.02422	10.5
119.01910	100.0
127.03870	4.6
129.03949	2.6
131.01889	11.3
133.01819	2.8
133.03468	29.1
137.02950	30.3
142.03484	3.9
143.01880	19.5
144.99847	4.0
145.03450	4.1
147.05026	4.5
149.02948	2.7
151.04471	6.8
157.03503	4.0
161.02943	53.8
163.90593	2.5
168.99841	7.3
171.01459	6.3
173.02916	5.0
175.12076	2.8
177.94951	2.6
178.93320	3.0
180.87704	2.6
185.03049	2.9
187.00850	20.3
187.04520	3.8
189.02400	12.1
191.03931	6.5
196.99347	4.5
199.00919	7.0
203.03998	2.6
205.02017	5.7
207.03534	7.0
215.00311	21.2
217.01920	18.6
219.03459	7.7
229.01907	3.6
230.14015	4.7
233.01443	4.1
240.83707	3.0
247.02940	15.6
248.33083	3.0
265.04102	3.4
289.03934	5.2
289.06454	16.7
289.12299	4.1
289.17596	2.8
307.05090	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2
Annotation	6-Dehydrotestosterone
Peak:m/z	Relative Intensity
54.47850	4.7
55.05503	14.5
57.07056	10.6
57.24486	4.5
60.21196	4.3
62.59110	4.2
63.00033	6.2
64.99730	4.6
67.05490	23.7
69.03432	8.1
69.07063	26.5
71.04994	11.9
71.75205	6.9
71.75610	5.6
79.05482	12.4
79.89642	4.7
81.07022	32.4
83.08617	5.8
85.06537	11.4
91.05479	24.7
93.07027	23.8
95.04968	16.3
95.08591	39.8
97.06490	12.9
98.98425	5.0
105.07007	26.4
107.08557	32.2
109.06503	13.0
109.10156	29.5
117.06963	5.0
119.08553	30.2
119.09290	4.1
121.06472	18.3
121.10146	34.2
123.08055	9.6
123.11724	10.3
129.06989	5.5
131.08507	23.1
133.10124	18.9
135.08047	20.5
135.11694	7.1
143.08554	13.0
143.48956	5.3
145.10109	18.3
147.08047	12.7
147.11664	14.9
149.09602	7.2
156.09279	8.0
157.10126	17.4
158.10899	4.9
159.11664	19.4
161.09641	10.9
161.13277	7.8
163.11145	8.3
169.10017	8.4
170.10826	6.4
171.11688	22.5
173.13251	26.9
177.16391	9.2
185.13274	13.6
187.11259	4.8
187.14925	8.2
189.12794	7.9
191.14288	13.9
198.97249	5.3
199.11139	9.8
199.14789	7.3
201.12793	8.3
201.16443	7.0
211.14873	9.6
213.12708	7.6
227.17950	11.2
229.16025	8.6
241.19528	15.9
245.19081	10.8
251.17896	5.3
259.20724	6.8
269.19022	23.1
271.77106	4.5
281.64960	5.0
287.05475	35.7
287.16843	11.5
287.20038	100.0
287.23141	5.6
287.31213	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2
Annotation	17alpha-Methylestradiol
Peak:m/z	Relative Intensity
54.05235	3.2
55.05507	8.5
58.95494	3.2
67.05487	12.7
69.07060	37.7
69.43287	4.2
69.43629	37.2
79.05475	5.8
81.07058	18.9
83.05007	3.9
83.08595	6.3
91.05464	9.8
93.07022	8.2
94.31622	3.5
95.04958	5.2
95.08600	13.7
105.07007	19.9
107.08570	16.3
109.10141	26.5
111.04440	6.8
111.08072	7.5
113.05997	12.5
117.06974	8.2
119.08551	36.6
121.10120	15.3
123.11668	22.8
129.06912	3.2
131.08562	10.1
133.10107	25.2
135.11681	7.1
140.79646	3.5
143.08536	6.9
145.10117	26.2
147.11668	14.3
149.09659	5.4
149.13228	3.7
153.80034	3.6
157.10117	15.6
159.11671	24.5
161.09647	4.7
161.13234	19.9
163.11186	5.7
171.11681	10.6
173.13232	9.9
175.11253	5.1
175.14772	28.5
175.45233	3.4
177.12839	3.1
185.13272	10.7
187.11096	4.0
187.14871	4.1
188.15500	4.2
189.12672	5.4
189.16342	12.1
191.10608	5.8
199.11223	3.6
201.16377	20.8
205.12227	8.8
211.14755	4.0
213.12836	8.2
213.16382	5.1
217.12262	6.0
231.13820	8.5
241.19637	5.3
245.18999	6.2
269.19012	11.3
287.05560	15.4
287.20007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2002
Annotation	(2E,4E,8E,10E)-Heptadecatetraen-6-yn-1-yn acetate
Peak:m/z	Relative Intensity
55.01860	2.7
55.05508	5.5
56.23327	0.8
57.03421	1.3
57.07058	3.2
65.03922	1.1
67.05177	1.0
67.05502	11.2
69.07046	4.1
70.25458	1.6
70.25856	2.3
71.04970	3.7
79.05485	11.1
81.03387	1.3
81.07053	9.8
83.04967	1.4
83.08576	1.0
85.06522	1.9
88.39103	0.9
88.89790	0.8
91.05470	15.7
93.07040	10.4
95.04947	6.1
95.08606	6.3
97.06521	2.6
103.05470	0.9
105.03400	1.1
105.07016	14.7
107.04919	1.4
107.08579	7.9
109.06481	3.2
109.10120	2.8
111.08047	1.1
114.63483	0.9
115.05425	3.6
117.07011	10.0
119.04928	1.5
119.08573	10.2
121.06506	2.0
121.10118	3.5
123.08072	2.2
126.62758	0.9
128.06203	9.8
129.06990	20.9
130.07726	1.0
131.04912	0.9
131.08554	10.2
133.06500	4.5
133.10127	5.0
135.08066	4.3
135.11687	1.3
137.05965	29.5
139.07491	1.3
141.06985	3.1
142.07793	6.5
143.08553	21.9
145.06458	3.2
145.10130	10.5
146.07196	1.8
147.08022	5.3
147.11703	4.7
149.09579	1.2
149.13242	1.1
155.05986	0.9
155.08569	5.2
156.09384	2.1
157.06479	1.3
157.10124	14.6
159.08023	3.6
159.11661	4.0
160.08916	1.4
161.09575	7.2
161.13268	2.3
163.05154	0.9
163.07413	1.4
169.10114	3.4
170.10933	1.5
171.08018	1.1
171.11684	8.5
173.09613	5.7
173.13220	2.1
174.06773	1.3
174.10402	2.5
175.07536	2.6
175.11140	2.7
177.09059	1.8
183.11661	2.5
185.09602	2.1
185.13254	6.9
187.11110	4.4
187.14812	1.5
189.09071	1.8
189.12662	1.7
191.10643	1.4
198.13968	1.2
199.11139	1.4
199.14777	4.9
201.12762	2.7
201.16342	2.9
203.10616	7.7
203.14290	1.7
211.14870	1.2
217.12221	1.6
217.15845	1.6
225.16426	1.5
227.15871	1.7
227.17940	22.8
231.13727	1.6
241.16034	1.1
243.17415	3.9
244.18161	3.8
245.18977	23.2
246.19421	1.0
259.17038	1.5
259.20410	1.2
269.19067	5.8
287.05450	5.1
287.20020	100.0
288.20334	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2002
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
55.05492	9.1
56.96548	4.3
57.03415	4.4
57.07058	8.1
58.84016	2.3
59.04991	4.8
64.99749	3.5
65.03923	3.2
67.05499	21.5
69.03401	8.7
69.07049	17.4
69.38512	2.2
71.04978	4.1
71.74635	4.0
72.65013	2.7
76.89368	2.3
79.05477	20.5
81.07041	25.3
83.04977	5.0
83.08598	5.4
85.06503	4.6
91.05466	18.8
93.07027	30.1
95.04963	23.5
95.08593	27.4
97.06524	10.0
98.98464	5.1
105.07022	33.5
107.08578	39.0
109.06483	13.7
109.10107	17.3
111.08073	3.3
115.05428	3.2
117.07001	10.5
119.08562	39.8
121.06486	5.8
121.10131	61.9
123.08044	5.3
123.11673	5.9
125.05943	11.2
128.06201	6.8
129.06979	8.9
130.07780	4.7
131.08543	34.6
133.06474	2.8
133.10124	24.7
135.08031	7.5
135.11702	6.0
137.05959	4.3
137.09593	4.3
141.06998	5.0
142.07745	14.2
143.08527	25.0
144.09300	7.7
145.06470	2.7
145.10095	28.1
147.08031	7.4
147.11671	12.8
149.09616	8.7
149.13216	4.4
151.07535	5.5
155.08546	11.5
155.21600	2.6
156.09338	11.2
157.10115	31.6
158.10876	12.4
159.08064	4.9
159.11674	33.0
160.12367	3.2
161.09581	7.2
161.13187	6.4
163.07399	2.9
163.11185	3.2
165.07016	3.8
167.07054	3.8
167.08521	3.0
169.10106	10.7
170.10921	12.9
171.07956	3.6
171.11674	33.6
172.08795	4.2
172.12384	5.2
173.09608	3.0
173.13229	34.7
175.11139	4.0
175.14822	5.2
177.09030	2.6
177.12685	2.9
180.09402	3.2
181.10089	4.0
183.07997	2.3
183.11693	7.3
184.12405	4.5
185.09540	3.3
185.13257	25.4
186.14006	8.4
187.11160	9.0
187.14845	15.4
189.12726	9.2
191.14268	5.3
195.11652	11.5
196.12444	3.2
198.10394	4.0
199.11195	8.5
199.14795	9.0
201.12766	4.1
203.14323	8.9
209.13219	4.4
211.14793	8.6
213.12724	25.5
213.16327	4.3
221.13298	3.0
226.20718	3.4
227.14244	10.4
229.15788	6.1
231.13791	15.1
233.09665	4.6
241.19498	7.7
245.15399	13.9
249.83246	2.7
251.17950	5.7
269.15933	4.8
269.18976	58.9
269.21893	2.4
281.12683	2.4
287.05499	16.8
287.16412	22.1
287.20007	100.0
287.23438	7.6
288.05966	2.7
288.28857	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2002
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
53.03938	2.9
55.01855	1.4
55.05507	7.7
57.07069	8.1
59.04974	3.4
67.05494	15.5
69.03411	4.6
69.07067	16.1
71.04971	4.4
71.75459	2.2
74.61017	1.7
79.05482	13.6
81.07043	16.8
83.04955	4.6
83.08604	6.2
85.06535	4.4
91.05462	18.6
93.07032	27.1
94.04192	2.0
95.04961	23.3
95.08602	19.5
97.06537	14.9
98.98458	2.4
105.07016	29.9
107.08587	35.5
109.06500	10.4
109.10145	18.7
111.08067	3.5
114.61304	1.4
115.05424	2.5
117.03204	1.6
117.06985	12.5
119.08564	30.9
121.06503	6.0
121.10136	25.8
123.08036	6.6
123.11705	2.5
128.06212	6.1
129.06978	10.9
130.07755	4.6
131.08542	27.1
133.06544	2.2
133.10123	23.2
135.08076	8.7
135.11652	8.9
137.09570	4.6
141.06946	3.2
142.07753	10.7
143.08554	23.2
144.09352	7.7
145.06410	2.7
145.10117	28.0
147.08017	4.7
147.11662	11.9
149.09613	17.2
151.11229	2.6
155.08580	6.4
156.09338	8.4
157.06546	1.8
157.10115	29.4
158.10860	9.3
159.07953	2.7
159.11678	29.5
161.09584	7.2
161.13239	7.2
163.11160	3.6
165.06949	2.9
167.08588	2.4
169.10118	11.0
170.10892	7.7
171.08089	2.2
171.11682	26.9
172.08853	2.8
172.12340	3.7
173.09688	3.2
173.13242	35.8
174.14026	2.9
175.11134	5.1
175.14801	2.3
177.12700	2.2
179.08493	2.1
180.09372	2.1
181.10081	2.2
183.11676	6.1
184.12447	3.1
184.36394	1.6
185.09657	5.0
185.13222	22.1
186.14069	6.5
187.11209	7.0
187.14790	15.2
189.12759	8.6
191.07030	9.9
191.14284	6.2
195.11674	7.5
196.12387	1.9
197.13191	3.1
198.10349	2.7
199.11180	5.7
199.14807	6.9
201.12801	4.1
201.16409	3.1
203.14272	9.3
209.13222	4.3
211.14740	9.2
213.12743	19.2
213.16164	3.4
217.15915	2.5
221.13171	2.0
223.14798	1.6
225.12582	2.3
225.16357	3.6
227.14267	6.0
227.17879	5.7
229.15828	8.4
231.13785	11.9
236.15616	2.0
241.15808	3.0
241.19489	6.9
243.17487	1.9
251.17921	7.1
259.20587	3.2
269.16028	2.5
269.18964	51.1
279.46808	1.7
287.05530	9.7
287.12967	6.8
287.20016	100.0
288.20483	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2001
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
50.88140	2.2
55.05491	10.5
56.96545	6.7
57.07063	5.9
58.04494	2.1
59.04987	3.0
63.00038	2.9
67.05493	15.0
69.03412	4.3
69.07057	15.5
71.04972	4.7
71.35735	4.7
73.21381	2.7
79.05489	16.1
81.07050	18.5
83.04955	3.4
83.08595	5.4
85.06541	6.7
91.05466	20.5
93.07028	28.4
95.04983	22.8
95.08594	20.9
97.06503	8.9
98.98450	3.0
99.08029	2.8
99.36654	2.9
103.05457	3.5
105.07030	30.9
107.08586	36.0
109.06529	11.9
109.10128	14.8
111.08067	3.2
115.05441	3.7
117.06996	9.2
119.08565	34.4
121.06477	5.3
121.10138	36.1
123.08035	9.4
123.11688	4.9
124.99903	2.7
128.06192	4.3
129.06979	11.3
131.08553	28.9
133.10123	21.6
135.08012	7.9
135.11644	5.5
137.09639	4.2
141.06998	5.4
142.07791	12.6
143.08540	19.7
144.09300	5.1
145.10103	23.2
147.08028	7.2
147.11676	12.3
149.08481	3.7
149.09589	29.0
149.13228	5.2
151.11122	6.7
153.01814	2.7
155.08511	6.7
156.09351	11.8
157.10100	27.9
158.10895	7.1
159.08047	4.6
159.11673	24.4
159.22916	2.7
161.09625	9.3
161.13313	5.0
163.11128	2.6
167.08562	3.1
169.10103	11.8
170.10822	12.9
171.11658	27.9
172.08775	3.4
172.12236	3.1
173.09584	6.1
173.13231	30.7
175.11111	9.0
175.14827	5.7
177.12694	5.0
179.22783	2.5
180.09253	3.1
183.08072	4.5
183.11601	5.7
184.12312	2.7
185.13190	15.0
186.13988	5.4
187.11218	8.8
187.14803	7.9
189.12727	8.5
191.14290	11.8
195.11682	7.2
196.12460	2.9
197.13246	3.7
198.10408	4.7
199.11024	5.6
199.14746	5.8
203.14275	7.4
209.13287	5.4
211.14842	9.2
213.12762	22.6
213.16264	3.5
221.13109	3.7
223.14755	3.3
225.16371	5.9
227.14281	7.9
229.15895	4.2
231.13770	11.7
241.19412	8.4
251.18231	2.8
269.18988	51.3
287.05521	15.1
287.13223	3.7
287.16772	4.0
287.20026	100.0
287.23218	3.3
288.28955	7.0
305.14227	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2001
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
53.03938	2.8
55.01851	2.8
55.05492	7.1
57.03426	2.3
57.07058	7.2
59.04997	3.4
63.00028	2.4
64.61405	1.9
65.03915	1.9
67.05506	17.4
69.03423	5.4
69.07062	15.1
70.89897	1.8
71.04980	5.1
71.75290	2.3
79.05485	16.8
81.07056	17.9
83.04961	4.6
83.08586	5.1
85.06544	6.1
91.05460	17.7
93.07033	26.1
95.04954	26.8
95.08594	22.4
97.06530	12.7
98.98434	4.2
105.07024	34.3
107.04936	3.0
107.08587	32.4
109.06506	11.5
109.10119	13.3
115.05391	3.0
117.07014	12.9
119.08572	38.3
121.06491	6.7
121.10130	35.0
123.08085	7.7
123.11721	3.9
125.09595	2.5
128.06206	7.7
128.24554	1.8
129.06963	10.3
130.07744	2.2
131.08563	31.3
133.10109	20.2
135.08031	8.5
135.11652	6.0
137.09575	4.3
141.06976	4.4
142.07776	11.1
143.08548	24.2
144.09329	7.7
145.10117	27.3
147.08049	9.7
147.11668	16.4
149.09598	13.5
152.41197	1.9
155.08578	10.4
156.09329	10.7
157.10112	35.1
158.10916	8.3
159.08017	3.2
159.11665	31.7
161.09576	7.8
161.13254	8.6
163.11151	2.9
165.06995	5.8
169.10115	10.2
170.10902	10.2
171.08023	5.0
171.11673	26.3
172.12430	6.3
173.09657	4.4
173.13242	36.0
175.11154	6.9
175.14836	8.1
179.08614	3.9
180.09312	3.5
181.09961	4.4
183.11670	7.4
184.12535	2.8
185.09534	4.3
185.13246	21.9
186.13953	5.6
187.11136	10.5
187.14787	13.5
189.09187	2.2
189.12695	8.9
191.07002	9.5
191.14301	6.7
194.10887	2.1
195.11597	8.8
196.12379	3.4
197.13226	5.0
198.10393	3.4
199.11203	6.3
199.14815	10.2
201.12712	3.4
201.16368	2.8
203.14282	9.6
207.11633	3.2
209.13280	4.7
211.14828	7.8
211.16602	2.0
213.12712	26.5
213.16328	5.2
221.13397	2.1
225.16382	5.3
227.14240	11.0
229.15869	7.0
231.13768	15.2
241.15875	3.4
241.19553	8.2
251.17905	6.4
259.20612	2.4
269.18979	59.4
270.19434	2.9
287.05518	18.0
287.12860	5.7
287.16745	5.3
287.20032	100.0
287.23425	7.3
288.20547	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1638
Annotation	Estrololactone
Peak:m/z	Relative Intensity
53.03925	1.5
53.41218	1.1
55.01855	1.7
55.05499	3.9
57.07056	2.8
62.02999	1.1
63.00022	2.0
63.01773	1.1
65.03929	1.5
67.05183	1.1
67.05486	8.6
69.03418	12.4
69.07043	4.9
69.69273	7.4
69.69685	2.9
72.31995	1.1
74.34570	1.2
79.05490	8.8
81.03393	1.3
81.07051	13.4
83.04967	1.7
83.08582	2.0
85.06551	2.3
91.05483	8.3
93.07034	21.2
95.04946	7.2
95.08595	8.8
97.06511	5.1
98.98439	1.5
103.05423	1.9
105.03232	1.2
105.07018	23.2
107.04942	1.7
107.08588	17.1
108.07993	1.1
109.06503	13.4
109.10132	5.7
111.04424	9.2
113.39963	1.4
115.05466	1.7
117.07005	4.0
119.08571	13.0
121.06455	3.0
121.10130	100.0
122.10477	2.8
123.04382	1.3
123.08035	4.5
123.11681	2.4
125.00015	1.4
125.05984	25.5
129.05482	2.8
129.06964	2.5
131.08536	7.6
133.06566	1.9
133.07562	1.6
133.10136	10.1
135.04437	2.6
135.08061	2.6
135.11687	6.1
137.05971	14.9
142.07791	2.0
143.08548	6.3
144.09288	2.8
145.10094	7.7
147.08043	4.1
147.11658	3.3
149.06015	1.8
149.09587	3.8
149.13307	1.7
151.07532	20.8
155.08571	2.5
156.09268	2.4
157.10089	8.2
158.10857	3.1
159.08041	1.4
159.11682	8.9
161.09566	5.1
161.13286	2.4
163.11194	1.5
165.09102	7.2
167.07054	10.5
169.10141	3.3
170.10927	2.0
171.08136	1.3
171.11703	7.3
173.09550	2.0
173.13234	9.1
175.07468	1.9
175.11147	2.6
175.14783	1.9
177.09000	2.1
179.07124	1.4
179.10481	1.8
181.10039	1.8
183.11667	3.3
185.09492	1.4
185.13245	5.4
187.11221	3.6
187.14790	4.5
189.09084	2.1
189.12759	2.0
193.08626	1.8
195.11729	1.6
197.13231	1.5
199.11276	1.3
199.14769	3.1
201.12732	2.5
203.14316	6.9
207.10115	1.8
209.13242	2.0
211.11116	1.2
211.14761	2.4
213.12747	4.7
213.16516	3.1
215.10666	1.5
227.14247	5.7
229.12317	1.9
230.12956	2.0
231.13727	3.3
241.15912	1.6
241.19423	2.0
243.13831	1.3
244.14594	3.0
245.15341	51.8
246.15485	1.5
251.18169	1.4
252.45876	1.2
254.12816	1.4
259.17062	1.9
269.15317	6.5
269.18942	13.2
269.21921	1.7
287.05606	8.3
287.16385	73.1
287.19986	22.6
287.23389	3.1
288.16937	2.3
288.28903	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03938	0.2
55.01861	0.4
55.05497	0.4
56.96550	0.7
65.03930	0.4
66.15273	0.2
67.01826	0.4
67.05488	0.8
68.99786	2.1
69.03418	0.6
69.07061	1.6
70.09377	0.9
79.05479	1.6
81.03412	0.5
81.07042	1.6
83.04972	0.3
83.08614	0.3
85.02874	0.2
91.05490	0.4
92.89489	0.2
93.07043	1.0
95.04982	0.5
95.08583	0.8
97.06519	1.9
101.08159	0.2
103.05453	0.4
105.02744	0.2
105.03351	1.0
105.07019	0.8
107.04941	1.2
107.08561	0.8
109.02834	1.0
109.10138	0.8
111.00802	1.7
111.04429	0.6
115.05475	0.3
117.06978	0.4
119.08544	0.7
120.47606	0.2
121.02850	7.2
121.03748	0.5
121.06458	0.2
121.10114	0.7
122.26424	0.2
123.08102	0.5
127.03931	0.2
129.07013	0.7
131.08534	0.3
133.02844	0.9
133.10152	0.5
135.04404	0.5
135.08023	0.5
135.11699	0.3
137.02332	2.1
141.07025	0.3
143.00153	0.3
145.06454	0.6
145.10114	0.4
147.04393	1.2
147.11668	0.5
153.01808	11.7
157.06471	1.5
159.11674	0.4
161.01236	0.5
161.05963	0.6
161.09727	0.3
163.03891	0.8
165.01822	3.1
169.06541	0.2
171.04387	0.7
173.13268	0.3
176.04637	0.3
183.02869	2.4
185.05945	1.0
186.01544	0.4
191.07018	3.2
203.07080	0.5
213.05449	3.2
216.04120	0.2
217.04865	0.3
229.04942	0.4
231.06584	1.1
237.00681	0.4
241.04944	2.0
244.03552	0.4
258.05228	2.5
259.05984	1.0
269.04462	0.3
269.19226	0.2
269.22507	0.3
275.45209	0.2
287.05463	100.0
287.20029	0.7
287.23642	2.5
288.05789	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Kaempferol
Peak:m/z	Relative Intensity
53.03932	0.3
53.25206	0.2
55.01857	0.5
65.03927	0.3
67.01845	0.4
68.94318	0.2
68.99780	2.1
69.03415	0.2
79.05486	0.5
81.03383	0.3
88.82449	0.1
89.03904	1.9
91.05478	0.2
92.15222	0.1
93.06986	0.1
95.01308	0.5
95.04945	0.5
98.20625	0.3
100.03113	0.1
103.05466	0.3
105.03384	1.5
105.07039	0.2
107.04945	0.8
109.02882	0.3
111.00802	0.5
115.05431	0.6
116.69934	0.1
117.03364	0.7
117.06995	0.4
119.04897	0.3
121.02858	0.7
123.00772	1.0
123.04422	0.4
125.39597	0.2
128.06198	0.4
129.03310	0.2
129.06976	1.2
131.04918	1.2
135.04408	1.1
135.08031	0.6
137.02321	0.4
138.02615	0.1
139.05452	0.2
139.52548	0.1
140.58139	0.1
141.06981	0.6
143.04871	0.3
145.06474	0.8
147.04413	0.8
149.02322	3.1
153.01811	16.4
155.04836	0.2
157.02893	0.2
157.06482	1.7
160.05247	0.2
161.02298	2.4
161.05940	0.4
163.03889	0.5
165.01781	0.3
169.06470	0.4
170.02151	0.1
171.02934	0.3
171.04405	0.9
173.06023	0.2
175.03903	0.9
175.07521	0.6
185.05984	2.1
189.05444	0.7
191.03365	0.9
197.05978	0.8
199.03886	1.2
201.05405	0.2
203.03416	0.5
203.07030	1.5
205.05054	0.2
209.04445	0.3
213.05446	6.6
215.07005	0.2
216.04128	0.9
217.04913	1.4
223.02272	0.2
227.03413	0.2
229.05038	0.3
231.06508	5.9
240.04163	0.2
241.04932	16.2
242.05237	0.3
243.02853	0.3
244.03745	0.3
259.06039	1.5
269.04407	7.2
270.04828	0.2
287.05460	100.0
288.05814	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0544
Annotation	Kaempferol
Peak:m/z	Relative Intensity
54.28869	0.2
59.77657	0.2
65.03916	0.6
67.01828	0.6
68.46066	0.2
68.99439	0.3
68.99781	3.0
69.62918	0.9
69.63354	1.0
79.05470	0.9
81.03414	0.3
95.04939	0.4
103.05463	0.4
105.03373	1.0
107.04952	2.1
109.02849	1.2
111.00800	2.1
111.04413	0.7
115.05420	0.3
119.04855	0.2
121.02849	9.0
121.03766	0.3
127.03879	0.3
128.06197	0.5
129.06992	0.4
133.02834	1.2
135.04399	0.5
137.01392	0.3
137.02335	2.9
141.07011	0.4
145.06485	0.6
147.04425	1.8
153.01805	15.3
154.02155	0.4
157.06438	2.0
161.05908	0.6
165.01817	4.8
171.04359	1.1
175.03703	0.2
183.02849	1.8
185.05931	1.3
189.05447	0.4
197.05956	0.4
199.03740	0.3
203.06987	0.3
213.05449	4.4
216.04181	0.4
217.04851	0.2
229.04898	0.6
231.06500	1.4
241.04971	1.8
243.02840	0.3
243.06630	0.3
244.03685	0.7
258.05219	2.8
259.05838	1.2
269.04291	0.5
287.05457	100.0
288.05756	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39091	0.1
52.43132	0.1
53.03931	0.2
55.01843	0.3
60.21864	0.2
65.03923	0.4
67.01844	0.5
68.99780	2.8
69.03431	0.2
69.69279	0.6
69.69707	0.6
79.05470	0.8
81.03398	0.4
85.02887	0.1
91.05459	0.2
95.04955	0.5
97.02886	0.2
98.21445	0.2
104.13883	0.1
105.03381	0.8
107.04929	0.9
109.02892	0.8
111.00810	1.3
111.04419	0.5
115.05446	0.2
119.53765	0.1
121.02849	6.7
121.06469	0.2
121.42374	0.1
121.62087	0.1
127.03887	0.3
127.59802	0.1
128.06221	0.2
129.06972	0.4
133.02835	1.0
135.04388	0.6
137.02325	2.1
139.15239	0.1
141.06990	0.3
145.06505	0.7
147.04381	1.3
153.01808	11.4
154.02127	0.2
157.06480	1.5
161.02309	0.2
161.05952	0.5
165.01826	3.3
169.06529	0.2
171.04373	0.6
175.03958	0.1
183.02867	1.5
185.06001	1.2
189.05421	0.4
197.05951	0.3
201.05371	0.2
203.03357	0.2
203.07057	0.4
206.76096	0.1
213.05457	2.9
214.05948	0.2
216.04283	0.2
217.04938	0.3
229.04974	0.4
231.06476	1.1
241.04950	1.7
243.06718	0.3
245.04419	0.2
258.05173	2.1
259.05988	0.7
262.79541	0.1
269.04489	0.6
286.04626	0.2
287.05460	100.0
288.05765	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2161
Annotation	Pentazocine
Peak:m/z	Relative Intensity
65.03921	0.3
67.05487	0.8
68.66299	0.2
69.07062	0.2
71.10949	0.7
73.72405	0.2
74.16122	0.2
79.05488	0.6
81.07053	0.5
91.05482	0.4
93.05768	0.4
93.07022	0.6
94.06564	3.0
94.75703	0.2
95.08596	0.3
96.08115	0.2
105.07029	0.4
106.06541	3.4
107.06633	0.4
107.07327	5.2
108.04448	0.6
108.08113	1.6
117.05728	1.2
117.07006	0.4
118.06527	12.5
119.07304	0.5
120.08068	1.6
122.06026	4.0
124.07589	0.4
129.06996	0.5
130.06522	3.8
131.07291	2.4
131.08554	0.5
132.08099	2.1
136.07574	0.6
142.06445	0.3
143.07292	0.9
143.08339	0.2
144.08078	2.4
145.08923	0.4
146.05975	0.9
146.09653	0.9
147.06769	0.3
148.07582	0.4
154.06471	0.4
155.08481	0.3
156.08110	1.7
157.08852	1.0
158.09634	18.0
158.43544	0.2
160.07568	1.0
162.09108	0.5
168.08075	3.3
169.08855	0.6
170.09654	2.6
171.10278	0.3
172.07545	0.7
172.11244	1.2
174.09126	0.6
175.09918	0.7
181.04988	0.3
182.09631	3.8
183.10413	1.2
184.11192	2.9
186.09113	1.0
187.10042	0.2
188.10756	0.5
196.11232	1.5
197.11949	0.6
198.12801	1.6
200.10698	1.0
201.11502	0.4
210.12709	0.6
211.13507	0.4
212.14349	0.6
214.12329	0.3
214.15939	0.7
226.15825	0.4
232.16963	1.8
242.18967	0.7
258.18558	0.6
266.19034	0.4
268.20587	8.1
268.23499	0.4
269.21048	0.3
286.21622	100.0
287.05630	0.6
287.21915	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32449	1.2
52.21133	1.0
55.01834	1.2
55.05492	1.3
56.05025	1.0
56.96547	3.0
57.03424	2.0
61.02908	3.7
63.00029	1.0
65.08531	1.0
69.03405	2.7
70.06583	100.0
71.04974	2.7
71.06909	1.4
71.73544	1.6
72.08141	2.7
73.02879	1.7
79.05503	1.3
80.71680	1.0
81.03395	1.2
81.07052	7.6
82.05280	1.1
83.06097	6.5
84.04472	2.4
84.08141	2.6
85.02888	4.5
93.04505	3.8
95.06090	7.3
97.02872	2.7
109.05124	5.5
110.03510	1.2
110.07153	48.9
112.07593	81.4
116.07059	2.4
116.98601	1.4
119.01871	2.6
119.03548	1.2
124.03932	8.1
124.07549	2.1
126.07748	13.4
127.06149	2.3
136.06165	6.5
137.04570	16.4
138.07755	1.7
140.07054	51.4
154.05974	2.5
154.07224	43.6
155.05632	1.5
155.07588	1.3
156.07681	7.1
157.09726	4.5
158.06593	1.4
161.02902	2.2
163.12303	27.5
174.04340	2.0
176.07678	2.2
177.25276	1.2
182.05251	1.2
185.09282	2.6
186.04353	3.5
188.07663	2.8
190.13461	5.0
204.05417	2.7
208.14410	5.9
221.05049	1.3
224.07578	1.5
236.13887	3.7
240.17101	5.1
254.15015	10.9
268.10339	1.8
286.07858	1.8
286.11374	11.5
286.14645	2.4
286.17587	36.3
286.20825	1.3
287.10855	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2209
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05488	18.8
60.10938	4.7
67.05502	24.0
69.07059	67.9
70.15146	4.5
70.88265	10.9
70.88631	8.7
71.04973	7.8
76.62028	4.5
79.05475	18.1
81.07044	51.5
83.04968	6.0
83.08601	11.9
87.72469	4.3
91.05473	24.7
93.07023	34.5
95.04955	10.3
95.08590	51.8
97.06511	16.0
97.10164	8.3
100.74149	5.2
105.07028	77.3
107.08574	42.9
109.06507	30.9
109.10137	30.3
111.08097	6.2
116.31882	4.8
117.06978	7.9
119.08570	100.0
121.06456	19.3
121.10150	32.1
123.08035	6.1
123.11696	24.9
131.08513	10.8
131.63715	4.7
133.10110	64.9
135.08020	16.0
135.11661	19.0
137.09558	11.5
142.07782	4.6
143.08611	7.9
145.10097	31.4
146.07164	6.9
147.08075	5.7
147.11693	30.5
149.13252	5.9
157.10062	12.2
159.11668	20.3
161.09616	97.2
161.13164	10.5
168.09360	5.8
169.10094	8.0
171.11652	7.9
173.13330	5.3
175.14806	77.2
177.16307	17.5
181.04939	17.7
183.11713	7.1
185.13208	21.3
193.15886	14.5
196.12532	6.2
197.13210	8.4
199.14746	9.1
203.17822	5.4
211.14769	16.6
220.22359	4.7
257.22406	5.4
267.20963	14.7
285.07553	6.5
285.11127	9.6
285.22110	56.5
285.29794	6.4
304.09384	6.3
307.77844	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1844
Annotation	3-Hydroxy-1-methylestra-1,3,5(10)-trien-17-one
Peak:m/z	Relative Intensity
53.03916	4.5
55.01850	5.6
55.05499	14.5
57.03417	4.1
57.07066	100.0
60.08158	1.6
65.03928	4.7
67.05495	23.3
69.03400	3.0
69.07057	9.0
69.43224	8.1
69.43655	8.1
71.08615	2.3
77.03906	3.7
79.05476	16.2
80.05810	1.6
81.03391	12.5
81.07040	15.1
83.04944	2.2
83.08610	4.2
85.02888	4.3
85.06544	1.5
91.04911	2.7
91.05465	46.2
93.07060	8.1
95.04942	9.2
95.08582	5.5
98.98497	1.8
103.05463	6.0
105.03373	7.8
105.07005	12.9
107.04930	16.6
107.08555	3.5
109.06489	2.1
109.10126	6.0
111.08076	1.7
115.05430	29.4
116.06234	7.3
117.07003	46.6
118.07384	1.8
119.04881	3.2
119.08562	6.1
121.10114	2.9
127.11172	4.9
128.06229	9.2
129.06987	26.2
130.07748	3.4
131.04916	6.8
131.06830	1.4
131.08537	30.2
133.06436	3.8
133.10086	3.0
135.11662	2.0
141.06947	19.6
143.04874	3.7
143.08510	5.5
144.05655	9.0
144.08038	1.3
144.09149	1.5
145.06474	34.4
145.10132	7.3
146.06912	1.7
147.04364	2.4
147.08035	3.8
147.11639	1.8
149.05893	2.2
153.06979	8.7
154.07756	4.5
155.05994	6.9
155.08522	17.9
156.07994	2.0
157.06480	15.9
157.10109	3.8
158.07243	13.2
158.09489	2.9
159.08029	36.9
159.11690	2.4
161.05919	3.5
165.06975	3.9
169.06474	7.7
169.10114	5.0
171.01382	2.4
171.08011	4.7
172.08806	2.3
173.05927	2.5
173.09615	4.1
175.11160	2.2
178.13071	2.2
181.04951	11.7
183.08054	4.7
183.11534	1.7
185.05986	4.6
186.06720	9.5
186.08878	1.9
187.07506	49.3
193.12196	5.1
197.09653	1.6
199.11273	1.8
201.09085	5.6
201.10814	1.7
211.13293	4.1
220.80180	1.5
227.14645	1.8
236.52234	1.4
243.17377	29.3
243.19232	1.7
257.18936	5.2
267.17389	2.0
285.07755	2.8
285.11237	4.2
285.18054	55.7
285.20895	10.6
285.33313	2.8
286.18811	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1846
Annotation	Hexestrol monomethyl ether
Peak:m/z	Relative Intensity
50.67168	0.6
53.03922	2.2
55.01857	1.5
55.05502	7.0
57.03431	1.4
57.07065	6.3
63.00027	0.7
65.03923	1.1
67.05505	6.6
69.03423	3.8
69.07060	3.8
71.04975	2.4
77.03933	0.9
79.05489	7.6
81.03408	4.6
81.07044	7.0
83.08612	1.5
85.02884	2.1
91.05473	21.1
93.07042	5.1
95.04965	4.8
95.08576	3.5
97.10182	1.0
98.20649	1.5
103.05460	6.8
105.03386	0.9
105.07011	6.4
107.04949	14.3
107.08549	2.0
109.00296	0.7
115.05441	19.7
116.06210	3.0
117.07005	28.0
119.04884	1.0
119.08565	2.2
121.06473	1.6
121.10136	1.2
123.04411	1.2
123.11635	0.7
127.05391	1.7
128.06216	3.9
129.06076	1.2
129.06989	18.1
130.07808	5.4
131.04913	18.9
131.08551	12.9
133.06450	5.7
141.06972	7.5
143.04906	4.0
143.08540	2.3
144.05705	10.7
145.06471	51.3
145.10103	2.0
146.07005	1.0
147.04366	0.8
147.08029	2.4
147.11658	1.3
148.05116	1.4
149.05966	15.9
149.09511	0.7
153.06960	2.0
154.07750	0.9
155.04869	1.1
155.06010	7.0
155.08566	4.3
157.06482	20.0
157.10129	1.3
158.07272	12.4
159.08041	16.8
167.08604	0.8
169.07608	1.9
169.10109	1.2
171.01387	1.0
171.08057	3.4
172.08852	0.8
173.05940	1.7
173.09616	3.3
173.13072	0.9
175.11157	1.1
179.08609	1.0
181.04935	6.6
182.07227	2.8
183.08018	2.2
185.06013	3.7
185.09671	1.0
187.07536	1.2
193.12245	1.7
196.08577	0.7
199.07602	1.8
201.09088	2.0
215.17966	0.7
241.15739	0.8
243.17427	6.5
253.08533	0.9
285.11633	2.2
285.18451	100.0
285.33237	1.2
286.18750	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.8
55.01852	6.4
55.05502	28.7
57.03428	47.4
57.07072	3.7
64.24266	1.9
67.05496	41.4
69.03412	7.8
69.07062	11.8
69.94800	3.9
69.95212	9.5
71.04980	12.6
76.99210	1.9
79.05486	41.5
81.03408	94.5
81.06596	3.3
81.07046	49.4
82.69630	1.9
83.04980	21.2
83.08607	38.7
85.02894	90.4
85.06509	4.3
87.04472	2.7
91.05469	45.3
93.07034	32.3
95.04956	40.7
95.08578	18.3
97.02875	4.4
97.06514	8.6
97.10149	4.5
98.06057	1.9
103.05457	2.9
105.07016	36.9
107.04931	7.8
107.08582	11.4
109.06496	7.6
109.10126	8.0
111.04416	8.6
111.08073	21.5
113.05972	8.1
115.05456	2.5
117.07010	4.1
119.08564	28.0
121.06516	4.3
121.10152	13.5
122.09145	2.0
123.08034	7.2
123.11673	4.9
129.06993	16.4
131.04889	2.8
131.08562	21.3
133.06476	4.2
133.10123	14.9
135.04414	4.5
135.11664	2.1
137.09624	2.5
142.07805	2.2
143.08548	2.1
145.10127	5.0
147.08035	4.6
147.11674	30.7
149.09579	9.9
157.10095	23.6
165.12738	5.5
175.11174	25.3
181.04930	22.5
193.12221	100.0
194.12515	3.0
211.11224	3.9
211.13263	80.2
267.16101	2.1
285.07794	3.5
285.11203	8.8
285.16852	57.4
285.20172	2.1
285.29532	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.7
55.05502	37.9
57.03428	81.4
57.07067	72.8
59.04350	4.7
67.05504	54.9
69.03417	6.7
69.07056	39.7
71.04968	8.5
71.08622	47.5
71.75947	5.3
79.05482	49.1
81.03407	84.6
81.07050	66.6
83.04965	25.8
83.08612	45.4
85.02895	93.3
85.06485	5.4
85.10193	23.8
89.05972	4.4
91.05470	62.9
93.07035	27.8
95.04958	41.2
95.08601	50.4
96.08090	4.5
96.08804	4.7
97.06521	11.5
97.10150	13.2
98.98425	5.4
104.71741	4.8
105.07016	44.0
107.04936	7.0
107.08563	19.3
109.06484	8.8
109.10139	15.2
111.08076	28.9
111.11720	8.0
111.57165	4.2
113.06007	8.9
119.08569	36.8
121.10149	12.9
123.08086	5.7
123.11674	13.4
129.06976	15.5
131.08537	23.5
133.06422	5.2
133.10110	17.9
135.08078	4.5
145.10095	8.9
147.08043	6.7
147.11674	29.7
149.09592	10.7
157.10118	21.1
175.11176	26.4
181.04948	50.6
182.65396	5.1
193.12209	100.0
211.13245	69.5
211.20647	6.6
242.05701	5.2
244.54175	5.8
285.07526	14.3
285.11172	18.1
285.16641	51.0
285.24319	74.6
285.29422	7.6
285.33304	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.3
55.01846	5.5
55.05506	21.7
57.03162	2.2
57.03429	38.7
57.07072	1.6
58.55751	1.3
59.04994	2.0
65.03928	2.0
67.05496	42.6
69.03437	7.8
69.07062	11.8
70.00627	2.1
70.01040	4.9
71.04978	7.6
74.12681	1.4
77.15432	1.3
79.05482	39.3
81.03405	100.0
81.07043	51.3
82.03748	1.5
83.04973	18.4
83.08609	28.5
85.02893	55.2
85.06515	3.4
85.62045	1.4
86.03230	1.9
87.04457	2.2
87.20718	1.2
88.39015	1.3
90.04813	1.2
91.04910	2.7
91.05467	51.8
93.06503	2.1
93.07037	27.5
95.04951	49.6
95.08599	16.5
95.55854	1.4
97.02867	5.7
97.06521	7.9
97.10158	4.8
98.20733	1.5
103.61102	1.3
105.01878	1.3
105.07015	33.5
107.04951	6.2
107.08577	14.6
109.06513	11.4
109.10130	3.4
109.46407	1.5
111.04427	5.3
111.08064	15.7
113.05968	4.3
115.05435	2.2
117.06967	3.8
119.08556	32.1
121.06451	2.3
121.10133	12.5
123.08057	3.7
123.11695	4.0
125.09614	2.5
128.04224	1.6
129.06995	16.0
131.08549	16.6
133.06465	5.5
133.10124	15.6
135.08049	4.8
135.11687	1.7
137.05928	1.4
137.09566	2.4
142.07727	4.8
145.04974	1.9
145.10083	3.2
147.07999	5.7
147.11671	30.0
149.09583	8.9
151.11176	4.1
157.10101	21.3
161.84352	2.0
165.06998	1.5
165.12729	10.3
175.11160	26.8
181.04967	3.6
184.08754	3.6
185.09464	2.3
185.28891	1.3
193.12216	80.0
194.12532	3.4
197.05997	3.1
211.13268	44.0
212.08267	4.1
212.13513	1.7
213.09143	2.2
213.12694	1.8
225.08981	1.9
229.14314	4.5
241.12198	6.2
253.08507	1.9
267.15906	6.3
268.09863	1.7
285.07947	2.9
285.11285	7.9
285.16913	42.9
286.17288	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88681	0.8
53.03935	4.0
55.01859	2.3
55.05505	6.9
57.03430	6.4
65.03931	1.3
67.05500	11.2
69.03413	2.4
69.07059	1.6
70.87273	1.3
70.87634	3.1
71.04967	2.1
79.05487	12.5
81.03414	100.0
81.06676	1.1
81.07055	13.6
83.04967	4.8
83.08610	20.7
85.02908	7.2
85.06525	1.3
91.05475	16.2
93.07031	8.0
95.04391	1.8
95.04961	27.8
95.08592	3.4
97.02902	2.4
105.07024	10.3
107.04933	5.5
107.08563	3.5
109.06482	3.1
109.10130	1.4
111.04404	1.1
111.08073	11.5
113.05998	1.1
117.07035	1.2
119.04912	1.2
119.08566	9.9
121.06426	1.2
121.10135	6.1
123.08090	1.4
129.07004	8.2
131.08553	7.3
133.06477	2.4
133.10101	3.4
137.09589	1.0
142.07762	1.9
147.08046	3.5
147.11664	8.2
149.09596	4.8
157.10132	13.2
161.05998	1.0
165.12820	2.6
175.11208	11.5
181.04971	1.6
193.12242	40.7
194.12337	1.2
211.13304	9.0
230.19330	1.4
249.14738	1.1
253.08612	2.1
255.03769	1.0
267.15887	10.7
285.11276	3.9
285.16913	6.2
303.78940	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03930	4.8
55.01863	3.2
55.05509	16.1
57.03433	32.3
59.04987	1.8
67.05493	27.8
67.51808	1.5
69.03416	4.9
69.07046	5.4
69.68598	3.8
69.69026	9.5
71.04993	8.9
79.05486	25.2
81.03409	100.0
81.06596	2.7
81.07042	33.6
83.04978	11.5
83.08607	26.8
85.02894	50.1
85.06532	2.7
91.05472	30.9
93.07036	16.7
95.04954	32.3
95.08591	8.4
97.02885	2.5
97.06520	5.3
97.10178	1.9
105.07018	21.2
107.04949	6.2
107.08590	5.5
109.06510	5.8
109.10117	4.1
111.04427	2.2
111.08057	15.5
113.05956	3.9
119.08572	20.7
121.10120	11.3
123.08088	3.1
123.11687	4.1
129.07007	11.2
131.08551	7.4
133.06459	2.7
133.10106	10.6
137.09619	2.2
142.07796	1.9
145.10074	2.0
147.08003	3.2
147.11682	23.5
149.09581	5.0
157.10074	16.5
163.13373	2.1
165.12747	8.0
175.11157	21.5
193.12224	81.3
194.12517	2.0
211.13275	47.6
212.13573	1.7
229.14420	5.9
240.05188	1.7
267.15869	6.7
285.03738	4.1
285.16922	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03926	3.9
53.76266	1.1
55.01853	4.1
55.05272	1.5
55.05504	22.4
57.03429	48.2
57.07063	1.4
59.04989	1.5
65.03905	2.2
67.05495	34.5
69.03405	6.9
69.07060	8.9
70.91833	1.2
70.92176	2.9
71.04660	1.1
71.04989	10.6
75.25126	1.5
79.05483	33.9
81.03407	100.0
81.07044	50.3
83.04967	19.0
83.08607	28.3
85.02893	71.9
85.06506	3.6
87.60152	1.2
91.04913	2.4
91.05470	44.0
93.07030	24.5
95.04952	36.5
95.08587	17.7
97.02877	5.7
97.06506	6.4
97.10130	2.3
105.07013	31.4
106.07317	1.2
107.04920	7.6
107.08594	9.9
109.06512	5.9
109.10132	3.2
111.04417	4.1
111.08064	21.3
113.05985	6.4
115.05402	1.6
115.54581	1.2
117.06931	1.6
119.07723	2.0
119.08559	29.5
121.06460	1.5
121.10138	12.2
123.08028	4.5
123.11651	3.6
125.09605	1.8
129.06990	16.3
131.08553	14.9
133.06451	2.9
133.10115	16.4
137.09619	2.2
142.07719	4.1
145.10088	2.2
147.08067	3.9
147.11661	22.9
149.09608	10.0
149.12212	1.3
151.11157	1.3
151.23367	1.3
157.10110	20.8
165.12744	5.8
170.42755	1.4
175.11157	25.0
181.04945	1.9
193.12219	79.3
194.12584	2.3
207.83722	1.2
211.13252	42.6
212.13640	1.3
229.14305	2.1
267.15945	5.7
277.79501	1.1
285.16898	49.8
286.17084	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.4
55.01864	3.5
55.05505	14.2
57.03430	26.5
65.03919	2.0
67.05493	25.1
69.03410	2.6
69.07043	5.6
69.45254	1.1
70.16084	4.3
70.16489	2.3
71.04974	6.3
74.33834	1.2
79.05023	1.8
79.05479	27.6
81.03404	100.0
81.07042	26.3
82.03735	1.4
83.04961	10.1
83.08605	30.9
85.02895	44.9
85.06528	2.0
91.05467	28.4
93.07040	15.3
95.04958	34.8
95.08591	11.2
97.02876	3.4
97.06506	4.1
97.10147	2.5
98.21437	1.5
99.08043	1.7
105.07005	23.6
107.04926	5.8
107.08550	7.9
109.06509	5.0
109.10158	2.6
111.04436	3.6
111.08060	16.1
113.05993	4.0
115.05446	1.6
119.08558	18.6
121.06489	1.8
121.10114	10.8
123.08049	2.7
123.11705	3.0
129.06956	9.8
131.08569	9.1
133.06508	2.4
133.10110	7.7
137.09579	2.1
142.07724	3.1
145.10066	1.3
147.08025	3.0
147.11670	18.3
149.09592	7.9
157.10080	16.1
165.12794	6.0
175.11165	21.8
181.37413	1.2
193.12210	68.7
194.12790	1.6
211.13277	39.1
229.14349	4.7
267.15839	7.2
285.16937	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.9
53.19781	2.0
55.01869	5.5
55.05505	27.3
57.03432	55.8
67.05496	36.7
67.20780	2.1
67.32700	2.4
69.03410	5.2
69.07064	8.5
70.98741	4.7
70.99086	2.4
71.04993	12.4
79.05482	35.2
81.03408	100.0
81.07047	50.2
83.04964	20.1
83.08609	38.8
85.02372	4.1
85.02892	81.2
85.06539	3.1
91.05470	56.3
93.07032	27.0
95.04954	42.4
95.05560	2.1
95.08594	19.0
96.32895	1.9
97.02859	3.9
97.06539	5.2
97.10145	5.2
105.07017	37.6
107.04959	7.6
107.08576	12.7
109.06528	8.2
109.10120	3.9
111.04425	5.5
111.08047	21.7
113.05972	7.1
115.05442	2.4
119.08559	31.5
121.10125	14.7
123.08071	4.5
123.11687	4.7
129.06975	17.1
131.08536	16.9
133.06519	3.7
133.10100	14.2
142.07750	5.5
144.89069	1.9
147.08054	3.8
147.11665	24.4
149.09610	8.4
150.78743	2.2
153.34195	2.2
157.10103	23.5
165.12738	3.3
175.11177	24.0
183.33322	2.2
193.12228	87.0
211.13275	54.1
212.13571	2.8
224.52638	2.4
251.60107	2.0
267.15948	3.2
279.70093	1.9
285.16925	53.8
286.17435	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44629	1.4
53.03921	4.2
55.01855	6.5
55.05499	29.7
56.96540	7.6
57.03158	2.7
57.03427	51.7
57.07063	2.2
63.00033	2.5
65.03918	2.9
67.05492	41.0
67.64009	2.0
69.03410	7.4
69.07051	17.8
71.04986	12.3
71.74788	3.0
74.29706	1.6
79.05476	38.9
81.03404	100.0
81.07042	50.8
82.03757	2.6
83.04976	21.3
83.08606	39.0
85.02892	99.5
85.06518	2.7
87.04470	2.6
91.05466	42.7
93.07035	28.2
95.04951	50.9
95.08580	21.6
97.02866	3.1
97.06509	27.9
97.10153	5.3
99.04503	1.4
99.08051	2.0
103.05469	2.1
105.07011	36.4
105.93347	1.5
107.04945	8.6
107.08570	14.2
107.61776	1.5
109.06472	8.6
109.10120	6.8
111.04414	3.7
111.08054	20.1
113.05984	8.3
115.05419	3.3
116.06256	1.8
117.03329	1.7
117.07005	2.4
119.08563	32.3
121.06461	2.0
121.10128	15.7
123.08047	4.1
123.11644	3.9
125.09621	1.8
126.24451	1.6
129.06996	15.7
131.04880	3.9
131.08548	19.7
133.06459	5.1
133.10100	15.1
135.04350	2.2
137.09608	3.8
139.59822	1.9
141.49783	1.6
142.07759	4.3
143.00145	4.2
143.08539	1.9
145.10086	3.4
147.08020	4.6
147.11668	29.8
149.09627	10.6
151.07550	2.1
155.08630	2.3
157.10110	20.7
160.97672	2.1
161.01202	5.5
161.05954	2.2
163.03935	7.7
165.06975	1.7
165.12691	6.8
173.09679	1.9
175.11171	29.1
181.04942	13.1
184.29556	2.0
189.00630	2.0
189.09010	2.0
193.12219	95.7
194.12590	2.8
199.07446	1.9
211.11203	3.3
211.13255	67.4
215.06891	2.3
225.09023	2.3
229.14389	2.0
231.01797	1.8
241.08517	3.1
241.12202	5.0
243.06416	2.9
245.05617	1.9
249.02647	2.2
253.08549	2.6
254.06317	1.7
259.09619	7.3
267.03903	2.6
285.08029	3.0
285.11227	12.4
285.16815	51.1
285.21576	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0987
Annotation	Guanosine
Peak:m/z	Relative Intensity
54.21812	0.4
61.23311	0.4
66.56557	0.4
70.77101	1.2
85.02877	0.5
90.62965	0.4
100.53509	0.5
109.05124	0.6
110.03488	1.4
119.42515	0.4
123.53831	0.4
128.04539	1.2
135.02982	3.9
136.06165	0.6
152.05649	100.0
153.04083	7.1
153.06094	0.5
194.02939	0.4
208.58861	0.5
212.00774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0986
Annotation	38819-10-2
Peak:m/z	Relative Intensity
55.01850	0.7
55.02976	1.8
56.96566	1.6
57.03416	1.3
61.02911	0.7
69.03419	1.1
70.06580	1.6
70.73486	0.9
70.73842	2.2
71.01338	3.3
73.02905	1.7
73.07468	0.6
75.16200	0.7
79.49986	0.6
82.04056	1.7
84.08112	1.1
85.02903	1.8
87.04440	0.7
94.04063	1.0
95.06067	1.2
97.02883	1.4
97.05125	0.8
98.03519	1.6
99.05575	0.7
105.87628	0.7
109.05106	4.5
110.03513	4.6
110.07083	0.9
115.03873	1.2
119.03483	1.3
121.05096	1.0
124.06170	0.9
125.04575	4.8
125.06980	1.6
125.85665	0.8
126.07731	3.5
127.06145	9.3
128.04532	2.4
128.43047	0.7
135.03008	2.4
136.06171	100.0
137.04576	8.7
138.07735	1.4
148.06216	0.8
150.07761	1.4
152.05661	89.7
153.06439	0.9
154.07220	12.4
155.05612	1.0
161.04585	2.0
164.05725	0.8
176.07584	0.8
177.04245	1.1
178.07254	2.2
178.18759	0.8
188.07553	1.2
194.06747	1.3
196.08339	1.6
203.07379	1.0
204.05426	1.6
218.93771	0.8
220.08319	1.3
225.15901	1.1
232.03450	0.8
233.06834	0.9
256.10495	1.0
266.08862	2.2
284.09875	23.0
284.12985	1.7
284.29480	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61879	0.9
53.03943	7.5
54.90262	0.9
55.01867	9.3
55.05503	1.2
56.73693	0.9
57.03435	7.6
59.04996	0.9
60.04522	1.6
60.12021	0.9
61.02923	8.1
68.99775	2.9
69.03424	39.7
70.80155	1.9
70.80514	3.1
71.04986	6.3
73.02905	10.4
76.03986	1.4
79.05486	1.6
79.29186	0.9
80.05009	2.1
81.03408	29.9
83.01335	2.0
85.02896	100.0
87.00818	40.6
87.04480	2.1
89.71817	1.1
91.03948	4.3
93.07072	1.2
97.02882	57.6
99.04446	18.5
105.01858	53.7
108.04474	11.1
109.02866	31.0
109.03622	1.6
115.03905	1.7
117.01842	4.4
126.05524	4.2
127.03902	93.4
129.01804	5.1
129.76698	1.0
136.19336	1.4
141.01772	1.2
145.04944	70.7
147.02892	3.5
159.02882	26.5
181.04893	1.6
197.12613	1.0
213.03989	3.0
230.06667	2.7
231.04985	23.6
231.07095	2.0
238.13882	1.0
248.07729	3.1
249.06020	6.3
284.09793	2.9
284.29465	3.9
301.90515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50159	1.5
53.03940	5.4
55.01863	7.4
55.05502	2.7
56.96563	2.7
57.03430	9.7
57.07072	1.2
60.04517	1.6
61.02912	6.2
63.00031	1.7
65.23974	1.3
67.05494	2.2
68.99777	3.3
69.03419	40.6
69.07059	2.2
69.69705	5.1
69.70123	3.9
70.06583	1.4
71.04985	5.6
73.02908	11.7
79.05479	3.6
80.59885	1.6
81.03406	29.0
81.07055	2.2
83.01350	1.7
83.04963	1.6
85.02895	100.0
87.00817	38.1
91.03943	2.0
93.07015	2.0
95.04972	2.0
97.02879	53.1
97.06531	5.3
98.98386	1.5
99.04444	19.2
105.01856	64.6
105.07029	2.5
108.04462	7.9
109.02869	26.8
109.03600	1.7
109.10140	1.2
115.03871	1.4
117.01830	3.8
126.05487	5.0
127.03900	90.7
129.01842	4.7
145.04941	60.3
147.02921	4.2
159.02870	22.8
164.11513	1.6
173.01288	1.9
177.03949	2.0
178.82149	1.3
189.03966	1.9
210.21019	1.4
213.03888	2.1
221.48111	1.4
230.06630	2.9
231.04987	20.5
242.09074	1.9
243.06555	2.1
244.87389	1.3
248.07680	3.1
249.05981	8.9
272.60150	1.4
284.09839	3.9
284.16074	1.5
284.29340	9.4
285.11148	3.3
287.66052	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2054
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
53.03937	2.1
53.78052	1.1
55.01855	2.1
55.05514	9.0
57.03418	3.6
57.07047	3.0
63.99529	1.1
65.03923	1.3
67.05502	17.7
67.34887	1.2
69.03416	5.8
69.06797	0.9
69.07064	9.8
71.04984	9.0
72.26184	1.2
77.03921	1.1
79.05482	15.4
79.13481	1.2
81.03391	1.5
81.06599	1.6
81.07047	25.8
83.04964	4.7
83.08601	4.9
85.06529	2.4
89.06023	2.0
91.05475	17.4
93.06438	1.4
93.07036	25.4
95.04955	9.7
95.08593	18.4
97.06497	3.3
101.45183	1.1
103.05457	2.5
105.07019	44.0
105.07717	2.5
107.04924	2.0
107.08585	20.9
109.06495	6.0
109.10153	14.0
111.04372	1.8
111.08041	2.8
115.05436	1.7
117.07002	8.7
119.08572	31.4
121.06493	7.7
121.10136	100.0
123.08063	9.9
123.11735	7.1
123.12473	1.1
125.05959	1.4
128.06183	3.4
129.07007	6.0
130.07753	5.2
131.08554	23.9
133.06555	1.9
133.07581	1.4
133.10118	21.7
135.08023	7.8
135.11664	9.3
137.09576	2.0
141.06999	1.4
142.07747	4.9
143.08543	15.7
144.09296	3.0
145.06435	1.7
145.10115	34.3
146.07228	3.2
146.10408	1.2
147.08038	3.0
147.11687	6.7
149.09586	2.5
149.13297	2.4
153.06943	1.4
155.08551	5.5
156.09308	4.7
157.10129	17.7
158.07228	1.4
158.10904	6.8
159.08060	2.5
159.11685	13.5
161.09619	24.5
161.13249	4.7
163.11166	6.3
165.07004	2.1
167.08548	3.7
168.09439	1.3
169.10097	3.7
170.10893	2.8
171.08023	1.7
171.11702	11.4
173.09622	3.9
173.13251	44.4
175.11179	4.5
175.14778	5.8
179.08565	4.2
180.09357	2.7
181.10139	5.9
183.11662	5.4
185.09595	3.1
185.13249	8.7
187.11180	1.4
187.14836	7.3
189.12701	3.1
191.14305	2.2
193.10097	2.7
194.10928	3.2
195.11688	8.7
197.13246	3.1
199.11156	2.1
199.14842	5.8
201.12741	2.7
201.16356	2.3
207.11812	1.5
208.12494	2.8
209.13255	13.5
211.14819	2.7
213.12778	3.9
213.16357	3.8
215.14212	1.6
223.14743	7.9
223.90450	1.3
225.16357	4.3
227.14560	5.4
228.90837	1.1
235.14766	2.0
237.16344	1.5
239.17590	1.2
250.17210	1.8
255.21127	3.3
265.19543	19.5
283.15488	3.5
283.20551	81.2
284.20847	1.7
284.29471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2052
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
55.04919	1.5
55.05485	7.5
57.07061	2.6
65.03934	2.5
67.05493	16.2
69.03413	5.7
69.07052	8.5
71.04972	5.8
79.05483	16.3
79.32458	1.5
81.07047	26.3
83.04983	3.1
83.08598	4.5
91.05476	20.0
93.07030	27.1
94.78154	1.3
95.04962	12.1
95.08600	24.1
97.06510	4.2
97.77563	1.8
98.20631	3.0
101.02439	2.0
103.05443	1.8
105.07014	47.5
107.07890	2.4
107.08578	26.6
109.06487	6.4
109.10145	14.5
115.05437	2.7
117.07016	9.9
119.08558	36.5
121.06470	7.1
121.10133	74.5
123.08044	7.2
123.11678	7.8
128.06163	4.1
129.07019	9.1
130.07721	2.7
131.08546	27.9
133.10123	27.5
135.08037	8.3
135.11679	8.1
142.07755	5.7
143.08565	18.0
144.09293	5.0
145.10117	34.9
146.07248	2.6
147.07985	3.3
147.11664	12.2
149.09584	2.8
149.13242	3.1
155.08517	3.7
156.09300	6.2
157.10129	21.0
158.10895	6.3
159.07986	3.8
159.11668	15.9
161.09573	23.2
161.13231	7.2
163.11105	3.5
167.08496	2.1
169.10071	5.1
170.10878	2.3
171.07999	3.0
171.11671	15.2
173.09615	3.8
173.13242	46.7
174.13527	3.2
175.11136	5.3
175.14803	7.6
179.08521	4.8
180.09337	2.3
181.10112	6.6
183.11661	6.9
185.09628	2.9
185.13269	8.7
187.11127	1.9
187.14806	10.8
189.12724	4.4
191.14299	2.0
193.10112	2.8
194.10849	4.0
195.11676	6.7
197.13229	7.0
199.14865	7.8
201.16292	3.5
207.11729	2.7
209.13274	13.7
213.12756	4.8
213.16339	5.6
223.14798	9.9
223.82816	1.7
224.15373	2.0
225.16408	3.9
227.14291	8.8
235.14757	3.1
241.15805	2.9
241.19118	1.7
250.17322	2.0
255.21028	9.5
265.19525	22.1
283.20514	100.0
284.20871	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.4
55.01674	1.9
55.01870	19.9
55.05510	25.6
55.34381	1.8
56.96568	1.7
57.03430	11.8
57.07060	2.7
67.05501	42.2
69.03418	6.8
69.07066	64.2
71.04980	9.4
71.14242	2.5
71.14577	2.9
73.02915	3.0
79.05488	73.2
81.03421	10.9
81.07050	66.1
81.07536	2.6
83.01333	2.2
83.04985	19.2
83.08607	13.5
85.02899	16.5
85.06541	2.3
87.00820	6.9
89.06033	3.1
91.05470	49.5
93.07030	45.3
95.04958	12.6
95.08601	35.4
97.02900	11.8
97.06519	24.3
97.10163	3.6
99.04451	5.6
99.08076	2.2
105.01860	11.1
105.03300	2.2
105.07026	27.9
107.04941	7.8
107.08585	100.0
109.02883	8.2
109.06507	9.1
109.10143	11.0
111.04424	6.7
111.08074	5.1
113.05995	4.2
115.07557	2.2
115.89530	2.1
117.07017	16.3
119.08569	24.1
121.06491	4.1
121.10126	38.2
123.08050	7.1
123.11686	4.9
125.05962	4.1
125.09626	41.3
127.03911	18.8
129.06996	4.1
131.08554	54.1
133.06503	2.2
133.10115	21.0
135.08041	5.7
135.11685	10.2
137.09586	5.8
139.11162	10.6
141.07007	2.3
143.07019	20.8
143.08594	4.5
145.04971	15.5
145.10115	24.2
147.11700	6.6
149.09616	17.5
151.11186	2.6
153.09116	12.6
153.12613	2.9
155.08546	3.8
157.10196	3.2
159.02901	5.5
159.11679	8.7
161.08086	5.2
161.09467	1.9
161.13167	3.0
163.11183	18.5
165.09067	3.9
167.10669	9.9
169.10114	2.8
173.09554	4.2
173.13245	9.7
177.09126	5.3
181.12254	4.2
183.10120	2.9
185.13179	3.7
191.10703	5.3
195.10146	4.4
201.16376	32.3
209.11719	5.3
211.14812	2.7
213.11189	2.7
219.17317	9.6
227.12769	5.7
229.15863	4.3
231.05064	4.4
241.08508	2.4
247.16940	13.4
265.18039	6.6
283.06412	2.8
283.09592	6.3
283.15643	10.7
283.20294	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.6
55.01863	50.6
55.05505	52.7
56.96551	2.6
57.03431	49.5
57.07053	5.8
59.04980	8.9
60.73230	1.7
61.02877	1.8
65.03900	2.6
67.05496	47.5
69.03420	14.7
69.07054	17.4
71.01327	2.3
71.04987	12.9
71.74706	2.9
73.02890	2.0
79.05488	63.5
81.03405	33.0
81.07043	53.6
81.07399	1.2
81.07520	2.0
83.01337	23.5
83.04968	88.7
83.08603	34.8
85.02893	40.0
85.06529	6.4
87.00826	10.7
91.05470	35.4
93.07033	83.5
93.07530	2.2
93.72934	1.8
95.04937	16.5
95.08587	25.7
95.78616	2.1
97.02882	15.4
97.06516	29.2
97.10155	4.2
99.04458	11.5
99.08096	2.6
105.01861	14.9
105.07011	21.5
107.04946	23.8
107.08575	39.9
107.09227	1.4
108.04432	2.3
109.02855	9.7
109.06525	14.5
109.10135	17.0
111.04427	32.3
111.08073	15.0
117.06999	20.9
118.31359	2.1
119.08559	21.7
121.02833	3.8
121.06498	8.7
121.10134	29.3
123.08038	12.2
125.05982	6.5
125.09621	3.1
127.03903	21.8
129.06989	6.4
129.81577	1.9
130.07805	3.1
131.08554	7.5
133.10106	5.3
135.08076	4.6
135.11674	51.3
135.12637	4.0
137.09613	6.5
139.07545	2.7
140.83818	1.9
142.90524	1.9
143.02167	1.8
143.08513	2.1
145.04926	18.1
145.06514	4.8
145.10100	44.0
147.08047	6.6
147.11647	2.7
149.09634	4.9
153.12726	75.9
155.08508	3.1
159.02879	7.9
163.11157	76.1
173.09602	11.4
181.12212	45.8
185.13675	2.7
191.10645	18.8
199.13326	3.4
209.11708	12.7
227.10738	2.1
227.12737	45.4
228.13016	3.4
231.04991	5.6
239.67798	1.9
264.44757	1.9
283.06003	5.2
283.09723	5.7
283.15424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.0
55.01864	5.4
55.05233	1.0
55.05500	13.9
57.03196	0.9
57.03429	13.9
57.07065	1.5
65.03918	1.4
67.05495	19.9
69.03416	2.9
69.07051	9.1
69.44601	8.9
71.04977	3.9
73.02915	2.1
79.05481	32.0
81.03397	4.0
81.07042	24.1
83.01325	1.0
83.04968	8.1
83.08601	8.0
85.02884	3.1
91.05465	11.4
93.07029	43.9
95.04960	8.1
95.08589	41.3
97.02856	6.2
97.06507	4.6
97.10145	1.0
99.04438	6.6
105.07010	10.4
107.04940	14.3
107.08575	30.1
109.06495	2.9
109.10134	3.2
111.04396	2.9
111.08058	2.4
113.06021	1.1
117.06997	12.5
119.08563	12.9
121.06491	7.2
121.10128	15.2
121.41141	0.9
123.08034	1.4
125.05960	4.5
127.03873	2.4
129.06960	1.1
130.07755	3.4
131.08546	1.6
133.10112	3.3
135.08043	2.9
135.11673	54.6
136.12042	1.4
139.07503	2.4
143.08522	1.5
145.04959	1.5
145.06500	1.1
145.10100	27.8
145.11221	1.8
149.09566	1.1
153.12733	3.8
155.00160	0.9
163.11153	73.6
173.09666	1.8
181.12186	17.9
191.10674	1.1
209.11644	2.0
227.12741	100.0
228.13089	2.5
231.05104	1.1
283.05875	2.2
283.10165	1.4
283.15405	27.7
283.20230	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01871	7.7
55.05505	18.1
56.96568	1.3
57.03194	1.6
57.03432	19.5
57.07057	1.6
64.55014	1.4
67.05494	29.8
69.03407	4.6
69.07054	12.7
69.85734	8.2
71.04979	6.2
73.02903	2.0
79.05482	38.7
81.03410	7.1
81.06593	2.7
81.07043	34.3
83.01325	1.3
83.04972	9.9
83.08603	13.8
85.02867	2.1
89.06028	1.3
91.05457	13.1
93.07034	56.4
95.04952	14.1
95.08594	49.7
95.13428	1.3
97.02888	7.7
97.06486	6.6
97.10128	2.0
99.04439	6.7
103.05455	2.4
105.06987	10.7
107.04955	16.2
107.07995	1.8
107.08582	40.2
109.06509	5.9
109.10112	4.7
111.04427	7.1
111.08062	2.9
117.06987	15.1
119.04931	1.7
119.08560	16.1
121.06498	8.8
121.10112	17.0
123.08106	1.8
125.05175	1.4
125.05991	5.4
129.06984	1.7
130.07715	3.6
131.08546	3.4
131.79158	1.4
133.10130	5.0
135.08067	2.1
135.11674	61.8
143.08574	1.8
145.10110	37.1
147.08037	2.0
153.12756	5.0
155.08578	1.5
163.11165	84.5
173.09593	3.0
181.12196	20.8
181.13774	1.8
191.10696	5.4
195.11546	2.1
200.24454	1.7
205.93703	1.6
209.11743	6.3
212.22388	1.5
227.12753	100.0
228.12999	2.6
251.11366	1.5
269.12357	5.5
283.06073	5.3
283.09940	3.4
283.15259	69.7
284.15820	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01076	1.0
53.03926	3.6
55.01864	7.1
55.05500	14.9
57.03203	1.1
57.03431	13.5
57.07047	1.4
65.91273	1.0
67.05490	24.8
69.03407	2.3
69.07056	9.6
69.64474	7.3
71.04977	5.2
73.02901	2.8
79.05483	36.2
81.03403	6.2
81.06596	2.1
81.07045	26.8
83.01320	1.7
83.04961	9.1
83.08609	12.1
85.02885	2.2
85.06553	1.2
87.61482	1.0
91.05464	14.0
93.07030	50.9
95.04957	12.0
95.08589	44.9
96.05326	1.1
97.02891	5.1
97.06513	6.7
97.10154	1.5
99.04452	5.5
104.45520	1.0
105.07008	9.4
107.04947	14.7
107.08577	34.3
109.06490	4.3
109.10136	4.2
111.04413	6.6
111.08059	3.0
113.05952	1.5
113.09672	1.2
117.07007	14.0
119.08564	13.6
121.02843	2.8
121.06475	8.2
121.10125	17.5
123.08044	1.8
125.05978	4.5
129.06995	2.1
130.07718	2.4
131.04881	1.1
131.08522	2.2
133.10106	4.2
135.08046	2.1
135.11668	58.4
136.12091	1.4
139.07550	2.4
143.08565	1.1
145.10103	34.0
149.09595	1.6
153.12766	4.3
155.08516	1.5
163.04169	1.0
163.11157	77.1
164.11476	1.4
173.09586	3.9
181.12219	18.7
191.10593	2.2
209.11717	7.2
225.65981	1.3
227.12743	100.0
228.13048	2.4
255.15782	1.4
283.15347	30.5
283.20502	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.1
55.01628	3.9
55.01870	43.2
55.05503	56.1
57.03161	2.5
57.03433	50.3
57.07059	4.8
59.04985	9.5
60.05583	2.1
65.03928	4.1
67.05496	52.9
69.03421	3.8
69.07072	19.5
71.01363	3.2
71.04975	13.9
71.74476	3.5
79.05489	69.2
81.03416	36.9
81.07047	54.8
83.01339	24.6
83.04975	72.3
83.08608	39.7
85.02892	15.2
85.06541	6.2
89.94129	2.5
91.05466	39.0
93.07039	88.4
95.04961	24.0
95.08592	34.6
97.02860	10.5
97.06533	25.8
97.10145	3.0
98.97557	4.0
99.04433	11.8
103.05441	4.4
105.07019	22.5
107.04936	33.8
107.08588	46.1
109.02885	6.4
109.06504	17.6
109.10159	14.6
111.04436	27.7
111.08058	12.5
113.05977	2.7
117.07032	22.3
119.08572	26.5
121.02847	9.3
121.06495	10.1
121.10126	30.7
123.08079	23.2
125.05995	4.9
125.09625	6.5
126.92662	2.2
127.03915	7.1
129.06976	6.5
130.07765	3.2
131.04875	3.1
131.08556	10.0
133.10123	8.4
135.08055	7.3
135.11681	55.1
137.05980	5.8
137.09534	3.6
139.07555	3.0
143.08557	5.0
145.06447	4.4
145.10121	44.5
147.08054	7.1
147.11674	2.8
148.98463	2.5
149.09621	8.0
153.12723	55.7
155.08551	2.8
163.11174	79.1
165.09033	3.4
167.08504	2.8
167.09773	2.3
173.09587	16.7
181.12202	37.2
191.10634	18.5
199.91670	2.3
206.21907	2.5
209.11708	19.8
227.12755	41.9
239.18294	4.6
255.16106	2.3
283.02277	7.1
283.05640	4.2
283.09323	4.6
283.12250	3.9
283.15356	100.0
283.20615	7.3
285.01083	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1849
Annotation	(E)-2-(3,7-Dimethyl-2,6-octadienyl)-4(1H)-quinolinone
Peak:m/z	Relative Intensity
55.05497	1.1
55.73671	0.4
55.88572	0.4
57.07044	0.5
63.36361	0.4
67.05489	1.0
69.07060	0.9
70.70862	0.9
70.71230	0.8
79.05488	0.9
81.03410	0.8
81.07036	1.0
81.33914	0.4
83.08604	0.7
91.05455	1.3
93.05765	0.6
93.07037	0.5
93.22686	0.4
94.06552	0.7
95.04974	0.4
95.08583	0.8
100.81505	0.4
103.05497	0.4
103.35230	0.4
106.06539	2.7
107.07326	5.1
107.08502	0.4
108.04469	1.9
108.20920	0.4
117.05735	3.9
118.06537	6.2
119.08569	0.4
120.04427	0.5
120.08092	0.8
128.06175	0.6
129.06995	1.8
130.06517	5.9
131.07289	1.2
132.08084	0.7
134.05997	0.7
141.06990	0.7
142.06560	2.0
142.07529	0.5
143.07278	1.6
143.08421	0.6
144.08066	2.3
146.05977	0.9
152.06166	0.7
153.06976	1.0
154.06485	3.7
155.07338	1.9
155.08473	0.6
156.08092	3.9
157.06369	0.4
157.08890	1.9
157.10001	0.5
165.06984	1.5
167.07294	6.2
167.08548	0.9
168.08078	22.2
169.08858	3.7
170.06020	1.0
170.09622	7.6
178.07825	0.6
179.08554	1.2
180.08052	8.9
181.08830	7.5
181.10292	0.9
182.06055	1.7
182.09639	42.2
183.06746	2.9
183.10393	4.8
184.07634	2.0
184.11147	2.5
192.08029	0.5
193.08788	1.0
194.07877	0.5
194.09634	10.1
194.11331	0.7
195.10387	1.2
196.07556	9.1
196.11206	28.4
197.08345	5.8
197.11871	2.1
198.09125	12.7
198.12805	0.6
199.09663	0.4
201.07837	0.8
206.09668	1.0
207.10406	1.0
208.11200	3.1
210.09108	9.9
210.12694	4.8
211.09865	3.2
212.10678	2.9
215.56609	0.4
224.10686	6.0
224.14371	1.4
225.11435	2.3
226.15872	0.5
238.12297	1.1
238.15845	2.9
240.17474	1.4
252.17473	4.1
253.18161	2.3
254.19026	14.2
264.17480	0.8
267.17358	0.5
282.18512	100.0
283.15665	0.6
283.18964	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1743
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.44537	1.6
53.03935	8.3
54.78162	1.7
55.01863	6.1
55.05506	37.0
57.00050	1.7
57.03430	28.0
59.04989	2.4
62.71630	1.7
65.03923	5.6
67.05498	78.3
69.03416	5.5
69.07063	21.1
69.43896	18.3
71.04977	7.0
71.42969	1.6
73.06553	3.3
79.05482	100.0
81.03414	12.5
81.07047	76.0
83.04967	36.5
83.08599	11.9
85.06538	4.6
89.40434	1.8
91.04909	4.1
91.05470	68.1
91.41449	1.9
93.07034	76.5
95.04961	27.4
95.08595	41.7
97.06532	6.8
97.10155	5.6
99.08105	5.1
105.07015	57.2
107.04929	10.2
107.08585	22.6
109.06507	16.8
109.10154	8.3
111.08064	1.8
113.05943	2.0
117.06991	10.0
119.08567	41.9
121.06487	5.6
121.10137	6.5
123.08022	9.8
123.11658	3.0
127.07517	3.4
128.06201	2.7
129.06992	19.8
131.08549	5.1
133.06491	3.3
133.10138	16.2
135.08011	3.9
135.11662	4.4
137.09665	1.9
143.08568	8.6
145.10118	13.6
147.08002	4.3
147.11665	40.2
147.12839	2.0
151.07544	1.9
157.10072	2.1
161.09601	7.1
161.13197	20.3
163.11034	2.0
165.09178	3.0
171.11685	31.2
178.62061	1.8
179.14360	3.0
189.12727	15.0
207.13783	16.2
263.16418	4.3
281.04611	2.4
281.17419	46.6
282.18430	2.9
299.06180	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03944	9.4
55.01847	5.9
55.05505	35.1
55.19061	1.3
56.31486	1.4
57.03432	28.1
57.07069	3.2
59.04960	1.3
59.47060	1.5
65.03930	5.6
67.05500	89.7
69.03411	4.4
69.07066	18.4
70.99780	3.3
71.04973	2.7
71.08602	1.9
73.06548	1.6
77.03925	2.5
79.05486	100.0
80.54513	1.2
81.03414	17.7
81.07049	72.6
83.04969	34.3
83.08604	9.4
85.06525	3.3
91.05469	76.8
93.07037	72.3
95.04385	2.7
95.04959	33.6
95.08599	41.3
97.02851	1.5
97.06514	6.8
97.10154	5.6
103.05453	2.8
105.06326	2.7
105.07024	48.2
107.04974	9.4
107.08590	20.0
109.06487	6.1
109.10143	8.5
111.08060	1.9
115.05448	2.4
117.07003	12.7
119.08571	31.7
121.06499	3.5
121.10123	7.2
123.08080	9.2
127.07553	2.9
128.06235	2.6
129.07001	17.9
131.08521	4.0
133.06450	3.0
133.10115	18.3
135.11679	3.4
137.09598	2.2
143.08559	8.4
145.10103	13.0
147.08009	3.7
147.11674	39.4
156.09354	2.0
161.09599	4.0
161.13268	20.7
171.11673	33.6
179.14342	1.7
189.12730	11.3
207.13806	12.6
209.80827	1.3
248.32542	1.5
266.99396	1.5
281.11838	2.1
281.14496	3.2
281.17438	39.0
299.06290	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1743
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
52.97549	1.8
53.03933	7.8
55.01858	13.4
55.05502	16.9
57.03427	12.8
57.07048	3.3
67.05134	2.3
67.05495	49.2
69.03425	8.9
69.07055	100.0
69.62170	10.6
69.62579	2.9
70.96713	1.7
71.04972	3.6
73.06546	12.1
73.24965	1.6
79.05483	65.0
81.03406	24.0
81.07043	61.9
83.04961	12.0
83.08603	5.8
85.02884	3.6
85.06514	1.9
86.20821	1.5
90.30209	1.7
91.05460	35.0
91.25938	1.5
93.07026	55.5
95.04374	3.0
95.04946	32.1
95.08589	63.5
97.02831	2.0
97.06512	33.4
97.10141	3.9
99.04437	2.3
99.08072	4.6
105.07016	30.0
107.04916	6.8
107.08582	25.3
109.02893	1.8
109.06508	17.1
109.10170	11.6
111.08035	3.1
115.05404	1.5
115.07549	5.6
117.06989	8.5
119.08560	36.9
121.06475	7.0
121.10133	23.8
123.08047	81.6
123.11637	3.1
125.06003	9.3
125.09600	6.3
125.11692	1.7
128.06204	4.6
129.06967	8.5
131.08540	14.1
133.10100	16.6
135.08034	8.4
135.11618	3.2
137.09592	19.3
139.11162	2.5
141.09045	3.0
143.07002	45.8
143.08537	9.5
145.10080	7.9
147.08014	14.6
147.11642	12.1
149.09586	11.1
151.07471	2.2
151.11195	2.7
153.09097	11.2
153.69598	2.0
155.08499	2.3
157.10107	10.3
159.11639	12.0
161.08087	14.1
161.09573	9.9
161.13228	6.5
163.11121	3.6
165.09087	28.2
167.10664	2.8
169.10069	2.5
171.11678	9.6
173.13205	8.8
175.11169	3.7
175.14830	10.0
177.09090	2.7
181.08553	3.3
183.10112	7.4
183.11595	2.3
185.13150	3.2
187.11049	2.6
189.12698	5.8
189.16389	5.0
199.14793	21.2
203.14337	2.7
209.13177	2.2
217.15860	29.0
219.13803	2.1
221.15375	1.8
227.14255	5.1
228.07610	1.6
245.15353	27.0
263.16324	26.0
267.00165	1.8
281.11700	3.8
281.17416	22.7
299.06265	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1743
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03751	0.9
53.03941	9.6
55.01869	6.0
55.05505	36.8
56.22685	1.1
56.96548	1.8
57.03157	1.9
57.03429	31.7
57.07071	3.0
59.04989	1.2
65.03931	5.6
67.05496	90.5
69.03396	2.5
69.07060	20.3
71.04973	3.4
71.17026	2.2
72.08148	1.1
73.06544	2.1
79.05482	100.0
81.03405	16.3
81.07045	69.8
81.07490	1.4
83.04970	35.7
83.08607	12.7
85.02859	1.9
85.06528	4.7
87.04454	1.5
91.05466	68.8
92.05785	1.2
93.07031	78.8
95.04955	31.9
95.08591	44.1
97.02848	2.2
97.06523	4.6
97.10160	6.5
98.66573	1.0
98.97578	1.3
99.08070	2.6
103.05443	1.9
105.04509	2.4
105.07013	50.3
107.04928	8.6
107.08578	23.5
109.06511	9.3
109.10130	10.2
111.08035	3.7
113.06067	1.4
115.05463	1.8
117.07000	10.6
119.08562	33.4
121.06457	4.1
121.10142	6.1
123.08065	9.9
123.11665	1.6
123.90136	1.2
125.09640	2.0
127.07586	1.6
128.06201	4.2
129.06982	18.1
131.08545	4.0
133.06456	2.2
133.10110	16.7
135.08008	1.6
135.11685	3.2
141.09059	1.3
143.08545	9.5
145.10118	12.5
147.08051	2.8
147.11668	41.0
159.11699	1.5
161.09592	5.9
161.13245	14.9
171.08194	1.1
171.11664	32.0
182.11343	1.2
189.12733	11.6
200.12482	1.5
207.13734	14.0
253.12604	1.2
257.14142	1.3
263.16589	1.5
281.17438	40.2
281.22174	2.3
299.06097	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	brefeldin A
Peak:m/z	Relative Intensity
55.01862	1.5
55.05504	1.8
57.03152	1.3
57.03429	22.9
57.07062	1.4
64.51486	0.7
65.03925	0.9
67.05495	13.9
69.03426	1.1
69.07049	2.4
71.04978	3.0
71.26315	1.6
79.05491	3.3
81.03433	1.3
81.07047	4.0
83.04963	1.2
85.06530	23.8
91.05437	4.0
93.07043	4.1
94.24474	0.6
95.04957	27.7
95.08583	3.5
97.06534	1.3
97.10160	0.9
105.07014	2.5
107.04932	3.3
107.08588	2.8
109.06529	3.4
109.10166	1.2
113.05991	100.0
115.05447	0.9
117.07019	1.1
119.08580	1.0
120.56456	0.6
121.10088	1.7
123.04428	1.4
123.08024	1.0
125.05996	0.7
129.06992	1.7
131.08574	2.2
133.06381	0.8
133.10120	1.8
135.08069	3.5
143.08499	0.9
145.10088	1.8
147.08055	1.1
147.11674	0.9
149.09624	2.4
151.07495	0.9
152.58641	0.7
161.09616	1.5
163.11209	1.0
165.09073	1.3
169.10022	0.7
171.11665	2.7
173.09575	0.8
179.10773	0.7
189.12694	1.7
191.10657	2.1
199.14911	1.5
217.15836	1.1
225.08966	0.8
227.14252	2.0
245.15366	10.2
249.92960	0.7
263.16397	6.4
281.17477	1.1
299.06238	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60549	0.2
54.29070	0.2
55.01867	0.8
55.05487	0.2
57.03428	0.2
57.07068	0.2
65.03926	1.2
66.25390	0.2
67.01859	0.8
67.05479	0.6
68.99778	0.6
69.07050	0.4
70.18577	0.6
75.02335	0.4
79.01844	0.3
79.05461	0.5
81.03397	0.2
81.07045	0.8
83.01340	0.4
83.04965	0.2
83.08604	0.2
91.05455	0.6
93.03394	0.3
93.07009	0.4
95.04955	0.3
95.08597	0.4
97.10197	0.2
99.04430	0.2
103.01824	1.4
103.05450	0.2
105.03370	0.4
105.07030	0.5
107.04905	0.2
107.08576	0.3
109.06487	0.2
109.10091	0.2
111.04427	1.4
115.05438	0.6
119.08572	0.3
121.02844	0.6
121.10149	0.3
123.08075	0.2
123.11698	0.2
127.05432	0.5
129.03360	1.2
129.06976	0.6
130.84016	0.1
131.04945	0.2
133.02815	0.5
133.10110	0.3
135.07996	0.2
136.92242	0.2
138.92404	0.2
141.01828	0.4
141.06978	2.9
143.04948	0.4
143.08546	0.2
145.02858	0.2
152.06187	2.6
153.06979	1.2
155.04890	0.7
155.05975	0.2
157.02824	0.3
157.06451	0.3
161.02303	1.0
161.13235	0.2
163.05397	0.3
169.06467	3.4
171.04378	2.6
179.04825	0.4
181.06451	2.1
183.04301	0.3
185.02274	0.2
185.06052	0.2
197.05968	5.2
197.07817	0.3
199.03906	2.1
207.04419	0.4
211.03870	0.2
225.05443	4.5
227.03384	2.2
253.04948	4.8
263.03296	0.6
266.99704	0.2
281.04416	100.0
282.04733	2.0
283.03152	0.2
299.06189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2314
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03930	2.4
55.01848	2.9
55.05267	1.4
55.05504	21.7
57.03409	3.4
57.07074	8.2
59.05000	1.0
60.09498	0.9
65.03915	2.9
67.05496	89.7
69.03407	1.2
69.06684	1.5
69.07058	26.1
70.63218	3.6
71.04988	6.2
77.78858	1.1
79.05482	25.7
81.07043	100.0
82.61265	1.1
83.04950	3.3
83.08602	11.1
85.06086	1.0
85.06503	5.4
91.05462	14.2
91.30223	1.0
93.07031	31.5
95.04943	4.6
95.08594	84.8
97.06514	9.7
97.10157	6.5
99.08083	2.3
105.07018	10.3
107.08572	20.7
109.06477	3.0
109.10143	37.8
111.08052	4.5
111.11697	1.2
117.06988	3.1
119.08569	11.3
121.10127	19.1
123.08042	3.2
123.11687	16.7
125.09597	2.6
131.08546	9.1
133.10139	10.1
135.08022	3.7
135.11668	17.1
137.09573	2.6
137.13261	7.4
145.10124	7.3
147.11668	9.3
149.02325	32.1
149.09598	2.1
149.13217	7.6
151.11182	2.9
151.14767	2.6
153.12691	1.8
159.11664	4.3
161.13232	9.5
163.11134	1.8
163.14783	3.0
165.12727	2.5
165.38893	1.0
167.14357	1.4
172.46141	1.1
173.13211	5.5
175.14789	3.0
177.12697	1.4
177.16362	1.6
179.14281	3.4
181.12152	1.4
187.14784	3.1
189.16393	1.5
189.99031	1.1
195.13792	1.6
201.16394	2.6
209.15378	1.8
219.05692	1.5
223.17036	1.8
233.22522	1.5
236.51820	1.0
243.21028	11.2
261.22113	24.7
279.09531	1.5
279.23160	66.6
280.23239	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03939	0.7
55.05504	7.3
56.31613	0.5
57.07077	2.4
63.36356	0.4
65.03939	2.3
67.05499	99.8
68.05830	1.0
69.07063	7.6
70.81533	1.2
70.81867	0.6
71.04987	1.3
79.05492	9.3
81.07048	100.0
83.04978	0.9
83.08617	4.3
85.06538	1.1
89.08405	0.5
91.04974	0.5
91.05484	2.5
93.07037	9.0
93.07586	0.9
95.08600	72.9
96.08945	0.7
97.06531	1.0
97.10146	2.6
97.75399	0.5
105.07035	2.3
107.08565	5.5
109.06519	0.6
109.10147	41.0
111.11710	0.5
115.07562	0.6
117.07020	1.1
119.08613	2.4
121.10117	5.5
123.08085	1.3
123.11697	28.7
131.08528	2.3
133.10121	2.2
135.08031	0.7
135.11688	3.5
137.09602	1.3
137.13246	9.0
145.10135	1.8
147.11684	1.9
149.02324	8.1
149.09531	0.8
149.13245	1.3
151.11143	1.0
151.14792	2.4
159.11658	1.8
161.13269	1.5
163.11174	1.3
163.14819	1.1
165.12798	0.8
173.13287	3.1
177.12709	1.4
177.16486	0.7
179.14386	0.5
181.12254	0.7
187.14766	2.7
191.14268	1.3
195.13734	1.1
201.16414	0.7
205.15805	0.6
209.15355	2.2
223.16931	2.0
237.18488	1.0
243.21112	1.6
261.22174	3.3
269.49799	0.6
277.54245	0.7
279.23163	32.9
279.70053	0.6
280.23587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03943	1.3
55.05509	9.1
55.39585	0.9
57.07065	2.7
65.03928	2.3
67.05499	100.0
68.05824	1.0
69.07049	6.6
69.60726	8.4
79.05486	13.2
81.07047	96.8
82.07381	1.1
83.04971	1.0
83.08611	4.5
85.06549	1.2
91.05466	3.9
93.07032	12.3
95.08599	78.2
96.08917	1.0
97.10165	1.9
98.21465	1.7
105.06362	1.0
105.07039	3.0
107.08576	7.8
109.06519	1.1
109.10144	25.4
117.07036	1.1
119.08572	2.0
121.10150	6.3
123.11697	15.7
131.08577	5.2
133.10121	2.4
135.06990	0.9
135.08084	1.6
135.11661	3.9
135.79515	0.8
137.13239	10.4
145.10109	3.7
147.11705	2.8
149.02292	5.2
149.09604	1.6
149.13246	3.0
151.14812	3.1
159.11696	3.0
163.11171	2.2
163.14832	1.5
173.13292	4.7
177.12778	2.7
181.12238	1.4
187.14848	1.7
191.14249	1.4
195.13737	2.3
209.15356	2.9
223.16853	1.8
243.21075	1.8
245.88800	1.0
261.22003	2.1
263.08698	0.9
279.23151	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2314
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03940	2.4
55.01863	0.9
55.05500	11.6
56.96557	1.2
57.03418	1.2
57.07064	11.0
59.77813	0.9
65.03919	4.3
67.05493	100.0
69.03378	1.0
69.07063	11.1
71.04987	1.1
71.08624	1.0
71.75017	1.4
79.05482	15.5
81.07043	99.6
83.04967	1.2
83.08609	6.0
83.36634	0.9
85.06556	1.8
86.09686	1.4
91.05471	7.5
93.07025	16.3
95.04961	1.7
95.08591	84.2
96.08953	1.0
97.06544	2.5
97.10170	2.5
99.08154	1.2
101.93796	0.8
103.19415	0.9
105.07022	5.3
107.05015	1.0
107.08579	10.1
109.06500	1.7
109.10136	43.9
111.08086	1.2
115.07598	1.2
117.07010	1.5
119.08566	5.6
119.71071	0.8
121.02869	3.4
121.10136	11.1
123.08089	1.8
123.11689	24.8
127.07556	1.0
131.08556	4.7
133.10135	3.5
135.08067	2.1
135.11673	8.2
137.09608	2.1
137.13231	7.5
138.52931	1.1
141.07005	1.4
142.07819	1.5
143.08583	1.1
145.10089	4.3
147.11726	3.2
149.02313	68.1
149.09605	2.4
149.13281	2.8
150.02670	1.1
151.11247	1.0
151.14854	3.3
157.10110	1.7
158.03242	2.1
159.11682	4.1
161.13208	1.8
163.11218	2.2
163.14803	2.3
165.12776	1.6
165.16306	1.1
167.03358	1.7
168.43484	0.9
169.10089	1.9
169.53961	0.9
171.01472	1.3
171.11618	1.6
173.13277	2.5
175.14906	1.2
177.12755	1.5
179.08580	1.2
179.14326	0.9
181.10159	0.9
181.12318	2.3
184.07269	0.9
187.14812	2.9
191.14331	1.1
195.13818	2.0
201.16394	1.0
205.15907	3.0
209.13365	2.3
209.15410	2.8
219.05737	1.1
223.14850	2.0
223.16907	2.1
237.18437	1.5
237.83806	0.9
240.09810	0.8
243.21191	2.5
261.22119	4.9
279.09341	2.4
279.16495	1.7
279.20947	1.9
279.23260	30.5
279.27780	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03941	1.4
55.05505	9.3
57.00069	0.5
57.03415	0.9
57.07069	5.4
57.57764	0.5
64.46153	0.4
65.03930	3.4
67.05495	100.0
68.05830	0.9
69.07057	9.9
71.04977	1.1
71.08336	0.8
71.08635	0.5
79.05481	13.8
81.07044	99.1
82.07397	0.8
83.04972	1.1
83.08614	5.4
85.06530	1.6
85.92180	0.5
91.05458	5.0
93.07030	12.4
95.04976	0.9
95.08594	77.7
96.08942	1.1
97.06508	1.6
97.10155	3.3
98.21101	0.7
98.82285	0.5
99.08086	1.0
105.07014	3.7
107.07898	0.9
107.08574	10.2
109.06492	1.2
109.10142	46.4
110.10476	0.6
111.08051	0.8
111.11685	1.1
117.07003	1.7
119.08567	4.3
121.02872	1.4
121.06447	1.0
121.10125	8.2
122.57117	0.5
123.08064	1.6
123.11690	23.7
127.07509	0.9
131.08539	4.2
133.10103	4.3
135.08041	1.2
135.11661	5.6
137.09587	1.1
137.13235	9.1
145.10100	3.4
147.11671	3.0
149.02321	26.4
149.09616	1.8
149.13210	2.6
150.02693	1.2
151.11125	1.1
151.14806	3.4
153.09081	0.7
159.11699	3.4
161.13225	2.1
163.11139	1.9
163.14752	2.3
165.12737	1.3
165.16406	0.9
167.03433	0.6
167.10701	1.1
173.13226	3.2
175.14780	0.8
177.12755	1.6
177.16408	0.8
179.14243	0.5
181.12213	1.7
187.14824	3.3
191.14238	1.4
195.13780	2.2
201.16354	1.2
205.15889	0.9
209.15327	2.8
219.05595	0.8
219.20981	0.8
223.16840	3.1
237.18376	0.9
243.21057	3.2
261.18243	0.6
261.19370	0.5
261.22079	4.4
279.19730	2.6
279.23148	33.8
280.23471	0.9
285.80133	0.5
293.01813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1951
Annotation	6-Paradol
Peak:m/z	Relative Intensity
53.03934	4.1
55.01859	6.2
55.05502	6.7
57.03429	4.2
57.06793	0.9
57.07064	11.8
61.43287	0.8
64.01843	0.8
65.03916	2.8
67.05495	17.6
68.99770	1.5
69.03408	2.7
69.07055	8.0
71.04967	2.7
71.08109	1.1
71.08538	1.3
73.02907	3.6
79.05481	16.1
81.03406	6.6
81.07037	14.0
83.04952	2.9
83.08590	2.5
85.02866	2.2
91.05466	10.6
93.03355	1.7
93.07028	12.8
95.04948	5.5
95.08588	10.0
97.02866	5.5
97.06478	2.0
97.10142	1.3
98.97543	0.9
105.07014	8.1
107.04920	6.4
107.08586	6.0
109.02869	8.0
109.06485	2.5
109.10124	3.3
111.04425	6.7
115.05396	2.2
117.06982	5.8
119.04894	1.5
119.08553	4.2
121.02850	3.6
121.06483	5.0
121.10154	3.8
123.04408	3.2
123.08049	1.5
123.11662	1.7
129.06938	1.6
131.08562	3.9
133.06459	2.2
133.10103	2.2
135.08054	5.3
135.11690	1.9
137.05968	5.7
137.09639	0.9
141.05347	1.3
143.08517	1.3
145.06458	3.1
145.10086	3.2
147.08052	2.0
149.02313	64.6
149.09610	2.5
149.13225	0.7
150.02646	0.9
151.07430	1.0
159.08034	2.7
159.11690	1.1
161.05908	1.6
163.07521	17.9
167.03357	2.0
167.06996	1.2
169.10059	1.0
173.09549	1.0
175.07545	1.0
176.08307	1.2
177.00693	1.0
177.09048	2.1
181.08510	2.7
182.36307	0.7
187.14766	0.8
201.16351	0.8
205.15768	0.7
219.05702	2.5
231.11568	0.8
233.18974	2.0
247.16808	1.3
250.17146	0.7
261.18481	20.2
279.09439	3.4
279.19495	100.0
280.19836	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	Crepenynate
Peak:m/z	Relative Intensity
53.03936	1.3
55.01860	3.8
55.05505	11.3
57.03411	1.2
57.07070	19.7
58.13561	1.0
65.03926	3.6
66.04682	1.1
67.05495	73.4
69.03423	2.7
69.07063	13.4
70.42852	1.7
70.43235	1.9
71.04974	2.7
71.08624	17.9
79.05486	17.5
81.03397	1.8
81.07044	83.3
83.04969	5.8
83.08614	8.3
85.06513	2.6
85.10177	19.0
91.05470	13.8
93.07031	15.6
95.04951	2.7
95.08594	59.5
97.06520	4.4
97.10154	3.1
98.97572	1.4
99.08083	15.8
105.07020	11.8
107.04934	1.7
107.08584	12.1
107.64834	1.1
109.06508	2.7
109.10139	22.0
111.08054	3.4
111.11677	1.4
113.09633	19.7
113.10375	2.0
117.07004	3.5
119.08552	7.7
121.02846	4.1
121.03940	1.4
121.10129	11.2
123.08091	1.4
123.11691	12.2
129.07033	1.3
131.08543	7.7
133.10126	12.7
135.08047	2.5
135.11665	6.7
137.09555	1.5
137.13255	8.7
141.46765	1.0
143.07068	1.3
143.08458	1.6
145.10150	5.3
147.11662	12.2
149.02322	100.0
149.09605	3.9
149.13243	5.8
150.02644	2.7
151.11183	2.6
151.14810	4.3
153.12814	1.6
156.41626	1.1
159.11711	4.8
161.13123	1.3
163.11174	2.9
163.14790	2.2
165.12775	6.2
167.03389	3.0
167.14322	2.4
173.13255	6.0
177.12804	1.0
179.14394	1.1
181.15805	1.4
187.14824	1.6
191.14369	2.0
195.13768	2.4
209.13354	1.4
209.15305	3.7
219.05710	1.4
223.09689	1.1
223.16971	2.4
243.21091	3.0
247.16901	1.6
261.22168	7.6
279.09305	2.6
279.20325	2.1
279.23184	52.8
280.26343	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.0
54.80246	1.2
55.01869	7.8
55.05520	7.3
57.03433	30.9
57.07069	22.1
65.03938	2.1
67.05505	19.0
68.34805	1.4
69.07061	16.4
69.44756	14.1
71.01349	1.3
71.04983	2.7
71.08627	2.7
73.38477	1.5
79.05484	11.7
81.03404	5.0
81.07043	19.6
81.07478	1.8
83.04970	9.5
83.08605	5.8
85.06521	1.2
91.05487	6.7
93.07038	10.3
93.11436	1.2
95.04961	7.5
95.08597	11.9
97.02892	5.3
97.06527	6.0
99.04446	48.2
105.07024	7.3
107.04957	15.0
107.08599	7.9
109.02869	17.8
109.06506	7.3
109.10165	4.9
111.04435	7.0
111.08081	1.5
117.07018	2.2
119.08566	8.9
121.02833	5.9
121.06501	3.8
121.10147	6.1
122.50197	1.1
123.04424	2.2
123.08044	3.5
123.11731	3.6
125.05981	17.8
131.08578	4.3
133.06551	3.1
133.10132	3.5
135.08054	5.9
135.11688	3.7
137.09589	2.8
143.08505	1.5
143.10123	1.2
145.10176	3.5
147.08041	1.8
147.11685	2.9
149.02332	100.0
149.09631	1.5
149.13277	3.4
150.02686	1.6
151.07492	2.1
153.05453	2.5
159.11684	1.5
161.13242	5.5
163.07574	2.5
163.14865	3.2
165.12727	1.7
167.03391	3.7
179.14333	3.0
181.08633	2.8
181.15857	13.1
189.12769	2.7
205.15884	12.6
207.13872	7.0
219.05763	1.8
222.72398	1.3
223.16893	17.1
233.19014	3.9
253.29308	1.2
261.18430	7.7
279.09293	2.6
279.19537	29.2
279.22745	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26275	0.7
56.05028	0.9
56.96544	0.8
57.07070	9.0
61.45522	0.8
62.26441	0.8
65.03934	2.2
67.05496	7.1
69.07063	0.8
70.06581	42.8
71.73470	1.0
79.05479	0.9
81.07056	6.9
84.08126	1.1
89.21201	0.7
91.05467	28.7
93.03377	1.3
95.08581	5.9
97.02826	0.7
98.97575	4.9
105.07002	0.8
109.10147	3.4
110.97556	0.9
114.05493	4.1
116.07079	85.6
116.98591	2.8
118.06497	1.0
119.04928	19.4
121.02854	4.5
121.06506	2.1
121.10130	0.8
123.11700	1.8
128.98570	1.0
132.37381	0.7
134.99641	2.3
136.07559	100.0
137.05917	1.2
137.07907	1.1
147.04393	2.7
149.02324	74.8
158.99622	1.3
164.70145	0.9
167.03404	2.2
170.36098	0.8
177.00671	3.5
178.52251	0.7
179.02080	0.8
182.61983	0.8
189.00685	1.0
202.81680	1.0
255.03903	0.9
262.10706	2.4
263.55872	0.8
279.09625	0.7
279.10199	1.0
279.13385	10.7
279.23291	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
52.74596	1.2
53.03927	4.2
55.01858	1.4
55.05503	19.0
57.07048	3.4
65.03914	2.0
67.05499	28.6
69.07059	17.5
71.04988	1.1
71.19790	1.4
71.20091	1.9
76.18750	1.3
76.52433	1.3
79.05485	78.3
81.07044	38.3
83.08623	7.3
91.05466	28.1
93.07030	100.0
95.04949	8.8
95.08594	25.4
96.68027	1.2
97.06536	2.0
97.10155	3.8
99.07983	1.2
99.76284	1.3
105.04550	1.4
105.07018	15.0
107.08578	52.0
109.06512	1.8
109.10136	9.3
111.08046	1.5
117.07001	3.7
119.08569	9.2
121.09238	2.6
121.10124	48.1
123.08063	1.5
123.11626	1.8
126.45907	1.1
129.07005	1.8
131.08563	4.3
133.09212	1.6
133.10098	9.1
135.11676	49.1
143.08485	2.5
144.32689	1.3
145.10098	5.2
147.11679	7.0
149.13232	22.6
157.10127	2.7
159.11665	5.3
161.13246	3.7
163.11209	1.8
163.14815	4.2
165.56871	1.3
171.11746	1.7
175.14818	2.0
185.13255	2.7
194.43571	1.3
195.13785	1.7
199.14774	1.5
207.13803	3.1
213.16312	2.3
221.15385	3.0
235.16919	3.6
241.19402	2.5
259.20508	4.6
277.21603	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03925	4.3
55.01854	1.9
55.05505	20.5
57.07066	7.3
60.91494	0.9
65.03935	1.3
67.05497	38.5
69.07063	16.0
71.00908	2.1
71.01312	1.7
71.04986	2.4
71.08622	21.6
77.03891	1.1
78.04742	1.2
79.05484	58.4
81.03394	4.3
81.07047	52.8
83.04975	4.8
83.08604	9.3
85.06514	4.2
91.04906	2.2
91.05464	30.3
93.07032	100.0
94.07349	1.0
95.04953	11.5
95.07990	1.8
95.08592	31.9
97.06516	4.4
97.10139	2.7
99.08082	17.1
105.07012	20.8
107.04926	3.8
107.08581	54.8
109.06497	4.0
109.10147	11.6
111.08083	2.6
117.07007	3.2
117.66519	0.9
119.08562	15.3
121.06476	2.6
121.10128	47.2
122.30806	1.0
123.08063	2.2
123.11644	2.0
125.09631	1.7
129.06975	1.8
131.08553	4.7
133.10118	11.6
135.08101	1.4
135.11679	54.3
137.09584	3.4
139.11240	0.9
141.09096	1.5
143.08536	2.7
145.10066	5.5
147.11668	6.0
148.33617	0.9
149.09663	1.0
149.13229	18.2
151.11169	9.6
157.10112	1.1
159.11679	3.0
161.09599	1.3
161.13235	7.8
163.11140	5.5
163.14772	4.5
167.10678	3.1
171.11642	2.8
173.13243	1.1
175.14807	3.6
177.12680	2.9
179.10661	2.9
179.14282	27.1
181.12173	1.2
185.13203	1.6
189.12717	2.2
190.76976	0.8
195.13771	3.6
199.14844	1.8
203.14284	2.1
207.13835	2.2
213.16235	1.4
221.15353	4.1
231.17520	1.6
235.16885	11.7
241.19446	2.2
259.20575	5.6
277.18149	6.6
277.21597	95.3
278.21808	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03929	3.8
55.01864	1.5
55.05504	17.4
55.44156	1.1
57.07059	1.5
63.51741	1.3
65.03906	1.4
67.05497	30.7
69.07063	16.2
69.46526	1.2
70.07896	7.1
71.04960	1.6
74.95027	1.5
75.12009	1.1
76.90004	1.3
77.03896	1.4
79.05486	79.5
81.06601	2.1
81.07048	36.9
83.08611	6.1
85.06532	2.7
91.05473	26.9
93.07036	100.0
95.04947	8.3
95.08600	25.5
97.06538	1.6
97.10152	4.1
98.20963	3.5
99.45774	1.3
105.07013	14.8
107.08584	55.0
109.06483	2.7
109.10143	13.5
117.06972	3.4
119.08577	11.6
121.10135	44.8
122.67964	1.2
123.08024	1.6
123.11684	3.4
125.09591	2.0
125.26313	1.3
129.06923	1.6
131.08531	3.5
133.10101	11.9
135.11678	48.4
143.08475	1.7
145.10107	4.3
147.11665	8.4
149.13243	20.9
151.11078	1.3
159.11696	3.0
161.13179	4.3
163.11188	1.9
163.14803	5.6
171.11652	3.0
173.13203	1.9
175.11237	1.8
175.14824	3.9
195.13771	2.8
199.14772	2.0
201.04895	1.5
203.14450	1.7
203.16545	1.5
207.13745	2.7
221.15338	4.1
235.16884	3.1
237.52887	1.6
241.19519	3.0
259.20529	3.1
277.21597	62.9
278.21729	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
50.40811	1.0
53.03931	4.4
55.01867	5.4
55.05265	1.8
55.05506	20.5
57.03426	1.7
57.07071	8.3
65.03914	2.1
67.05499	39.5
69.03395	1.7
69.07059	21.6
69.63782	8.1
71.04967	3.8
71.08604	2.6
77.03911	1.0
79.05485	67.3
81.03390	1.5
81.07047	44.7
82.37316	1.2
83.04962	4.2
83.08607	10.1
85.02893	2.5
85.06526	2.7
87.12313	1.1
91.04915	1.6
91.05470	30.8
93.07034	100.0
94.07362	1.2
95.04957	13.8
95.08591	31.6
97.06522	5.6
97.10136	4.4
99.08065	2.9
102.33012	1.2
105.04521	1.4
105.07011	21.1
107.04955	2.8
107.08587	47.3
107.09326	2.2
109.06504	6.7
109.10142	14.8
111.08064	3.9
111.11651	1.3
115.70625	1.1
117.06973	6.5
118.06541	1.1
119.08562	14.7
121.06459	2.2
121.10131	38.4
123.08070	2.7
123.11684	3.6
125.09563	1.9
129.06992	2.5
131.08522	6.0
133.10121	12.9
135.08037	2.1
135.11679	42.8
137.09558	2.6
139.11171	1.7
141.12631	1.1
143.08557	3.4
144.09341	1.1
145.10095	6.2
147.08020	1.9
147.11684	7.2
149.09608	3.7
149.13237	19.3
151.11156	3.4
157.10095	3.9
159.11696	6.0
161.09575	2.0
161.13252	7.7
163.03860	1.3
163.11171	3.5
163.14798	7.6
165.12752	2.8
167.10669	1.9
171.11638	4.2
173.13251	3.3
175.11156	2.6
175.14827	4.0
177.12671	2.9
177.16373	1.5
179.10619	2.0
185.13248	3.5
189.12715	2.7
189.16328	1.8
193.12143	1.6
199.14824	1.6
203.14304	2.1
207.13780	2.5
213.16362	2.2
217.15918	2.0
217.19539	2.3
219.11548	1.3
221.13258	1.5
221.15332	3.7
231.17546	1.6
231.21028	1.9
235.16928	9.3
241.19398	3.2
259.20511	7.6
261.22165	1.3
277.18118	9.0
277.21616	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03932	3.2
54.50360	0.6
55.01870	4.5
55.05506	15.4
57.03420	2.2
57.07074	4.0
58.06589	0.6
64.01395	0.7
65.03916	2.0
66.34307	0.6
67.05499	42.7
69.07063	12.9
71.04982	3.0
71.08616	3.8
71.26929	0.8
71.27271	1.3
77.03894	0.7
79.05486	40.6
81.03422	5.2
81.07045	36.7
83.04971	4.8
83.08612	7.5
85.06532	2.8
91.05469	20.4
93.07034	54.7
95.04957	10.0
95.08600	23.2
97.06538	4.2
97.07063	0.7
97.10139	3.5
99.08060	3.0
105.04495	1.0
105.07022	17.0
107.04943	3.5
107.08580	31.5
108.05685	0.8
109.06522	4.2
109.10156	13.2
111.04467	0.9
111.08069	2.3
111.11687	0.9
115.05354	0.8
117.06998	4.2
119.08563	13.9
121.06487	2.1
121.10133	18.9
123.08056	3.8
123.11691	3.7
125.09570	2.0
126.85105	0.6
128.06210	0.8
129.07014	3.3
131.08556	6.0
133.06471	0.7
133.10110	10.4
135.08026	2.6
135.11678	21.7
137.09590	2.7
137.13188	1.5
139.11110	1.7
143.08530	3.3
145.10139	5.4
147.07982	1.6
147.11671	9.0
149.02313	1.4
149.09616	1.9
149.13239	15.9
151.03897	0.8
151.11143	5.1
153.09064	0.8
153.12781	0.7
157.10106	2.8
159.11682	3.1
161.09621	1.6
161.13242	6.4
163.11148	2.8
163.14836	5.2
165.09093	0.8
165.12756	1.9
167.10672	1.3
171.10382	0.7
171.11658	4.3
173.13210	2.0
175.07516	1.3
175.11154	2.2
175.14833	4.0
177.12769	1.2
177.16449	1.4
179.10670	1.2
179.14288	1.1
181.12187	1.5
185.13255	3.1
189.12683	2.0
193.08560	2.5
195.13737	1.1
199.14798	2.7
203.14313	0.8
207.13782	2.5
213.16376	0.8
217.12173	2.0
217.19479	1.7
221.15376	2.6
231.17432	0.7
231.21176	1.9
235.13235	4.7
235.16951	3.0
241.19470	4.2
249.22125	1.8
259.20544	11.3
277.18265	3.6
277.21600	100.0
278.21884	1.8
278.24789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03926	3.6
55.01864	18.1
55.05501	23.8
57.03415	2.1
57.07064	6.6
62.84362	0.8
65.03910	2.6
67.05494	48.9
69.03407	1.5
69.07058	18.9
70.33582	0.8
71.04996	4.4
71.08617	16.9
71.20159	1.8
71.20495	1.0
73.06545	0.9
77.19323	0.8
79.05482	51.9
81.03400	5.8
81.07043	48.7
81.07530	2.0
83.04970	6.6
83.08612	11.6
85.06507	3.7
85.10144	2.5
85.77178	0.8
91.05468	33.6
93.07028	73.2
95.04956	14.4
95.08588	31.3
95.60049	0.8
97.06519	12.7
97.10141	4.7
99.08073	12.0
105.04483	1.1
105.07012	24.3
107.04946	5.4
107.08574	38.9
109.06493	7.2
109.10133	17.0
111.08068	15.1
113.09599	3.4
117.06996	7.1
119.08564	18.1
121.06459	2.5
121.10136	22.4
123.08067	6.2
123.11691	4.8
125.09612	2.8
128.06169	1.4
129.07021	5.0
131.08537	6.2
133.10117	15.3
135.08041	3.0
135.11674	22.4
137.09589	3.4
137.13263	2.1
139.11189	1.0
141.09019	0.8
141.12706	2.9
141.45813	0.8
143.08556	4.3
145.10094	8.8
147.08014	1.5
147.11670	15.2
149.02351	1.5
149.09587	3.5
149.13246	14.9
151.11154	9.5
153.12730	2.4
157.10101	4.1
159.11668	4.1
161.09589	3.0
161.13231	13.1
163.03874	1.3
163.11162	12.2
163.14804	7.1
165.12735	7.6
169.12189	2.8
171.11662	5.8
173.13231	1.8
175.11156	3.6
175.14748	4.9
177.12749	2.4
179.10684	1.8
179.14270	5.6
181.12225	2.0
185.13203	4.1
189.12741	2.7
193.12218	1.8
193.15744	1.2
195.99939	1.1
199.14815	1.7
207.13750	2.8
208.02180	0.8
213.16382	1.6
215.07024	1.0
215.18129	1.1
217.19522	2.4
221.15280	3.8
231.21111	3.4
235.16849	4.3
241.19456	6.1
249.22105	3.9
259.09503	1.3
259.20538	13.8
272.55795	0.8
277.21585	100.0
278.21912	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
50.83664	0.9
52.44295	1.1
53.03930	4.5
55.01857	1.3
55.05263	1.4
55.05504	16.6
57.03435	1.3
57.07055	3.3
65.03918	1.4
67.05499	35.3
68.55630	0.9
69.07061	14.4
69.55435	10.0
71.04980	1.8
79.05482	74.2
81.07047	39.6
83.08606	7.8
85.06525	1.4
91.05475	25.5
93.07033	100.0
95.04948	8.7
95.08595	23.8
97.10147	4.4
105.04472	2.0
105.07012	15.0
107.08580	52.1
109.06493	1.7
109.10136	13.8
117.06994	2.6
119.08560	9.0
121.10130	44.6
123.11673	2.8
129.07001	1.4
131.08543	4.1
133.10104	10.9
135.08075	1.1
135.11671	56.7
137.09608	1.7
143.08545	1.5
145.10106	3.8
147.11714	6.1
149.09576	1.3
149.13234	26.9
159.11690	3.1
161.13216	4.7
163.14780	6.4
171.11638	3.2
173.13272	2.8
175.11159	1.6
175.14830	1.7
177.12779	1.6
185.13211	1.4
189.12833	1.3
193.12233	1.7
195.13797	2.4
199.14761	1.4
207.13713	2.4
213.16333	1.3
221.15343	3.6
231.17416	1.8
235.16853	3.6
237.42433	0.9
241.19427	1.2
259.20560	2.6
277.21579	68.0
278.21890	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
68.31528	14.9
69.74293	100.0
89.51411	18.1
98.20689	29.3
161.02971	26.5
163.81882	15.6
277.03143	37.3
277.07614	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03923	2.4
53.83142	0.9
55.01854	1.0
55.05505	9.1
56.96555	1.1
57.07064	1.9
58.18705	1.0
64.62064	0.9
65.03928	1.8
67.05497	51.2
69.07058	10.2
70.03738	0.9
70.12553	4.9
71.04958	1.5
77.03903	1.2
79.05486	49.7
81.07049	33.9
83.04966	2.7
83.08610	6.2
85.06515	0.9
89.72272	1.2
91.05478	15.9
93.07036	63.0
95.04954	5.9
95.08596	23.4
97.06022	1.1
97.06534	12.2
97.10144	2.1
105.07012	10.1
107.07903	1.7
107.08586	26.5
109.06485	2.3
109.10127	7.3
111.08102	2.1
113.94478	0.9
117.06998	2.5
119.08549	6.5
121.06493	1.2
121.10135	97.0
123.08044	2.0
123.11683	2.2
125.06013	0.9
129.06969	1.3
131.08545	3.3
133.06401	1.5
133.10106	7.1
135.04436	1.9
135.11681	59.0
136.12083	0.9
137.09543	1.7
143.08479	1.4
145.02831	1.2
145.10112	2.8
147.11676	4.1
149.02303	3.3
149.09586	2.0
149.13246	10.2
150.88548	1.0
151.11118	1.1
157.10168	1.6
159.11678	4.0
161.06003	1.2
161.09610	1.4
161.13213	2.9
163.03929	8.2
163.11147	3.1
163.14825	1.3
165.12761	1.2
169.71091	0.9
173.02368	2.1
173.13243	1.9
175.14754	1.1
177.12758	2.9
179.10561	1.8
181.12177	2.6
185.13222	1.5
189.09200	1.3
191.03465	1.7
195.13779	3.8
199.14856	1.2
215.07039	3.5
217.04996	1.5
221.15402	1.1
233.08072	1.1
235.16859	6.1
241.19679	1.4
259.09647	7.1
259.20572	7.2
277.18170	6.0
277.21600	100.0
278.21799	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.273
Annotation	Kaurane
Peak:m/z	Relative Intensity
55.05501	12.8
57.07065	8.2
58.25063	0.9
58.41827	0.9
65.03924	1.4
67.05135	1.6
67.05495	30.6
69.06681	1.5
69.07059	30.1
69.68607	6.6
71.04939	0.9
71.08617	3.6
77.52131	0.8
79.05479	13.3
81.07044	100.0
83.04975	0.9
83.08604	14.2
85.10156	2.2
88.07599	1.1
89.07883	0.8
91.05452	6.9
93.07028	17.3
95.04911	0.8
95.08592	85.2
97.10152	8.8
105.07015	5.7
107.04967	0.8
107.08581	19.3
109.06489	1.5
109.10141	51.2
111.08039	0.8
111.11703	7.1
116.53340	0.7
117.06974	1.5
119.08558	4.1
121.10123	13.7
123.11692	26.3
125.09560	0.9
125.13276	1.0
131.08556	2.5
133.10095	3.8
135.07990	1.1
135.11679	11.0
137.13219	11.2
145.10117	1.9
147.11658	2.0
149.13234	9.1
151.14790	5.8
157.10104	1.6
159.11658	1.4
161.13232	2.1
161.39806	0.8
163.14781	4.7
165.16357	2.2
171.11649	1.0
173.13246	1.5
175.14902	1.4
177.16350	1.9
179.17967	1.1
191.14281	1.9
191.17981	1.6
205.19556	1.4
219.21075	1.3
257.18872	1.2
275.05023	0.9
275.17581	1.0
275.20200	9.8
275.27313	42.3
276.27615	1.2
278.24295	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03936	1.8
55.01854	3.2
55.05510	13.9
57.03428	2.2
67.05503	20.6
69.03428	1.8
69.07065	9.6
71.04970	1.9
71.19314	2.1
77.03930	1.0
79.05490	24.7
81.06600	1.5
81.07053	24.5
81.34253	0.9
83.04951	2.1
83.08608	5.7
91.05472	37.7
93.07037	21.3
95.04968	6.2
95.08601	16.4
97.06503	3.8
97.10151	1.4
103.05457	2.2
105.07024	54.0
107.04951	5.4
107.08593	16.5
107.71300	0.8
109.06543	4.5
109.10128	6.3
111.08093	1.3
117.07020	12.1
119.08569	33.2
121.06481	3.8
121.10136	7.8
123.08038	3.2
123.11691	1.5
125.09632	1.7
129.07005	2.9
131.08562	14.0
133.06421	1.3
133.10118	31.2
135.08022	4.2
135.11688	2.9
137.09583	4.1
141.06985	1.9
143.08524	2.5
145.06572	1.0
145.10115	12.6
147.08112	1.2
147.11679	19.7
149.09595	7.1
149.13217	1.8
151.11145	2.3
155.08514	1.9
157.10143	2.3
159.11697	7.7
161.09563	1.4
161.13203	6.1
163.11148	5.7
165.09096	1.3
165.12737	2.9
169.10120	2.6
171.11632	3.3
173.09706	1.3
173.13303	5.1
175.11133	1.6
175.14864	1.2
177.12741	2.3
183.11688	1.5
187.14856	2.0
191.14308	1.3
193.12160	1.1
197.13243	1.8
201.12639	1.0
215.17863	2.3
222.38382	0.9
229.19482	5.7
233.19077	0.9
239.17987	5.3
247.20525	3.2
257.18967	12.2
275.20044	100.0
276.20471	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03938	3.2
55.01870	10.9
55.05506	15.3
56.42205	1.2
57.03415	5.3
57.07045	1.6
59.05037	1.2
65.03928	2.0
67.05499	26.9
69.03389	1.7
69.07063	16.3
71.04977	2.1
71.22176	2.5
72.87440	1.1
74.96209	1.3
79.05488	26.5
81.03407	2.4
81.07047	42.8
83.04967	2.9
83.08603	5.7
85.06553	1.7
91.05476	50.8
93.07035	22.5
95.04939	4.3
95.08604	20.9
97.06524	13.2
97.10135	3.1
105.07023	75.7
107.04918	6.4
107.08581	16.1
109.06498	5.5
109.10152	9.3
111.08065	2.0
115.05441	2.0
117.07030	11.3
119.08573	44.7
121.06499	3.9
121.10126	8.7
123.08019	3.0
125.09595	2.8
129.06920	2.0
131.08562	20.6
131.40570	1.5
133.10118	46.6
135.08015	3.5
135.11679	4.9
137.09560	1.6
141.06981	1.9
143.08601	4.1
145.10097	16.9
147.11676	22.2
149.09576	7.2
149.13246	2.7
151.11288	1.3
154.29175	1.3
157.10126	3.7
159.11685	9.4
161.13220	4.9
163.11150	4.4
169.10135	3.0
171.11708	2.3
173.09630	2.0
173.13165	6.7
183.11670	3.6
185.13185	4.1
191.14282	2.5
197.13255	2.8
201.16423	2.8
203.14308	3.3
219.17387	18.8
229.19533	1.6
239.18011	3.2
247.16917	1.7
247.20602	3.6
257.19025	11.2
275.20053	100.0
275.27710	5.7
276.20471	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
55.01861	1.2
55.05489	4.1
59.04969	1.4
67.05479	3.7
69.07065	8.9
69.96696	0.8
70.45145	1.7
70.45493	2.7
71.04976	2.4
79.05483	2.7
81.07035	3.4
83.04971	1.3
83.08601	2.4
85.06528	2.2
91.05484	4.9
93.07030	8.9
95.04940	1.8
95.08598	8.6
97.06490	1.8
98.21399	1.1
105.07034	5.5
107.08586	8.2
109.06478	2.8
109.10130	4.7
111.08067	22.1
113.09626	3.1
115.05360	1.3
117.07008	1.8
119.08602	6.7
121.06489	4.2
121.10137	6.0
122.07253	4.0
123.08054	16.1
123.11668	3.4
128.72351	0.9
129.06937	1.1
131.08553	8.7
133.10110	4.4
135.08049	21.0
135.11649	3.2
137.09651	1.6
139.11121	1.4
142.04640	1.0
143.08521	2.6
144.09270	1.4
145.10109	5.7
147.11685	5.8
148.08760	1.2
149.09625	2.2
149.13341	1.0
156.09344	2.6
157.10097	3.8
159.11667	8.1
161.09592	2.4
161.13251	1.0
163.11150	2.9
165.12735	2.9
171.11674	14.3
173.13249	3.9
175.11162	1.2
175.14787	1.6
176.11975	6.6
180.53036	1.0
181.12230	12.4
183.11617	1.2
189.12695	2.0
189.16592	0.9
191.14296	100.0
192.14619	2.2
197.13187	1.2
199.14781	4.9
201.12776	0.8
205.43121	0.9
213.16283	1.4
215.17967	3.5
217.15805	4.0
231.17444	0.9
239.18016	1.4
257.18954	6.1
259.86688	1.0
275.20038	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2001
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.77728	2.6
55.05489	7.8
55.67451	2.4
57.07053	9.3
58.07396	2.4
65.79453	2.0
67.05473	8.2
69.07042	7.9
70.06566	8.5
70.99132	2.6
70.99454	5.6
71.04983	15.1
71.06924	3.3
79.05474	7.5
81.07029	12.8
83.04952	7.1
83.08594	2.9
85.06519	9.9
88.07604	8.7
91.05483	14.7
93.07034	19.1
95.04928	6.7
95.08588	25.5
97.06503	3.1
101.32328	2.4
102.09116	4.1
105.07008	23.8
106.08620	3.5
107.08553	25.0
109.06516	11.5
109.10143	11.5
111.08045	10.5
115.05427	2.9
117.06992	9.1
119.08549	32.8
121.06445	2.4
121.10136	29.4
123.11710	2.7
128.06244	3.6
129.06947	4.1
131.08536	29.9
133.10107	28.4
133.92966	2.4
135.08037	24.8
135.11684	6.2
137.09610	14.3
142.07742	9.5
143.08551	13.0
144.09323	5.1
145.10095	28.8
147.11665	8.3
149.09666	4.0
151.11200	3.0
152.52795	2.3
155.08516	3.5
157.10107	29.4
158.10901	8.3
159.11678	40.8
161.09659	4.6
168.09343	2.4
170.10817	2.6
171.11652	12.8
173.13239	66.5
174.13971	5.2
175.11168	11.1
175.14816	5.3
175.88124	2.4
177.12715	10.0
183.11630	11.7
184.12560	2.8
185.13104	2.7
187.11169	4.3
187.14836	8.8
189.12711	3.1
191.14264	6.8
196.15320	2.2
197.13242	6.6
199.14781	22.0
201.12747	10.1
211.14734	3.1
213.16351	6.6
214.17374	3.4
215.17972	8.2
217.16000	5.8
219.13646	2.5
225.66875	2.6
239.17899	10.4
257.18979	26.6
257.26755	5.1
275.20004	47.7
275.23077	3.7
275.27722	100.0
276.20361	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.26394	1.7
53.03930	2.6
55.01866	2.3
55.05506	15.2
56.84767	1.6
57.03401	4.3
57.07063	2.6
62.31875	1.5
67.05497	19.0
69.03397	2.0
69.07056	12.3
70.78374	3.7
70.78783	2.9
71.04979	7.5
77.33102	1.6
77.37004	1.8
79.05490	22.6
81.07047	25.7
83.04954	4.7
83.08604	4.1
85.06520	6.1
91.05466	36.3
91.13934	1.8
93.07040	20.1
95.04949	6.3
95.08594	17.9
97.06510	3.5
99.08048	1.6
103.05464	1.9
105.06328	2.7
105.07021	51.9
107.04964	2.7
107.08578	19.6
109.06499	10.7
109.10109	7.9
111.08070	8.0
117.06980	10.2
119.08566	44.8
121.06472	4.7
121.10130	16.6
123.08039	5.8
123.11667	2.6
129.06996	4.2
131.08557	18.7
133.10118	33.7
135.08041	13.4
135.11694	5.3
137.09593	3.3
142.07719	3.4
143.08528	11.2
144.09338	4.2
145.10103	16.9
147.08009	2.2
147.11676	21.5
149.09601	3.5
151.11237	2.2
157.10098	13.8
158.10884	3.9
159.11684	23.2
161.09622	3.5
161.13222	6.2
163.11166	5.2
169.10130	5.3
171.11647	6.8
173.13228	28.6
175.11191	5.5
175.14796	4.0
177.12807	4.1
183.11668	7.1
185.13232	4.8
187.11165	3.4
187.14751	4.9
191.14314	6.9
197.13220	6.8
199.14755	7.9
201.12759	5.0
203.14281	3.0
213.16319	2.6
214.17293	2.1
215.17860	3.0
217.15891	3.0
217.91096	1.7
218.86125	1.6
225.12698	1.7
239.17950	6.8
247.20537	2.3
257.18958	13.9
274.73264	1.8
275.20026	100.0
275.27750	3.5
276.20297	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.74084	0.7
53.03920	1.5
55.01859	1.7
55.05502	16.8
57.03382	1.0
57.07058	1.4
59.04982	0.8
65.03930	1.3
65.46741	0.6
67.05130	1.2
67.05492	18.2
67.92466	0.7
69.03404	0.7
69.07056	10.3
70.06590	0.7
71.04970	2.7
71.06914	0.7
71.14896	1.8
79.05479	18.9
79.19025	0.6
81.07040	22.5
83.04953	1.8
83.08144	0.8
83.08606	6.2
85.06529	1.1
88.07610	1.6
91.05464	48.7
93.07031	17.7
95.04937	2.2
95.08590	13.1
97.06487	1.9
97.10143	2.6
102.09143	0.7
103.05457	2.4
105.07014	78.0
106.07298	1.0
107.04935	3.6
107.08559	12.3
109.06512	1.5
109.10140	4.6
111.08073	1.2
115.05400	1.0
117.06237	1.2
117.07000	11.0
119.08559	39.9
121.00443	0.8
121.06470	2.5
121.10125	6.1
123.08025	2.0
128.06274	0.8
129.06981	1.8
130.07751	0.9
131.07541	0.9
131.08540	15.5
133.10106	46.9
134.10429	1.2
135.08057	1.2
135.11713	3.4
137.09578	1.5
141.06958	1.1
143.08534	2.8
145.10094	18.8
146.10855	0.9
147.07982	1.3
147.11661	26.7
148.11931	1.0
149.09555	5.4
149.13210	1.2
155.08537	1.5
157.10110	3.1
159.11661	8.4
161.09631	1.2
161.13232	5.4
161.14449	0.7
163.11148	2.0
165.12698	0.7
169.10175	1.5
171.11671	2.9
173.13191	4.4
175.11108	1.6
179.10701	0.6
181.12294	0.8
183.11707	2.8
185.13239	1.4
187.11198	0.9
187.14719	0.7
189.12700	0.9
193.12152	0.8
197.13188	2.3
201.12682	1.1
219.13899	1.3
229.19493	1.7
239.17955	3.5
247.20529	1.0
257.18924	7.6
257.26624	0.8
275.20020	100.0
275.27704	9.8
276.20370	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.3
57.07054	0.8
60.39947	0.9
66.99803	0.8
70.06579	1.5
71.72417	1.6
81.07025	0.9
84.08130	2.8
86.09692	1.7
90.94798	1.0
93.07034	0.9
95.01218	0.8
106.65654	0.8
109.06537	0.9
113.00002	2.5
114.05493	1.8
117.03944	0.8
118.29259	0.8
119.01929	2.3
129.10205	0.9
131.01891	1.7
133.03467	0.9
145.03491	1.1
155.01852	1.0
173.06654	1.7
185.06607	3.0
187.04544	1.0
203.07687	1.4
221.93195	0.7
248.43678	0.9
257.02682	3.0
260.14905	0.9
275.04565	2.2
275.10992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2572
Annotation	Trixagoene
Peak:m/z	Relative Intensity
51.11336	1.3
55.05500	14.4
57.07059	6.6
67.05183	1.8
67.05499	23.6
69.07056	31.1
70.32004	6.1
79.05471	13.7
81.07040	71.3
83.08146	1.8
83.08599	13.6
91.05461	12.8
93.01023	1.5
93.07030	34.9
95.04915	1.5
95.08591	65.7
97.10172	9.9
105.07011	24.8
107.08577	50.1
109.06457	2.4
109.09398	2.4
109.10139	48.6
111.11689	3.8
119.08571	21.9
121.10125	46.7
123.11693	40.3
131.08551	2.4
132.93857	1.4
133.10103	16.9
135.11670	27.7
137.13200	12.5
145.10059	2.0
147.11644	19.9
149.12093	3.0
149.13228	44.2
151.14754	5.4
161.13220	26.2
163.14787	29.0
165.16371	1.8
167.20699	1.3
175.14787	14.1
177.16342	16.2
189.16339	20.5
191.17886	11.7
203.17900	19.0
217.19495	29.1
231.21010	4.7
240.51382	1.3
255.25394	1.7
272.86850	1.5
273.25711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33680	8.3
55.52006	8.4
56.96562	100.0
62.73495	8.1
70.98117	41.6
71.48362	18.9
73.02895	9.3
84.08139	20.0
98.97578	18.5
101.00865	15.1
103.02462	10.2
111.23933	8.4
119.01906	66.5
125.07104	24.8
127.32637	7.6
128.98576	24.7
129.03720	8.1
129.10092	7.5
131.01898	51.1
133.03462	8.2
137.02972	13.9
145.03435	35.2
146.99615	29.9
149.02994	11.6
157.03506	18.4
159.05019	16.8
161.02951	8.9
165.00699	18.0
169.03485	14.6
171.58380	8.1
172.97585	24.7
173.02966	10.0
174.99135	31.8
177.02455	11.6
185.02864	21.0
187.04575	29.3
190.98627	81.3
193.00212	70.2
203.03975	44.3
208.99628	15.5
213.02460	13.2
218.98212	11.9
221.05052	25.8
229.05673	9.6
231.03574	27.1
232.99663	33.3
251.00511	12.6
271.21088	9.4
275.01862	15.7
275.06195	25.1
293.03772	12.1
293.07428	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1846
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.44073	1.1
55.05513	5.7
57.03414	2.3
57.07051	2.8
57.23812	1.2
59.04966	1.8
65.03927	1.3
67.05495	7.4
69.03415	2.0
69.07062	10.6
70.81260	3.9
71.04976	5.2
79.05479	6.0
81.07041	10.2
83.04945	3.5
83.08599	2.4
85.06531	5.9
91.05473	9.7
93.07031	10.2
95.04957	25.0
95.08614	6.7
97.06515	2.6
99.08050	2.7
105.07008	20.8
107.08574	13.9
109.06514	32.8
109.10149	11.7
111.08060	5.1
115.05407	1.3
115.07520	1.3
117.07050	5.6
119.08570	25.2
121.06521	2.1
121.10135	8.3
123.08059	30.4
123.11687	3.5
125.09641	1.6
128.06255	2.8
129.06982	5.5
130.07762	3.1
131.08540	21.5
133.06436	2.2
133.10118	13.3
135.08025	8.6
135.11659	2.2
136.08823	1.2
137.09592	6.3
139.07368	1.1
141.06912	2.2
142.07770	9.1
143.08534	12.6
144.09303	2.5
145.06395	1.5
145.08940	2.2
145.10107	36.7
147.07996	5.7
147.11661	16.9
149.09587	3.6
151.07547	4.1
151.11130	5.6
154.07753	1.2
154.73309	1.2
155.08498	3.7
156.09335	11.8
157.10100	26.1
158.10861	5.9
159.08037	5.5
159.11673	11.6
160.08734	1.4
161.09570	7.0
161.13231	4.0
163.11157	3.8
166.07707	1.4
167.08582	1.6
169.10114	6.6
170.10880	3.8
171.11673	25.3
172.08812	2.0
172.12375	1.5
173.09608	13.7
173.13239	27.2
174.10365	3.6
175.11133	12.3
177.12680	1.7
181.10106	3.8
182.10922	6.9
183.11667	3.7
184.08746	1.3
185.09549	3.6
185.13223	9.5
186.10446	2.1
187.11159	13.9
187.14722	6.0
189.12723	23.4
189.16313	1.6
195.11668	4.1
196.12393	2.2
197.13232	13.4
198.13913	1.6
199.11150	17.4
200.11929	1.7
201.12808	1.6
203.14316	6.0
207.11729	3.4
211.14792	5.0
212.11958	1.4
212.15541	3.6
213.12766	8.5
213.16354	14.6
214.13557	3.2
215.14294	40.0
216.14725	1.1
217.12202	11.1
222.14015	3.9
225.12695	3.5
227.14267	1.5
229.15831	4.4
230.16617	2.1
231.13802	1.6
231.17429	16.2
237.16325	4.5
237.98160	1.3
240.15096	3.8
249.46635	1.3
255.17427	34.2
256.17746	1.5
273.18457	100.0
274.18811	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1846
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.03793	1.5
51.51619	1.6
55.05505	8.9
57.07061	3.9
59.04983	2.8
65.49142	1.6
67.05506	10.3
69.03413	3.1
69.07062	14.8
70.27453	2.1
70.27792	7.3
71.05004	2.2
79.05493	13.7
81.07047	18.9
83.04929	2.5
83.08594	4.0
85.06515	5.3
91.05467	18.9
93.07037	17.9
95.04935	4.8
95.08589	17.0
97.06507	2.8
98.97560	2.7
103.05466	2.2
105.07024	29.9
107.08575	22.5
109.06504	26.4
109.10149	12.8
111.08062	3.3
111.11738	1.7
115.05388	2.5
117.07010	8.0
119.04901	1.7
119.08566	28.3
121.10134	18.4
123.08038	3.1
123.11655	2.6
128.06206	5.5
129.06979	11.8
130.07838	3.9
131.08536	18.7
133.06465	14.5
133.10118	18.8
135.08047	10.1
135.11687	5.9
137.09569	2.1
141.06923	8.0
142.07779	11.3
143.08560	26.0
144.09296	3.5
145.10114	27.2
147.04401	5.1
147.08054	3.9
147.11668	17.6
149.09621	8.3
149.13200	5.1
150.09441	1.8
153.01787	10.8
153.06958	3.0
154.07738	3.2
155.08502	15.8
156.09338	18.2
157.10100	34.5
159.08014	5.0
159.11658	15.5
161.09561	7.3
161.13246	4.4
163.14882	2.1
165.06949	4.4
166.07745	2.6
167.08530	7.6
168.09331	2.8
169.10103	27.2
170.10898	9.4
171.11681	34.1
172.12332	3.7
173.09619	22.3
173.13148	8.9
174.10355	3.1
175.11174	13.3
179.08504	1.8
180.09302	3.6
181.10091	10.5
182.10869	15.3
183.11644	15.1
184.08696	1.7
185.13185	10.8
187.11243	4.1
187.14803	4.9
189.12709	15.6
189.16335	1.7
193.10078	4.4
194.10806	3.1
195.11723	9.9
196.12395	8.3
197.09612	2.1
197.13240	54.0
198.10333	1.8
198.14027	7.1
199.11171	23.3
207.11685	8.0
209.13243	6.2
211.11279	2.6
211.14775	21.4
212.11908	2.3
212.15572	18.2
213.12752	7.0
213.16336	29.2
214.13452	3.0
215.14281	16.7
217.12219	4.6
222.14012	5.7
225.12767	5.9
227.14267	13.6
229.15866	12.5
230.16571	4.5
231.17502	6.1
237.16417	8.3
240.15063	5.7
255.17418	70.9
273.07516	6.7
273.18457	100.0
273.25464	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.1
55.01855	13.0
55.05495	4.2
56.51011	2.1
56.96553	2.9
57.03432	22.9
65.03925	2.3
67.05495	20.7
69.03412	6.7
69.07043	5.8
70.00276	11.3
70.06566	4.7
71.04971	6.7
72.08132	3.9
72.93768	2.3
73.02893	2.2
77.03864	1.8
79.05016	2.7
79.05482	51.8
80.05784	1.9
81.03400	6.8
81.07037	11.7
83.04979	4.5
83.08601	2.2
84.08115	8.0
85.02886	6.3
85.06493	2.1
86.09683	6.8
91.05466	51.3
93.07028	55.1
95.04938	9.3
95.08590	15.7
97.02881	3.6
97.06493	3.4
97.10143	2.6
98.21354	2.9
99.04443	2.3
100.07603	4.7
103.03939	3.2
103.05472	3.6
105.07009	4.7
107.04941	44.5
107.08574	32.2
109.06488	5.3
111.08071	2.1
114.09122	2.0
115.05449	9.4
116.07050	2.1
117.07001	47.7
119.08559	3.4
121.06479	12.4
125.09602	18.2
127.03917	2.6
129.10281	3.5
130.13618	1.9
135.08029	100.0
136.20984	2.0
137.05940	6.1
145.06487	16.9
147.04356	4.1
153.01822	2.5
153.09082	33.0
163.07523	57.8
181.08562	28.1
199.09541	9.1
255.12305	10.6
273.13348	38.3
273.18811	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1117
Annotation	Warburgin
Peak:m/z	Relative Intensity
53.03939	1.7
55.01870	2.5
55.05510	1.8
57.03426	1.7
67.05235	0.5
67.05503	4.7
69.03400	1.7
69.07056	7.4
71.04980	2.1
77.03919	1.4
79.05484	17.1
80.06276	1.4
81.03405	1.0
81.07050	5.1
83.04970	1.4
83.08618	0.9
89.03941	0.8
91.05462	4.9
93.07025	3.0
93.29092	0.5
95.04959	2.6
95.08585	3.2
96.39355	0.6
97.06519	35.3
102.04671	2.9
103.05444	1.4
105.03424	1.2
105.04467	0.8
105.07018	1.1
107.04946	1.2
107.08572	2.0
109.06493	0.6
109.10143	2.2
111.08063	5.3
112.08872	4.2
115.05425	1.5
117.06977	1.3
119.04928	1.7
119.08554	1.7
121.10152	0.9
129.06969	1.4
130.04108	3.4
131.04926	1.8
131.08551	1.7
133.02835	9.6
133.10117	1.0
134.03621	2.0
135.04420	0.7
135.08072	2.6
141.07002	1.3
143.04999	0.7
143.08569	0.7
145.02785	0.8
145.06474	1.7
145.10054	0.9
147.04388	5.6
148.05167	1.3
149.13326	0.8
151.03909	1.3
152.06207	1.4
153.01755	0.8
153.06998	0.6
153.09048	0.7
157.06497	1.5
157.10109	1.1
159.04417	3.0
159.05559	0.5
159.08040	0.9
159.11620	0.8
161.02364	3.5
162.03104	25.7
163.03899	5.1
163.07536	1.8
165.06985	0.6
165.16402	0.7
167.08582	2.6
169.06464	1.2
171.07982	0.9
171.11612	0.7
173.02330	100.0
174.02710	0.9
175.03864	0.7
176.04665	1.7
177.05450	31.5
177.16400	0.6
181.06447	0.9
184.05128	0.9
185.05933	2.5
185.09637	1.0
185.13423	0.6
186.03149	1.5
187.03964	2.5
187.07524	1.0
195.08014	2.4
197.05963	1.3
198.06644	0.6
199.03894	2.7
199.07536	0.9
201.05429	0.7
213.05551	0.8
213.09074	2.6
215.07010	52.8
216.07358	0.7
223.07506	2.1
241.08586	11.9
255.17592	0.7
259.09555	1.0
259.20914	0.5
273.11169	65.2
273.17981	2.5
273.25748	1.4
274.11389	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03931	0.5
55.01858	1.2
55.05473	0.6
58.06696	0.4
65.03940	0.7
67.01857	6.8
67.05481	1.2
68.99773	3.4
69.03419	2.5
69.07053	0.4
71.47951	0.5
71.48280	0.6
73.34025	0.4
79.05475	1.4
81.03387	0.8
81.07038	1.7
83.01347	0.9
83.04952	0.8
83.08623	0.4
84.08131	0.5
85.02898	0.8
91.05467	7.9
93.07006	1.2
95.04961	2.6
95.08618	0.8
97.02863	1.4
97.06517	0.7
105.04508	0.5
105.07011	1.0
107.04932	3.0
107.08589	0.5
109.10146	0.7
111.00791	0.5
111.04416	1.2
115.05455	0.7
117.07031	0.7
119.04928	15.7
119.08537	0.7
121.02913	0.5
121.06431	1.9
123.04433	3.9
125.02341	0.8
126.67635	0.4
127.03899	0.5
128.06200	0.7
129.01784	0.7
129.06953	0.7
131.08588	0.8
133.06462	0.5
133.10052	0.6
134.06790	0.4
135.00626	0.4
141.06999	0.5
143.08543	0.9
145.06430	0.6
145.10095	0.9
147.04390	38.4
149.05916	0.9
151.07524	0.4
151.11186	0.4
153.01807	100.0
153.06914	1.8
154.02080	0.7
155.08530	0.5
162.15309	0.4
163.11182	0.7
171.02870	27.5
171.07997	0.8
171.11772	0.4
179.03366	1.3
181.06543	1.8
189.05409	1.2
198.06712	0.5
209.05908	0.6
213.09198	0.4
227.07043	1.3
241.08487	0.7
243.11267	1.1
245.04431	0.4
245.08066	0.9
255.06451	2.2
255.17345	0.6
273.07538	71.7
273.18460	1.4
274.07855	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1439
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
55.05490	1.2
57.07078	0.9
58.06596	0.9
67.05495	1.5
69.07054	1.3
70.06610	0.7
70.77010	0.6
70.77368	1.7
72.98821	0.5
79.05471	3.3
79.60822	0.5
81.05791	1.5
81.07031	1.4
91.05481	1.6
93.05782	0.9
93.07014	0.9
94.06567	1.5
95.04954	0.7
95.08597	1.5
96.08121	3.4
105.07001	1.6
106.06537	2.1
107.08573	0.9
108.08103	10.2
109.10117	1.2
115.05377	0.6
117.06974	0.8
118.06523	0.9
119.08540	1.4
120.03532	0.5
120.08086	1.4
122.09666	1.7
123.08070	0.7
124.35011	0.7
128.06189	1.1
129.07001	1.7
131.08569	0.6
133.10120	0.7
134.05994	2.7
135.08060	0.8
136.07538	2.0
141.06923	0.7
142.07802	1.1
143.08499	1.0
144.08084	0.7
147.06830	1.2
147.11655	0.7
148.07561	1.2
153.06963	0.9
154.06497	1.3
155.08490	1.1
156.08131	1.6
157.08871	0.8
157.10120	1.7
158.05923	0.9
158.09685	0.9
159.08089	2.6
159.09181	0.8
159.11700	1.1
165.06995	0.7
166.07729	0.9
168.08061	5.2
168.09344	0.8
169.08865	4.9
169.10106	1.1
170.09650	1.8
171.11678	0.8
172.07555	1.4
172.11217	0.7
174.09152	2.5
181.10141	2.7
182.05975	0.7
182.09610	2.6
183.08014	1.1
183.10342	7.9
183.11710	1.6
184.09810	0.6
184.11322	0.6
185.10704	2.2
186.09129	1.0
186.11488	2.0
194.09618	0.8
196.07559	6.7
197.08322	11.3
198.09117	1.9
198.12764	9.2
199.08621	8.8
199.12320	1.6
200.09273	0.7
200.13029	1.3
208.11223	1.1
210.09128	3.1
210.11304	1.0
211.07961	1.2
211.09888	17.6
211.14946	0.5
212.09259	1.3
213.10178	15.6
214.10970	5.5
215.15460	4.4
225.13913	1.2
226.12257	37.4
227.08231	1.3
227.11757	21.5
228.12537	32.4
229.12831	0.9
238.10880	0.7
239.09499	0.7
239.11784	1.0
240.08835	1.0
241.09720	1.7
241.13347	1.2
242.10361	1.4
243.14905	26.2
243.17418	1.3
244.15331	1.0
253.13426	5.7
253.15849	1.3
254.11789	2.6
254.24698	0.8
255.11250	27.7
256.12039	29.8
257.12308	1.1
269.12851	1.2
271.06381	3.2
271.14380	100.0
272.14890	2.9
272.25751	1.5
291.23752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1438
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
55.01854	1.4
55.05499	3.2
57.07056	2.0
58.68837	1.4
64.10080	1.1
67.05490	4.5
69.07071	6.7
71.49904	1.9
79.05478	6.6
80.04967	1.4
81.07060	8.4
85.88667	1.5
91.05468	5.5
93.05777	1.9
93.07000	4.6
95.04916	1.6
95.08595	4.5
96.08107	5.5
105.07048	8.0
106.06525	3.9
106.10093	1.4
107.08578	3.6
108.08111	17.1
109.02878	1.3
109.06439	2.3
109.10133	5.6
110.09693	1.3
117.07047	1.6
119.08569	3.4
120.08099	2.4
121.10131	2.9
122.09675	2.8
123.11665	1.6
128.06253	1.5
129.06987	3.2
133.06490	1.3
133.10103	3.8
134.05984	2.9
136.07599	2.2
142.07813	1.8
143.08537	2.1
144.08096	1.9
145.10118	3.1
147.11627	2.0
149.13228	1.6
153.06946	2.6
155.08516	1.9
157.10095	2.3
159.08025	2.7
159.11623	1.7
160.07628	1.5
166.07698	1.6
168.08099	5.1
169.08841	5.2
171.11639	1.4
172.07521	3.8
173.13280	1.7
174.09148	3.9
181.10132	3.4
182.06001	1.9
182.09613	3.0
183.10356	7.6
183.11769	2.2
185.10757	3.4
186.09206	2.5
186.11504	2.9
196.07561	12.0
197.08318	20.2
197.10329	1.6
198.09193	2.9
198.12772	9.1
199.08618	13.9
199.12338	3.4
200.12999	1.9
208.11259	3.1
210.09167	5.3
211.09882	33.4
213.10214	28.0
214.10954	8.5
215.15477	7.0
225.13783	2.3
226.12244	67.6
227.11760	24.7
228.12529	42.0
229.15825	1.8
241.09775	2.0
242.10521	3.3
243.14920	42.1
253.13371	10.2
254.11789	3.9
255.11304	3.4
256.12088	12.9
271.06113	10.8
271.14404	100.0
271.16882	6.2
271.20590	3.0
271.24130	6.7
272.14755	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	1.3
57.07068	24.9
68.05013	3.0
69.90263	11.2
70.06575	6.7
72.08137	3.5
80.04967	1.4
81.04513	6.8
82.43117	1.4
83.06085	6.0
84.04494	1.8
84.08115	2.0
85.02866	1.8
86.09692	2.8
87.08089	2.6
93.04506	2.8
93.07008	1.6
95.06082	76.9
95.81542	1.3
97.07635	3.1
101.07146	2.5
107.06066	8.7
109.06374	5.0
110.07156	55.5
117.74778	1.4
122.07143	71.8
124.08715	36.1
128.08438	1.3
136.07594	1.7
150.06596	4.0
151.64017	1.5
156.07672	2.8
168.07687	4.1
206.12825	3.9
224.13919	100.0
252.13379	6.2
270.09857	2.5
270.14459	65.6
270.27823	3.6
271.06067	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1897
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
53.03937	2.9
55.05494	11.3
57.03412	5.7
57.07061	7.3
65.03912	2.8
67.05492	29.6
69.03390	6.1
69.07063	15.8
71.04964	3.1
71.74858	2.3
79.05486	19.9
81.03393	2.3
81.07047	29.9
83.04967	3.3
83.08598	6.3
91.05474	24.1
93.07034	34.4
95.04955	20.3
95.08596	35.0
97.06528	8.2
98.21120	2.9
103.05494	3.3
105.07014	38.7
107.08579	28.1
109.06524	10.6
109.10159	13.0
111.08070	4.6
115.05472	2.8
117.06995	11.7
119.08560	49.4
121.06512	5.5
121.10137	17.8
121.42525	2.1
123.08028	6.5
123.11671	3.7
128.06215	5.8
129.06985	13.9
130.07787	5.0
131.08551	33.5
132.55440	2.0
133.10130	30.5
135.08020	5.7
135.11679	4.6
136.06218	2.8
141.06967	3.6
142.07770	12.5
143.08540	28.9
144.09309	4.7
145.10103	33.5
147.08029	6.8
147.11720	11.3
149.09653	3.2
149.13235	6.7
154.07745	3.0
155.08519	8.9
155.72282	2.0
156.09341	16.0
157.10106	34.1
158.10863	8.4
159.08067	2.8
159.11702	18.0
161.09665	4.6
161.13142	2.5
163.11201	2.5
165.06938	3.2
167.08533	4.4
169.10106	15.2
170.10905	12.8
171.11646	31.9
172.12381	4.4
173.09653	3.0
173.13225	35.9
175.11172	5.4
179.08527	6.2
180.09315	4.2
181.10139	7.4
183.11641	13.0
185.09616	3.6
185.13245	40.8
186.14041	8.7
187.11220	4.1
187.14775	14.5
193.10138	3.4
194.10922	5.8
195.11696	11.1
195.13744	3.7
196.12495	3.0
197.13220	6.4
198.13814	2.7
199.11288	4.6
199.14751	13.0
207.11769	3.1
209.13275	9.0
211.08765	2.2
211.11342	2.4
211.14752	13.4
213.12704	16.0
214.12308	5.9
221.13118	2.7
225.12816	3.2
225.16365	3.1
226.10854	4.1
227.14293	8.9
236.15790	3.0
241.13301	4.6
241.19539	7.5
251.17876	10.2
269.12967	19.2
269.19006	100.0
287.14001	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03941	2.6
54.81346	1.4
55.01856	3.5
55.05505	24.1
55.86205	1.2
57.03429	27.5
57.07061	5.1
57.94516	1.3
63.82590	1.3
65.03929	1.9
67.05496	75.3
68.89561	1.2
69.07059	25.8
71.04986	6.1
71.29791	2.6
73.21814	1.3
79.05484	45.0
81.03404	1.6
81.07045	100.0
82.07381	1.5
83.04986	9.5
83.08611	18.1
85.06526	4.8
85.10214	1.5
89.35698	1.2
91.05466	28.3
93.07033	70.5
95.04951	9.4
95.08598	25.2
97.06509	14.6
97.10136	2.0
99.08077	5.1
105.07011	11.6
107.08572	36.7
109.06496	3.1
109.10130	5.7
111.08054	8.3
117.07008	12.1
119.08565	4.7
121.06509	2.8
121.10119	18.2
121.36815	1.4
123.08033	1.7
123.11703	3.8
125.09582	1.8
131.08556	13.0
133.10106	13.5
135.08031	2.7
135.11662	9.7
136.06149	1.6
137.06557	1.3
138.02637	1.2
138.03851	1.5
139.11214	1.6
143.08551	2.6
145.10124	2.6
147.11700	2.3
149.09648	1.9
149.13245	38.1
151.11145	1.6
157.10106	3.4
159.11673	24.2
161.13234	1.7
171.11700	2.2
173.13255	2.9
177.12717	10.9
179.14333	1.7
185.13313	1.5
195.11960	2.6
195.13756	14.1
209.13341	1.9
211.14790	2.7
225.16504	1.3
269.17252	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03923	4.2
53.04389	1.1
55.01852	3.0
55.05509	23.1
57.03435	30.7
57.07055	4.7
65.03912	1.4
67.05499	77.6
69.03395	1.7
69.07067	29.6
70.17270	1.1
71.04991	7.7
71.08604	2.0
71.66376	2.0
79.05487	47.8
80.12514	1.2
81.03384	1.4
81.07050	100.0
83.04974	11.7
83.08168	1.3
83.08614	18.6
85.06545	6.9
91.05472	25.4
93.07037	62.8
95.04494	1.0
95.04963	9.7
95.08603	27.5
96.94973	1.1
97.06521	16.2
97.10159	1.9
99.04411	1.2
99.08048	4.7
99.28638	1.2
103.31825	1.2
105.07035	11.8
107.08584	36.4
109.06475	4.1
109.10142	7.5
111.08061	7.7
112.09200	1.1
113.09599	1.7
115.05370	1.8
117.07018	12.8
119.08530	5.5
121.06465	4.0
121.09387	1.4
121.10138	19.0
123.08036	1.7
123.11645	3.9
127.07484	1.4
129.06944	1.5
130.07686	1.3
131.08566	13.3
133.10118	15.9
135.08025	2.7
135.11668	12.8
136.06117	1.8
137.06476	1.4
139.11098	1.6
143.08519	3.1
145.10068	2.5
147.11638	2.3
149.09575	2.7
149.12134	2.3
149.13246	36.0
153.09018	1.2
157.10069	3.5
158.88979	1.2
159.11691	24.5
161.13219	1.3
171.11624	2.2
177.09071	2.0
177.12747	8.7
181.10133	1.1
185.13203	2.2
188.29921	1.3
195.13806	13.6
199.14729	1.4
211.14775	1.8
213.14658	1.5
219.28831	1.2
269.17358	49.0
269.22427	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.05498	2.9
57.07045	1.1
63.11690	0.6
65.29160	0.5
69.07054	5.7
70.06038	3.3
79.05479	7.2
81.03407	1.2
81.07039	4.1
83.08595	0.8
91.05460	8.5
93.07000	3.3
94.06548	12.4
95.04941	1.7
95.08593	2.4
98.21349	0.7
103.05437	3.3
104.04947	1.4
105.07015	7.8
106.06538	1.1
107.08571	1.2
115.05421	2.2
117.05734	0.6
117.06997	1.5
119.08546	2.0
120.08102	1.0
121.08875	0.6
128.06200	6.5
129.06989	3.1
131.07281	0.8
131.08522	1.2
132.08003	0.7
136.06165	12.0
141.06947	1.7
142.07722	1.0
143.07275	1.7
143.08530	5.8
144.08060	32.5
145.08772	1.8
149.13266	0.9
153.07011	0.9
154.15036	0.6
155.07277	1.3
155.08504	1.0
156.08075	6.5
157.08878	8.3
157.10094	1.3
158.09613	7.5
159.11685	0.8
165.06979	0.7
167.07239	0.7
167.08577	1.4
168.08067	10.2
169.08864	5.2
170.09610	8.3
181.08755	1.1
181.10156	1.5
182.09621	22.5
183.10410	18.0
183.11746	0.4
184.11185	19.6
195.11742	0.7
196.11208	9.5
197.11987	4.8
198.12737	2.4
210.12665	3.6
211.13586	0.8
212.14391	1.4
224.14255	2.7
226.15788	1.4
238.15857	2.0
242.95300	0.6
253.18300	0.8
266.18924	0.9
268.20554	100.0
269.20847	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68354	2.6
61.88724	3.1
69.39390	13.7
69.39821	16.3
73.09618	2.5
77.85483	2.9
79.30264	2.7
88.08026	2.8
112.89613	14.1
121.47309	2.9
136.93997	9.1
138.79631	2.7
162.95578	5.0
239.85849	3.3
268.98218	100.0
269.01144	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01847	0.4
55.94401	0.2
56.21088	0.2
57.03418	0.6
69.03424	0.2
69.76921	1.0
73.02893	0.2
85.02919	0.4
93.10233	0.2
94.04063	0.5
97.02911	0.2
104.04931	0.2
119.03532	0.8
136.06171	100.0
137.04555	0.6
137.06589	0.9
212.13809	0.2
268.10388	5.2
268.98184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34604	0.3
55.05500	0.4
57.03417	0.3
69.54971	1.8
69.55398	1.1
79.05474	0.6
81.03412	1.6
81.07033	0.5
82.03728	0.8
91.05470	0.9
93.05775	1.9
94.06538	0.9
95.04966	0.5
95.08556	0.5
105.07030	0.5
106.06554	1.3
107.07330	3.0
108.04475	2.0
115.05457	0.4
117.05751	2.6
118.06535	2.7
120.08115	0.7
129.06990	0.6
130.06509	9.7
131.07327	2.4
132.08087	1.4
136.06166	2.7
142.06529	0.7
143.07306	0.9
144.08073	3.1
154.06476	1.2
155.07297	0.9
155.08488	0.5
156.08054	3.0
157.08835	1.0
158.09628	1.0
165.06970	2.2
167.07294	3.9
167.08551	0.6
168.08083	9.0
169.08824	1.4
170.09651	4.4
172.11140	0.3
179.08559	0.8
180.08054	6.7
181.08823	3.1
182.09642	56.4
183.10426	8.8
184.11194	3.0
194.09631	3.4
194.12531	0.4
195.10460	0.8
196.11208	21.1
197.11964	5.4
198.12729	1.3
210.12764	5.9
211.13493	0.9
214.15941	1.6
220.52203	0.4
224.14401	0.7
238.15833	0.7
240.17490	0.6
251.37712	0.4
252.17349	0.8
257.69995	0.4
266.18927	1.2
268.20581	100.0
269.20905	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1036
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.42307	0.2
57.03436	0.4
69.03412	0.2
71.01352	0.3
71.04096	0.4
71.04440	0.3
73.02895	0.2
79.11345	0.2
85.02895	0.3
94.04058	0.5
112.05074	0.2
119.03511	1.0
136.06168	100.0
137.04613	0.5
137.06602	1.1
145.38766	0.2
187.09853	0.2
268.10376	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03938	3.7
55.01863	2.6
55.05504	8.1
56.96572	0.8
57.03150	1.3
57.03428	20.3
58.42204	0.5
65.03933	0.7
67.05494	12.0
69.03407	2.9
69.07051	2.9
69.77139	1.3
69.77548	3.0
71.04988	1.4
74.92714	0.6
79.05479	13.3
81.03405	100.0
81.06596	1.0
81.07043	14.0
82.03728	0.6
83.04959	6.3
83.08607	14.0
85.06532	1.2
87.46353	0.6
91.05463	18.7
93.07034	8.3
95.04951	22.5
95.08603	4.8
95.83875	0.6
97.02876	2.1
97.06511	1.5
97.10161	1.5
99.08077	0.6
99.89272	0.6
101.49679	0.6
103.05421	0.6
105.07006	14.0
107.04956	4.7
107.08559	3.5
109.06489	3.9
109.10132	2.4
111.04405	2.1
111.08064	6.1
115.05456	2.2
117.07039	1.7
119.08569	11.7
121.06489	2.5
121.10128	5.3
123.08047	2.1
123.11742	0.8
125.09608	0.6
128.06245	0.8
129.06992	7.8
131.08530	6.6
133.06479	2.8
133.10100	4.8
135.11685	1.0
136.06133	0.8
137.09583	1.4
142.05829	0.5
142.07747	2.3
145.10086	2.0
147.08069	2.7
147.11667	6.7
149.09587	3.5
151.11215	0.6
157.10100	10.1
163.11104	1.4
165.12703	2.4
175.11133	9.1
183.11615	0.8
193.12218	17.9
205.12251	0.7
211.13275	2.7
223.13258	0.8
249.14905	1.7
267.15872	40.9
285.09915	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1953
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
53.00298	2.2
53.03946	2.3
55.01878	2.8
55.05516	12.3
57.03426	8.1
57.07076	2.4
62.99062	2.8
67.05177	2.4
67.05499	22.4
69.03420	2.3
69.07073	15.6
70.28477	8.3
71.04989	2.2
71.08628	100.0
79.05495	14.1
81.03420	20.6
81.07055	20.9
82.93113	2.0
83.04971	6.8
83.08605	11.4
85.06547	3.2
91.05467	21.2
93.07047	15.2
95.04956	8.6
95.08594	15.3
97.06523	4.2
99.08083	84.2
105.07024	12.0
105.07624	1.8
107.04952	15.1
107.08576	9.8
109.06525	3.8
109.10169	11.0
119.08571	9.2
121.06477	2.2
121.10145	8.1
123.11699	5.1
129.06992	3.6
131.08496	4.0
133.10117	12.0
135.08052	7.5
135.11670	7.0
136.06181	10.6
137.09657	3.3
143.07051	2.7
143.08551	2.2
145.10078	3.7
147.08011	3.1
147.11658	5.1
149.09598	21.9
149.13249	2.7
151.11174	27.1
156.19560	2.1
161.09608	5.0
161.56749	1.9
165.12706	1.9
169.10155	3.6
171.11568	3.6
174.18961	2.0
183.11728	5.4
191.17892	2.6
193.10237	2.0
193.12202	3.9
194.10876	2.4
197.09668	2.0
197.13344	2.7
203.18144	2.3
207.11778	3.0
209.13103	2.0
211.11304	2.2
219.11644	2.3
223.14767	4.4
231.17461	4.3
249.16309	2.8
249.18561	12.5
267.17737	21.4
267.20023	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.19
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
55.11209	0.4
67.05490	0.9
69.07064	0.4
69.69984	2.4
69.70404	0.8
78.79483	0.4
79.05475	1.2
81.03387	1.7
81.07053	0.7
81.70996	0.3
83.08605	0.4
88.00941	0.4
91.05460	1.7
93.07023	1.0
94.06551	0.7
95.04965	0.4
98.20648	0.5
105.07014	0.9
106.06534	0.6
107.07308	1.6
108.08041	0.4
115.05450	0.5
117.05749	7.2
117.07005	1.3
118.06504	1.6
119.08551	0.4
129.06984	0.5
130.06512	0.7
131.07283	2.4
131.08427	0.5
133.10106	0.4
134.06029	0.4
144.08066	1.4
145.08907	0.7
154.06467	0.7
155.08472	0.5
157.08853	0.6
158.09666	0.9
167.07292	2.9
167.08511	0.6
168.08069	0.9
180.08063	12.4
181.08838	14.5
182.09636	9.5
194.09636	39.4
195.10413	10.9
196.11162	5.1
207.10364	0.4
208.11191	5.8
209.11948	1.6
210.12782	1.2
222.12756	3.2
223.13565	0.5
234.12590	0.5
236.14268	0.9
266.19016	100.0
267.16223	0.5
267.19312	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03944	4.2
55.01864	2.8
55.05509	9.2
57.03148	1.4
57.03428	20.1
57.07053	0.6
59.04988	2.2
65.03928	0.9
67.05495	17.2
69.03413	2.7
69.07053	3.3
69.69366	4.3
69.69720	0.8
71.04983	1.9
79.05485	16.6
81.03407	100.0
81.07046	17.0
82.94083	0.6
83.04968	7.6
83.08606	13.8
83.09066	1.0
84.63013	0.5
85.02926	0.8
85.06558	1.1
91.05465	22.1
93.07030	10.8
95.04955	22.6
95.08595	6.9
97.02872	2.2
97.06514	2.9
97.10168	1.5
99.04424	0.8
99.08086	0.8
105.07018	16.0
107.04949	5.1
107.08596	4.4
109.06500	4.5
109.10154	2.5
111.04440	1.8
111.08073	6.3
111.29504	0.6
113.06048	0.9
115.05425	1.5
117.06998	1.9
119.08557	14.9
121.06487	2.1
121.10123	6.7
123.08038	2.4
123.11704	0.8
125.09615	0.7
128.06209	0.8
129.06969	9.4
131.08553	8.2
133.06473	2.4
133.10104	6.5
135.11722	0.6
136.06123	0.9
137.09605	1.8
142.07793	2.3
143.08542	0.7
145.10072	1.8
147.08015	3.1
147.11667	10.8
147.12837	0.7
149.09596	4.4
157.10106	11.0
163.11221	1.2
165.12759	2.2
168.10295	0.9
174.75168	0.6
175.11176	10.9
185.13261	0.6
188.57999	0.6
193.12227	19.7
203.17938	0.7
205.12488	0.6
210.14784	0.7
211.13293	2.5
225.09309	0.7
249.14856	1.8
259.07999	0.6
265.25311	0.6
267.09668	1.3
267.15881	45.3
267.25031	0.8
285.09976	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33032	0.3
57.07055	0.3
57.81970	0.3
61.06949	0.3
67.05486	0.5
79.05471	1.2
81.03384	0.7
81.07035	0.5
91.05460	1.2
93.07031	0.9
94.06509	0.5
98.21626	0.3
105.06997	0.6
106.06523	0.6
107.07333	1.7
117.05745	7.1
117.07005	0.8
118.06499	1.3
120.08049	0.4
124.07597	0.4
129.06953	0.6
130.06520	0.7
131.07286	2.1
131.08504	0.5
132.08041	0.4
141.06960	0.4
142.06511	0.5
143.08475	0.3
144.08067	1.3
145.08847	1.1
154.06516	0.6
155.08496	0.6
157.08792	0.6
159.11716	0.3
167.07278	2.4
167.08533	0.5
168.08073	1.0
170.09624	0.9
180.06459	0.4
180.08055	11.3
181.08833	13.6
182.09622	8.2
183.10364	0.5
193.08836	0.5
194.09631	40.2
195.10408	9.8
196.11180	4.4
208.11174	6.5
209.11873	1.4
210.12761	0.9
222.12712	3.3
230.36713	0.3
236.14268	0.8
238.15852	0.6
250.15836	0.3
264.17560	0.7
266.19000	100.0
267.19354	3.1
287.24551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.7
57.07053	0.4
61.39573	0.3
62.99004	0.3
67.05489	0.8
68.05816	0.5
69.07052	1.1
70.06586	0.3
70.16275	1.5
79.05486	1.7
81.03416	2.1
81.07046	1.5
82.65237	0.3
83.08567	0.3
91.05476	1.5
93.07040	1.1
94.06555	0.5
95.04955	0.5
95.08586	1.1
97.06530	0.3
105.07005	1.0
107.07344	0.9
107.08567	1.2
109.10107	0.6
111.08102	0.4
115.05453	0.4
117.05750	6.3
117.06993	0.8
118.06497	1.3
119.08572	1.1
120.08110	0.8
121.10139	0.4
124.07603	0.4
124.73976	0.3
129.07033	0.4
131.07283	2.1
131.08495	0.5
133.10118	0.7
135.11591	0.4
140.27565	0.3
144.08086	1.3
145.08844	0.9
153.07173	0.3
153.23087	0.3
154.06459	0.7
157.10045	0.5
158.09621	0.6
167.07259	2.0
167.08508	0.4
168.08041	1.0
180.08052	10.0
180.09534	0.7
181.08847	12.5
182.09625	7.6
183.10226	0.4
194.09637	33.1
195.10413	9.4
196.11145	3.9
208.11186	5.6
209.11868	1.3
210.12729	1.0
222.12769	2.3
223.13510	0.7
224.14426	0.4
236.14360	0.7
238.15857	0.7
251.16496	0.4
266.19016	100.0
267.19690	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1383
Annotation	Salinosporamide G
Peak:m/z	Relative Intensity
53.03924	0.6
55.05501	1.0
65.28680	0.7
66.50621	0.6
67.05487	2.5
69.07050	0.7
70.06577	1.4
71.09458	1.5
72.08139	0.8
79.05501	0.9
79.23560	0.6
81.03410	4.9
81.07027	1.1
84.04494	0.7
84.08127	1.2
85.02871	1.0
86.09679	1.6
86.64112	0.7
91.05482	1.7
94.06548	8.8
95.04961	1.4
105.07037	1.4
106.06526	1.1
109.02863	0.8
110.06025	2.4
119.08543	1.0
122.06000	9.5
123.06784	13.0
133.10187	0.8
134.06010	2.2
136.07523	0.8
137.08315	0.8
138.05478	38.7
150.05487	33.0
151.06267	16.1
151.07454	1.2
152.07094	3.3
153.07843	0.7
160.07513	2.1
168.06540	100.0
169.07306	4.9
177.07777	0.9
193.04929	0.9
202.12230	1.3
220.13255	5.2
230.11757	2.1
248.12862	8.0
266.13840	47.6
267.16013	1.2
275.28662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63120	0.3
55.05505	0.6
57.03418	0.7
59.04987	1.1
61.02916	1.4
67.05494	0.6
69.03422	0.7
69.07047	0.3
69.55524	0.3
69.63731	0.6
69.64131	1.9
70.06585	0.4
71.04980	1.9
79.05479	1.2
81.03398	1.5
81.07044	3.7
83.08607	0.6
84.04545	0.6
85.02879	1.0
86.09687	0.5
87.00797	0.4
91.05458	0.7
93.07058	0.3
94.04041	1.0
95.04938	0.4
102.05579	0.3
105.01875	0.6
109.02901	0.5
109.10107	0.4
119.03528	1.9
130.05031	0.3
136.06166	100.0
137.04584	2.3
137.06487	0.3
148.06055	0.3
168.06485	0.6
193.29320	0.3
198.06612	0.3
234.13443	17.9
235.13362	0.3
266.16074	42.4
267.16171	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
70.17448	0.6
75.24567	0.1
81.56219	0.1
82.99868	0.2
94.37586	0.1
98.21429	0.2
101.00867	2.2
119.01907	11.2
120.02011	0.2
121.10184	0.1
122.97796	0.2
134.99925	0.8
137.02945	3.2
140.98790	0.2
142.03500	0.4
153.00945	0.6
158.99870	1.0
165.91617	0.1
165.99580	0.3
175.03061	0.3
177.00935	25.6
178.01044	1.2
182.99722	0.6
189.49417	0.1
193.04044	0.5
195.01968	0.5
200.02615	0.5
201.00894	1.4
201.02550	0.2
217.04063	3.4
218.03838	0.2
219.01982	27.0
220.02155	1.5
221.02055	0.4
224.00003	0.1
225.00821	2.2
234.00710	0.2
242.03671	0.7
243.01947	8.3
244.02031	0.4
260.04562	0.3
261.03030	100.0
262.03159	3.5
263.03577	0.3
266.03467	0.6
275.04626	0.2
284.04660	5.3
285.04877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82094	1.3
55.01860	1.4
55.05493	4.3
57.03152	1.7
57.03431	33.6
57.07061	3.3
58.63960	1.3
67.05493	21.4
69.07050	4.4
70.75430	3.9
71.04974	2.7
71.08591	1.7
79.05484	6.0
79.70729	1.1
81.03393	2.2
81.07047	18.9
83.04958	3.0
83.08615	1.9
85.06530	30.1
85.19341	1.1
91.05448	3.9
93.07030	7.4
95.04393	2.1
95.04957	28.0
95.08614	9.8
97.06514	2.5
97.10120	1.3
97.90797	1.2
99.08085	79.5
105.07004	4.2
107.04920	1.4
107.08553	4.9
109.06497	2.8
109.10133	3.9
113.05994	100.0
114.06332	1.1
117.07011	2.3
119.08537	5.2
121.10110	3.3
123.08067	2.9
123.11687	4.6
125.06004	1.4
127.07545	30.1
128.06126	1.1
130.05878	1.2
131.08533	3.7
133.10086	4.1
135.11702	2.6
137.09595	1.8
141.09090	1.4
145.10016	1.5
147.11723	2.9
149.09645	1.8
149.13251	2.3
159.11725	2.1
171.11810	1.4
173.13232	2.0
175.14799	3.8
184.01843	1.2
191.14241	1.6
193.15863	4.6
209.13239	2.6
229.19427	1.6
247.20723	1.5
265.17694	1.8
265.19806	2.1
265.21777	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2159
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03934	2.7
53.85760	1.6
55.05502	12.5
57.07059	3.1
67.05496	92.0
69.07059	10.4
70.35418	8.5
71.22408	1.5
78.63085	2.1
79.05486	19.0
80.77930	1.9
81.07048	100.0
83.08604	5.3
85.06535	3.1
91.05486	9.0
93.07032	25.3
95.04948	3.3
95.07990	3.8
95.08595	63.8
97.06523	3.1
97.10157	4.0
99.08067	1.7
105.07010	5.2
107.08572	17.8
109.06516	2.5
109.10141	41.8
114.86280	1.7
117.07039	2.5
119.08578	4.8
121.10124	11.1
123.08082	1.9
123.11689	25.8
131.08533	4.8
133.10088	4.3
135.11664	13.1
135.26332	1.8
137.13222	5.0
141.09073	2.0
145.10080	6.0
147.11626	2.9
149.09612	3.8
149.13264	6.4
151.11185	3.1
159.11690	6.6
163.11258	3.5
173.13280	4.1
177.12766	4.2
191.11510	1.7
191.17943	3.6
205.19579	2.2
215.17952	9.7
233.19032	8.4
234.69992	1.8
265.21606	18.8
265.24921	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1793
Annotation	Dehydrojuvabione
Peak:m/z	Relative Intensity
53.03939	11.8
55.01863	15.4
55.05503	24.4
57.03422	3.0
65.03925	2.7
67.05493	34.6
69.03423	3.8
69.07059	100.0
71.04974	6.0
71.74760	4.3
71.75134	2.5
72.08160	2.3
72.25773	1.9
73.06552	3.1
79.05473	35.4
81.03400	24.3
81.07051	29.3
83.04970	10.5
83.08610	12.5
85.06524	15.1
91.05462	27.3
93.07036	33.0
95.01323	4.3
95.04950	25.6
95.08593	12.7
97.02832	2.4
97.06516	28.2
99.04423	2.2
105.07001	17.4
107.04924	23.0
107.08589	27.6
109.06491	8.3
109.10126	7.3
111.08097	4.1
115.05461	2.7
117.07029	16.9
119.08557	8.8
121.06470	7.3
121.10122	23.2
123.08006	5.2
125.05997	8.2
129.07007	5.2
131.08542	32.5
131.09447	3.4
133.06483	9.1
133.10117	11.4
135.08047	18.5
135.11714	4.1
137.09612	5.6
143.06949	3.0
143.08499	3.4
145.10123	15.2
147.08008	4.4
147.11668	2.9
149.09595	48.2
151.11186	8.5
153.00478	5.2
157.10162	3.7
158.03233	6.5
159.08047	9.8
159.11710	8.1
163.11179	2.8
165.09142	4.6
173.09563	2.7
173.13255	6.5
177.09068	16.6
187.11223	2.4
187.14742	2.9
191.10641	4.1
195.10071	7.6
195.11685	3.5
201.16275	5.6
209.13223	2.8
219.17357	3.6
229.15828	5.9
247.16858	11.7
265.15549	4.4
265.17908	38.3
277.14191	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.0
57.03419	1.3
57.07064	4.9
65.03922	1.1
67.05496	10.5
69.07053	5.3
71.74889	1.2
71.75266	1.1
79.05483	7.7
81.07050	11.6
83.08605	2.9
85.06537	3.4
88.91395	0.8
91.05475	10.4
93.07038	9.7
95.04958	1.6
95.08588	10.8
97.06476	1.8
103.05486	0.9
105.07018	19.3
107.04970	1.0
107.08576	10.7
109.06521	1.3
109.10149	4.7
111.08006	0.9
116.06232	0.9
117.06997	5.3
118.83598	0.7
119.08562	22.5
121.10135	7.9
122.07159	1.1
123.08070	1.1
123.11667	1.2
125.05960	2.0
128.05347	0.9
128.06172	4.6
129.06979	3.9
130.07784	2.1
131.08549	11.0
133.10129	9.6
135.11641	2.5
141.06993	1.7
142.07758	6.3
143.08548	17.3
144.09302	1.6
145.10101	13.3
147.08110	1.4
147.11630	3.9
149.05980	0.9
149.09615	3.4
151.11078	0.8
153.06889	0.8
155.08473	4.0
156.09332	5.1
157.10121	18.1
158.10789	1.0
159.11681	9.2
160.12433	1.6
165.06940	4.5
166.07806	2.9
167.08496	4.0
168.09332	2.6
169.10086	6.2
170.10895	1.0
171.11671	13.1
173.13232	7.0
177.12756	1.7
178.07742	1.0
179.08559	11.8
180.09364	6.1
181.10115	11.7
182.10849	1.5
183.11684	5.5
185.13272	5.0
192.09412	1.8
193.10097	8.9
194.10893	10.7
195.11684	16.9
196.12425	2.7
197.13286	3.2
201.16418	1.2
206.10916	1.1
207.11693	6.5
208.12425	7.7
209.07947	1.1
209.13226	30.2
210.13943	2.1
211.14864	0.8
221.13268	4.6
222.14005	3.5
223.13113	0.9
223.14816	21.0
224.15614	1.2
225.78154	0.7
226.41998	0.7
235.14751	6.6
236.15665	2.5
237.16403	3.9
250.17264	3.5
265.14499	3.6
265.19537	100.0
266.19904	1.7
273.73538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1794
Annotation	Speciosin K
Peak:m/z	Relative Intensity
53.03933	8.9
55.01849	14.5
55.05508	50.4
55.69816	4.7
57.03414	13.7
57.07056	6.7
59.41911	4.4
65.03915	4.8
65.38560	4.4
67.05492	70.5
69.03409	15.3
69.07059	78.1
71.04971	16.3
71.75337	7.9
79.05481	100.0
81.03393	21.0
81.07041	95.3
83.04958	9.8
83.08604	43.2
85.06521	21.9
91.05463	67.7
93.06499	6.1
93.07027	64.9
95.04959	33.5
95.08588	64.8
97.06507	24.0
99.08099	5.5
101.06006	7.6
105.07022	51.8
107.04932	18.2
107.08570	64.3
109.06480	40.9
109.10128	32.5
111.08073	23.8
115.05338	5.4
117.07003	22.0
119.08553	47.0
121.06464	14.9
121.10143	25.8
122.07114	7.2
123.08006	22.9
125.05958	6.2
125.09615	6.5
129.06992	15.4
131.08534	43.4
133.10120	33.3
135.08026	24.9
135.11655	14.6
137.05913	5.7
137.09583	24.5
143.06996	21.7
143.08490	9.5
145.06430	5.0
145.10072	55.2
147.08008	12.5
147.11674	10.6
149.09602	39.4
153.62877	4.5
157.10107	15.4
159.11684	19.5
161.08128	8.3
161.09538	7.1
163.11147	24.6
169.10124	7.9
173.09610	7.4
173.13232	20.9
175.09653	11.7
175.11145	15.4
177.09081	8.3
183.11681	8.5
185.13255	6.2
187.11113	10.1
187.14812	7.7
191.14230	18.1
193.10205	5.2
193.12173	9.1
195.10097	6.7
201.12648	8.2
201.16347	30.3
208.13068	5.6
211.14754	17.1
219.17439	16.2
229.15842	37.8
247.13165	7.9
247.16916	74.6
265.14404	12.6
265.17975	62.1
265.25232	6.8
270.77884	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1795
Annotation	Methyl atlantonate
Peak:m/z	Relative Intensity
53.03936	14.6
55.01859	14.1
55.05503	28.9
55.07582	2.0
56.96559	20.8
57.03428	4.8
57.07055	4.6
65.03926	3.1
67.05497	41.5
69.03406	4.2
69.07060	87.5
71.04971	8.9
71.74252	2.8
72.79292	2.4
79.05485	47.7
81.02933	2.8
81.03409	39.1
81.07047	44.0
83.04966	14.2
83.08601	19.2
85.02890	3.7
85.06521	3.9
91.05466	38.5
93.07035	48.8
95.04392	2.9
95.04956	32.8
95.08602	22.6
97.02902	3.2
97.06029	2.3
97.06528	27.6
98.70773	2.3
98.97566	2.3
99.04456	3.2
99.08028	3.2
105.07007	23.7
107.04926	27.3
107.08582	39.0
109.06515	18.3
109.10138	10.9
111.04443	4.6
111.08053	7.1
112.90708	2.4
115.05432	3.0
115.07568	2.5
116.06263	2.4
116.98576	4.1
117.07010	23.0
119.08560	18.9
121.06512	10.4
121.10127	26.3
122.07121	3.9
123.08049	10.0
123.11661	5.9
125.06029	2.6
125.09580	5.5
129.06949	4.2
131.04915	2.8
131.08543	33.3
133.06462	11.0
133.10115	15.5
135.04373	3.6
135.08055	40.0
135.11670	8.3
137.09584	7.9
137.13213	2.9
139.03883	4.7
143.00101	2.6
143.08511	3.3
145.06447	6.5
145.10112	22.3
147.08038	5.9
147.11626	4.5
149.08453	4.2
149.09601	57.6
149.10802	3.2
149.13283	2.8
151.11142	8.4
155.08571	2.3
159.08034	16.3
159.11691	10.3
161.01129	2.4
161.09583	2.8
163.03877	10.1
163.07507	5.2
163.11148	10.7
163.14798	2.7
165.09090	3.8
167.10727	3.2
170.99545	3.0
171.11653	2.5
173.02295	4.9
173.09598	5.4
173.13219	5.5
176.04120	7.2
177.09052	11.6
179.10634	3.7
183.11633	2.8
186.52855	2.3
187.11205	5.2
187.14899	3.8
189.00656	7.1
191.06996	2.5
191.10555	3.2
191.14217	3.3
193.12029	2.2
195.10144	2.7
201.12814	2.2
201.16405	8.5
205.12221	4.6
211.14912	3.1
213.00685	5.5
215.07068	6.1
219.17407	9.1
229.12195	5.4
229.15764	12.7
231.01682	6.4
236.05141	4.5
237.00854	2.5
245.05554	4.5
247.16946	33.4
249.02872	5.7
259.09604	17.0
265.12033	3.7
265.14722	5.2
265.17947	100.0
265.25125	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1795
Annotation	Speciosin K
Peak:m/z	Relative Intensity
52.38424	3.5
53.03930	10.7
55.01871	33.0
55.05502	33.2
56.96558	7.3
57.03415	5.3
57.07058	5.2
60.90070	3.9
65.03937	3.9
67.05495	67.9
69.03416	7.9
69.07061	53.4
69.66493	20.9
71.04971	10.0
73.06526	4.0
79.05479	80.3
81.03404	20.2
81.07046	90.9
83.04967	14.0
83.08604	27.6
91.05468	57.0
93.07035	63.7
95.04967	35.5
95.08598	53.9
97.02897	4.5
97.06528	44.1
98.20728	7.6
99.08076	7.5
105.07026	41.3
107.04947	25.9
107.08578	64.4
109.06505	21.0
109.10154	19.1
111.04410	7.3
111.08076	9.8
117.06358	3.6
117.07023	35.6
119.08568	30.2
121.06462	12.8
121.10141	23.8
123.08059	20.9
123.11652	4.8
125.09605	8.3
129.06998	6.8
129.08842	3.6
131.08566	37.8
133.10107	40.0
135.08038	58.8
135.11647	7.4
137.09596	19.0
141.06970	5.1
143.07027	14.2
143.08572	10.4
145.06464	11.4
145.10101	42.7
147.08047	7.9
147.11649	9.7
149.09605	73.3
151.07512	3.8
151.11154	12.9
153.09084	8.0
157.10168	4.8
159.07994	8.7
159.11690	17.2
161.09593	9.0
163.07458	4.7
163.11182	18.5
165.09163	7.8
169.10085	10.9
171.11609	4.2
173.09587	8.0
173.13211	6.6
177.09158	5.6
177.16338	4.2
183.11578	4.4
185.13208	8.0
187.11209	15.4
187.14835	8.1
191.14229	4.4
201.12820	4.0
201.16371	34.2
205.15855	6.9
211.14824	14.0
219.17436	25.7
229.15839	45.8
236.05347	4.1
237.18469	6.3
247.16920	95.0
265.15164	7.4
265.17953	100.0
280.56848	3.3
285.59305	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1795
Annotation	Speciosin K
Peak:m/z	Relative Intensity
53.03935	9.5
55.01868	31.3
55.05504	36.3
56.96546	4.1
57.03419	8.5
57.07064	5.9
57.25175	3.8
59.04948	4.7
65.43565	3.2
67.05499	67.6
69.03433	6.4
69.07056	56.8
70.56004	12.9
71.04963	8.3
77.49893	3.0
79.05028	4.2
79.05481	76.1
81.03393	15.6
81.07048	99.1
83.04958	14.8
83.08621	37.1
85.06518	3.7
91.05474	55.6
93.06488	6.6
93.07028	74.9
95.04963	34.3
95.08595	59.2
97.02875	5.4
97.06521	35.9
99.08094	8.1
105.07013	44.2
107.04953	35.5
107.08580	55.3
109.06504	28.6
109.10150	22.3
111.04427	6.5
111.08074	9.7
117.07016	25.7
119.08543	37.3
121.06489	19.1
121.10130	32.8
122.07109	3.5
123.08056	28.5
123.11670	10.0
125.09595	9.8
128.06104	3.3
129.06982	8.2
131.08548	42.6
133.06467	6.9
133.10106	22.4
135.08047	56.1
135.11678	13.9
137.09593	19.8
141.06979	6.6
143.07008	6.9
143.08571	8.3
145.06459	10.1
145.10100	37.2
147.08002	5.6
147.11685	7.7
149.09612	72.3
149.13220	4.2
151.07520	3.6
151.11154	8.6
153.09102	10.1
155.08546	3.7
158.07310	3.4
159.07999	8.0
159.11668	22.7
161.09587	7.6
163.07619	7.5
163.11160	23.0
165.09076	10.3
169.10100	10.8
173.09627	7.3
173.13289	6.6
176.04037	3.8
177.09113	7.0
177.16331	3.6
179.10626	5.7
179.16290	3.9
181.08626	4.9
185.13243	4.8
187.11116	17.9
187.14809	9.4
191.10732	3.2
201.16383	27.9
203.14168	3.3
205.15926	4.3
211.14862	13.1
219.17441	25.4
229.15860	43.2
237.18353	5.0
247.16901	98.2
265.12021	4.9
265.17889	100.0
265.24808	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1796
Annotation	Speciosin K
Peak:m/z	Relative Intensity
51.34156	1.4
53.03940	3.4
55.01853	3.5
55.05505	14.4
57.07064	3.3
59.05006	1.4
60.67117	1.6
65.03941	2.4
67.05500	29.2
69.07062	39.8
73.06531	5.2
79.05489	64.8
81.03396	5.2
81.07050	26.7
83.04980	3.7
83.08604	2.7
85.06557	8.7
91.05478	26.5
93.07036	47.7
95.04972	7.3
95.08602	25.5
97.06522	14.4
105.07027	18.3
107.04947	24.6
107.08582	33.3
109.06522	2.6
109.10152	11.0
111.04406	2.0
111.08116	3.6
113.06024	1.8
115.07541	3.4
115.96181	1.5
117.07024	13.8
119.08582	20.8
121.06541	2.2
121.10135	13.3
123.08042	3.9
123.11691	6.6
125.05982	6.2
125.09597	2.2
128.06268	1.6
129.06987	4.9
131.07635	2.7
131.08560	35.5
133.10124	25.7
135.08054	5.0
135.11679	6.3
137.09581	1.6
142.07721	2.0
143.07033	33.2
143.08533	3.5
145.10130	20.2
147.08035	4.8
147.11665	4.0
149.09608	100.0
157.10133	6.2
159.11691	19.4
161.08078	7.6
161.09508	2.5
161.13274	2.7
169.10085	2.8
171.11717	2.0
173.09607	1.9
173.13249	13.8
177.09151	2.7
177.12711	1.8
185.13254	5.9
187.11140	4.7
191.10684	2.4
191.14352	3.6
201.16368	52.0
209.13266	1.8
211.14810	3.3
219.17407	3.2
229.12117	2.0
229.15854	15.7
233.15224	2.0
247.16910	14.9
256.26242	1.5
265.15717	2.4
265.17868	12.0
265.21759	3.5
265.25198	2.2
284.82278	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1795
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
53.03927	3.2
55.01865	10.2
55.05501	19.6
57.03421	3.1
57.07048	5.5
59.04961	2.0
62.33086	1.4
65.03909	3.1
67.05144	2.6
67.05494	50.4
69.03410	5.7
69.07061	52.5
69.68287	7.0
69.68716	6.2
71.04993	8.7
79.05482	40.3
81.03383	4.2
81.07043	57.8
83.04967	14.4
83.08582	4.0
85.06528	10.9
86.03988	1.5
91.04919	2.6
91.05466	40.9
93.07034	42.4
95.04386	2.3
95.04948	21.2
95.07998	2.2
95.08591	35.2
97.06520	12.6
99.04428	2.1
99.08071	2.4
105.07014	45.3
107.04940	18.5
107.08578	28.1
109.06494	16.8
109.10151	15.6
111.08060	3.8
115.05408	3.1
117.07005	17.4
119.04912	2.2
119.08573	27.7
119.71270	1.5
121.06494	12.1
121.10128	23.4
123.08047	9.9
123.11668	6.1
125.09599	1.9
129.06953	5.6
130.07712	3.1
131.07654	2.8
131.08548	32.4
133.06427	4.3
133.09181	2.2
133.10109	29.3
135.08080	10.7
135.11671	14.9
137.09543	6.1
143.08513	7.5
145.06430	6.7
145.10103	38.9
147.08006	6.6
147.11668	12.2
149.08487	2.2
149.09601	29.0
149.13220	3.1
151.11183	17.2
154.07539	1.6
155.08551	2.2
157.10068	2.8
159.07967	2.9
159.11687	16.2
161.09532	6.5
161.13136	4.2
163.11159	44.2
169.10085	5.5
171.11636	2.0
173.09663	7.9
173.13190	5.7
175.11234	2.3
175.14732	2.1
177.09099	3.0
177.12683	6.9
177.16309	4.9
178.85901	1.5
179.10622	13.4
181.12006	2.0
183.11665	1.9
185.13206	4.7
187.11162	5.7
187.14745	7.1
189.09238	1.6
189.12741	3.5
191.10699	11.3
195.11655	2.5
197.09279	2.0
201.16386	22.7
203.14398	2.2
205.12221	4.7
207.13754	2.2
209.11691	7.7
211.14751	6.2
219.17433	35.6
221.15286	1.8
229.15845	20.3
246.36816	1.9
247.16914	65.0
265.17911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1796
Annotation	5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone
Peak:m/z	Relative Intensity
53.03935	4.7
55.01863	11.6
55.05505	20.5
57.03430	5.3
57.07070	3.4
59.04972	2.7
65.03932	3.4
67.05499	44.3
69.03417	7.0
69.07060	18.7
71.04996	5.5
71.74469	2.9
73.96959	2.0
79.05021	2.6
79.05485	48.5
81.03391	10.7
81.07046	100.0
83.04979	11.0
83.08591	10.1
85.06532	13.5
91.05466	36.8
93.07035	37.7
95.04961	16.9
95.08598	47.9
97.06525	7.7
99.08080	3.3
105.07023	25.9
107.04957	11.0
107.08588	26.4
109.06509	21.9
109.10147	18.3
111.08054	6.9
117.07027	14.8
119.04984	2.1
119.08582	26.1
121.06503	9.1
121.10150	13.9
122.07161	4.4
123.04456	3.2
123.08060	27.8
123.11702	5.0
125.05958	3.5
125.09598	3.9
129.06953	4.3
131.08557	15.7
133.06453	3.9
133.10094	10.2
135.04375	2.7
135.08049	18.6
135.11708	6.2
137.09602	17.4
141.06940	2.8
143.08553	4.2
145.06496	5.7
145.10072	14.1
147.08064	4.5
147.11676	3.2
149.09616	21.3
151.07513	13.3
155.08571	3.2
157.10176	3.7
159.08084	2.8
159.11705	8.0
161.09607	3.7
163.07495	2.3
163.11212	7.5
165.09135	3.5
169.10074	3.9
173.09644	5.1
173.13249	4.3
175.11227	2.8
187.11177	4.3
187.14735	3.3
189.69757	2.4
198.67036	2.5
201.12822	3.7
201.16396	10.5
211.14824	5.8
219.17464	8.8
222.14276	2.2
229.12321	4.1
229.15862	10.4
247.16899	37.2
265.17874	43.4
271.73581	2.2
283.27032	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1795
Annotation	Speciosin K
Peak:m/z	Relative Intensity
53.03930	7.7
55.01868	17.6
55.05265	2.9
55.05507	33.9
56.96553	3.1
57.03419	5.4
57.07049	3.4
59.04997	2.2
65.03934	4.0
67.05495	51.2
69.03419	5.2
69.06724	3.3
69.07059	35.7
71.04973	8.4
71.25311	4.7
73.06544	3.4
73.20692	2.2
73.79015	2.1
79.05483	59.5
80.05833	2.5
81.03416	14.6
81.07042	100.0
83.04975	11.8
83.08595	13.9
85.06523	13.6
91.05466	43.2
93.06500	3.8
93.07034	54.2
95.04958	24.2
95.07996	3.6
95.08583	44.9
97.06521	18.5
99.08061	4.9
100.54601	2.9
101.06012	4.6
105.07016	29.0
107.04929	16.1
107.08580	44.8
109.06493	35.3
109.10140	23.5
110.09718	2.7
111.08035	9.8
115.05423	5.4
117.07001	18.8
119.08572	28.6
121.02889	11.8
121.06503	14.8
121.10101	20.0
122.07128	7.7
123.04419	5.3
123.08039	21.3
123.11718	3.3
125.05968	7.4
125.09628	6.0
129.07037	3.5
131.08539	26.4
133.06451	5.9
133.10114	18.9
135.08018	24.9
135.11650	7.8
137.05933	2.6
137.09587	26.2
138.12700	2.9
139.07547	3.6
143.07004	7.1
143.08528	8.8
145.06430	4.4
145.10117	22.0
147.08018	7.2
147.11650	6.0
149.09592	34.3
149.13278	2.7
151.07541	9.5
155.08540	3.8
157.10094	3.3
159.08011	4.9
159.11627	12.8
161.09605	5.5
163.07510	3.6
163.11142	11.1
165.09074	6.5
169.10092	5.7
173.09566	4.6
173.13254	7.5
175.11250	3.8
177.12695	3.3
179.10576	3.0
187.11182	5.9
187.14793	4.4
189.12923	2.7
191.10602	4.4
195.10025	3.0
201.16367	18.6
205.12167	2.5
205.15869	2.6
209.11626	3.1
211.14769	4.5
219.17386	16.2
229.12125	3.8
229.15831	20.4
240.78366	3.2
247.13191	6.0
247.16896	53.9
265.14481	4.7
265.17911	58.4
265.27219	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1544
Annotation	Val Phe
Peak:m/z	Relative Intensity
50.59360	0.4
51.39771	0.4
51.81965	0.4
51.98023	0.4
53.03936	0.7
55.05508	12.0
56.05037	0.8
57.03411	0.6
57.05814	0.6
57.43054	0.4
59.80268	0.5
60.56192	0.5
65.03936	0.6
67.05495	0.9
69.07046	1.0
70.06576	1.7
71.73838	0.6
72.08147	100.0
73.08475	0.8
79.05460	0.5
81.07053	1.4
84.08135	1.5
86.09694	1.5
87.09335	0.4
91.05489	1.3
93.07056	0.8
95.04926	0.5
95.08569	0.8
97.02854	0.5
103.05473	0.7
105.07038	0.9
107.04932	0.5
107.08562	0.8
119.08537	0.5
120.08086	12.4
122.07155	1.7
122.59864	0.4
129.10297	0.6
131.08595	0.8
136.06166	7.6
145.10155	0.7
149.05986	0.7
155.08678	0.5
166.08626	10.9
173.10960	0.4
173.13416	0.6
191.14658	0.5
229.12431	0.6
247.13692	0.5
265.15427	3.0
265.18027	0.5
266.08856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.37046	4.1
53.03920	7.4
55.05494	17.4
56.05027	5.9
57.03416	5.9
57.07064	5.1
65.03913	15.0
67.05495	36.9
69.03418	49.0
69.07042	17.1
70.06574	10.9
71.04973	10.9
71.74122	6.6
72.08128	6.3
79.05482	31.9
80.60693	4.5
81.07037	34.3
83.04962	10.8
83.08570	4.3
84.04482	4.8
84.08106	7.6
85.02895	5.2
86.09689	17.5
87.04454	5.8
91.05466	76.3
93.07028	57.3
95.04405	4.6
95.04958	54.7
95.08595	28.9
97.06495	11.7
97.10059	4.7
99.04430	13.3
103.05405	6.4
105.07006	89.4
107.08581	28.1
109.02881	5.0
109.06503	37.8
109.10119	16.1
111.04428	32.7
111.08036	15.6
113.05994	25.3
115.05451	10.6
116.06215	8.1
117.06989	24.0
119.04896	4.3
119.08565	99.7
120.08058	19.1
121.02839	13.4
121.06487	67.1
121.10090	21.1
122.07102	12.8
123.08070	41.4
125.05985	6.9
128.06226	9.4
129.06999	23.7
130.07727	6.1
131.08546	52.9
133.06465	11.3
133.10118	23.0
134.30640	4.1
135.08032	100.0
137.09579	17.5
139.03860	19.1
139.07489	10.3
141.06909	9.6
142.07712	16.2
143.08537	23.6
144.09312	11.4
145.06499	21.4
145.10097	41.2
146.07260	9.4
147.04300	6.3
147.08017	44.1
147.11652	17.5
148.08658	5.0
149.05930	10.2
149.09567	16.3
151.07574	6.0
153.09071	8.8
155.08565	7.6
155.10559	4.4
156.09326	10.0
157.06511	4.7
157.10097	30.8
158.07260	28.7
158.10883	8.5
159.08041	53.0
159.11682	40.1
161.09598	46.1
161.13242	5.9
163.07478	6.5
165.09077	45.4
168.09311	16.1
169.10147	6.9
171.08080	9.9
171.11638	12.4
172.08862	22.5
173.09575	27.6
173.13187	19.9
175.07515	88.9
175.11131	47.4
181.10019	4.5
183.11658	14.6
185.09573	11.7
186.10390	5.6
187.11183	41.3
189.09068	19.6
189.12665	14.3
191.10524	4.7
193.08583	30.9
196.08881	7.9
199.11115	21.9
201.12700	48.0
203.10649	58.3
205.12155	12.4
207.10104	5.1
211.11136	35.2
217.12170	36.3
219.13667	11.8
229.12149	32.4
235.13318	12.1
247.13208	57.7
265.14325	60.5
265.17319	5.7
265.18170	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	Cybrodic acid
Peak:m/z	Relative Intensity
53.03940	2.2
55.01857	4.4
55.05499	6.0
56.96537	2.0
57.03417	3.1
65.03925	2.0
67.05503	9.4
69.03407	3.3
69.07056	5.0
69.69731	5.2
69.70152	6.6
70.06573	2.3
71.04959	3.1
74.74431	1.5
79.05486	11.9
81.03398	5.3
81.06607	1.8
81.07047	18.4
83.04956	1.8
84.08121	2.4
85.06529	1.8
91.05470	17.6
93.07031	14.2
95.04952	6.6
95.08603	7.7
97.06496	4.8
98.21497	3.1
105.07021	21.9
107.04908	4.5
107.08561	5.8
109.06487	2.9
109.10126	2.6
111.04451	2.5
111.07998	1.9
115.05439	4.0
117.07002	9.5
117.51755	1.5
119.08582	12.9
121.02837	2.9
121.06502	4.6
121.10126	8.7
122.07157	2.5
128.06204	12.1
129.06993	15.1
130.07779	2.1
131.08569	21.1
133.06505	2.9
133.10114	11.6
134.41599	1.6
135.07994	1.9
135.11658	2.7
137.05940	2.9
137.09570	4.0
139.81522	1.4
141.06967	11.6
142.07747	16.1
143.08548	22.9
145.06474	5.8
145.10114	15.1
147.08017	4.4
149.09584	3.3
151.11130	2.5
153.06981	12.0
154.07750	5.3
155.08536	27.9
156.09258	2.1
157.10103	34.4
158.10617	2.2
159.08054	6.7
159.11662	9.2
161.05980	2.1
161.09604	2.9
163.11148	3.0
165.06960	2.6
166.07674	2.5
167.08524	5.2
168.09308	39.5
169.06444	1.8
169.10081	4.6
171.07990	1.7
172.08768	2.0
173.05933	2.1
173.09567	7.5
173.13286	8.4
175.07507	2.7
175.11137	5.2
177.05511	2.5
178.07794	2.7
181.10095	6.0
183.11674	100.0
184.11986	3.0
185.13263	7.5
187.07512	5.1
187.11124	3.6
191.10553	3.2
193.10063	9.1
196.08684	2.3
201.09036	1.8
201.12720	21.5
203.10622	5.0
205.12299	2.1
211.11128	15.2
219.10089	1.8
219.13774	2.4
219.17070	1.7
229.12210	25.2
236.05069	1.5
240.49286	2.5
247.13202	9.1
249.29794	1.8
265.14343	12.7
265.17694	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1431
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.44995	3.1
53.03940	7.9
55.01854	6.1
55.05503	22.4
56.96547	3.9
57.03422	3.7
63.98313	3.0
65.03930	9.0
67.05494	36.4
69.03421	41.5
69.07050	15.5
70.06606	3.9
70.72847	6.9
71.04964	10.5
72.08139	10.9
77.96326	3.6
79.05495	28.5
81.03419	9.1
81.07043	29.1
83.04974	8.9
83.08614	5.1
84.08144	4.7
85.02898	4.5
85.06530	3.0
91.05466	63.0
92.05762	3.6
93.03388	8.3
93.07024	51.6
94.16324	3.0
95.04950	52.1
95.08583	31.3
97.02885	6.1
97.06514	10.0
99.04445	6.6
103.05460	5.7
105.07014	90.3
107.04953	7.7
107.08557	29.6
109.02872	13.3
109.06500	36.9
109.10146	9.0
111.04419	33.6
111.08035	8.2
113.06010	17.6
115.05453	8.8
116.06233	9.0
117.06973	22.1
119.04959	4.6
119.08563	100.0
120.08080	4.0
121.02858	12.8
121.06496	56.2
121.10117	17.8
122.07146	7.6
123.08056	23.2
125.05979	6.0
128.06203	11.1
129.06966	19.9
130.07803	6.5
131.08551	47.3
133.06491	15.6
133.10110	21.0
135.08017	88.5
135.11690	5.9
136.08475	3.5
137.05980	6.5
137.08684	3.2
137.09563	16.6
139.03908	11.9
139.07533	7.9
141.06985	10.5
142.07768	11.2
143.08554	26.3
144.09312	8.9
145.06488	19.6
145.10104	40.7
147.08022	45.4
147.11635	19.2
149.05931	5.7
149.09586	19.2
151.07509	5.9
153.07008	6.8
153.09055	3.7
154.07730	5.9
155.08525	15.1
156.09381	6.9
157.06491	5.2
157.10095	24.9
158.07214	20.7
158.10867	4.0
159.08031	45.5
159.11673	46.8
160.08775	8.7
161.05914	6.0
161.09592	38.6
161.13211	6.6
163.07555	3.9
163.11171	7.0
165.09079	39.2
167.08623	4.5
168.06541	5.0
168.09329	9.8
169.10052	6.4
171.08031	13.5
171.11656	13.4
172.08812	27.5
173.09587	22.4
173.13229	28.6
175.07515	76.1
175.08911	5.9
175.11124	36.2
177.05467	7.0
177.09138	4.4
181.06447	4.2
183.11667	18.1
185.09543	8.1
186.10349	4.2
187.07564	4.4
187.11156	49.1
189.09145	9.7
189.12738	13.6
191.06989	5.9
193.08586	19.6
194.45496	3.4
196.08966	4.7
198.06514	3.7
199.11217	13.6
201.12723	46.7
203.10609	42.7
205.12241	11.6
211.11165	19.6
217.12198	28.9
219.13889	11.1
229.12219	37.8
235.13162	7.7
247.13252	47.7
265.14307	45.7
266.14084	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.6
57.07068	2.0
60.04519	100.0
67.05486	6.1
69.07056	8.9
69.59209	6.1
69.59640	7.6
79.05456	10.7
81.07046	38.2
83.08617	2.2
91.05441	3.2
93.07026	32.6
95.08585	15.1
97.10152	2.0
98.20707	3.8
105.07011	3.8
107.08577	13.9
109.10157	11.2
111.11743	1.6
119.08569	1.6
121.10132	97.6
122.10479	1.6
123.11698	4.8
133.10097	1.9
135.11681	10.7
135.43756	1.7
149.13243	20.8
156.03561	1.9
205.19501	37.8
205.21353	2.9
255.06976	1.7
264.23337	2.4
265.19745	2.1
282.25150	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03931	1.6
55.01862	2.3
55.05507	15.2
57.03426	1.6
57.07070	10.3
65.03935	2.3
67.05499	85.0
69.03409	0.8
69.07064	17.0
69.59422	5.8
69.59829	1.5
71.04975	1.8
71.08624	7.5
71.16990	0.7
76.31846	0.8
79.05480	25.1
81.07048	100.0
83.04978	1.9
83.08615	13.6
85.06509	3.1
85.10160	2.2
91.05473	18.7
93.07037	24.3
95.04940	2.4
95.08599	82.9
96.08887	0.8
96.82768	0.8
97.06523	8.8
97.10165	7.0
98.20620	1.8
99.08091	6.3
103.92664	0.8
105.07018	12.8
107.08585	14.8
109.06512	2.3
109.10149	41.3
111.08071	4.6
111.11684	1.2
113.09623	3.1
119.08559	12.4
121.10140	15.9
123.08047	2.2
123.11691	18.2
125.09549	1.3
127.11179	1.9
131.08559	1.0
133.10118	16.3
135.11682	9.2
135.51936	0.8
137.09613	2.7
137.13220	7.0
139.11118	1.4
141.12726	1.6
147.11662	10.0
149.13235	8.0
151.11195	2.1
151.14838	6.7
155.14249	1.1
161.13260	9.2
163.14792	7.5
165.12843	0.9
165.16386	9.8
169.15897	1.2
175.14812	6.4
177.16370	1.9
179.17924	3.8
181.15865	1.9
189.16391	2.3
203.17984	1.6
204.13307	1.1
207.08357	1.0
207.17363	0.9
217.19528	1.5
233.09953	1.1
245.22639	29.5
245.25125	1.5
246.11290	1.0
246.23033	1.3
247.11572	2.9
248.12384	1.4
263.08182	1.7
263.14618	16.9
263.23685	64.4
264.24057	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
54.28902	0.9
55.05504	13.3
57.03421	2.2
57.06834	1.0
57.07072	14.1
65.03918	2.6
67.05498	84.8
69.07063	16.0
71.04968	1.7
71.08628	6.6
71.66705	1.9
78.80325	0.9
79.05483	24.3
80.62872	0.9
81.07047	100.0
83.04974	1.9
83.08606	11.9
85.06554	4.5
85.10162	4.2
91.05466	19.1
93.07031	24.8
95.04936	2.3
95.08598	88.7
97.06506	8.9
97.10164	7.9
99.08081	6.8
99.74131	1.0
100.93259	0.9
105.07024	16.3
107.08579	17.8
109.06469	1.9
109.10150	49.1
110.02010	0.9
111.08080	6.5
113.09624	2.8
119.08556	11.8
121.10128	17.6
123.08065	4.2
123.11700	19.1
125.09619	1.2
127.11172	2.3
133.10123	15.8
135.11693	9.9
137.09567	2.1
137.13264	8.1
141.12747	2.1
147.11661	11.3
149.13240	9.9
151.11128	2.4
151.14809	8.3
155.14308	1.8
161.13239	13.8
163.14835	6.9
165.16402	11.0
167.14236	1.3
175.14815	7.9
177.16339	2.2
179.17967	3.0
181.15851	2.0
189.16380	3.8
203.17911	1.7
205.19513	1.2
245.22620	37.6
263.08054	2.1
263.17877	2.0
263.23682	62.8
266.57620	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03940	2.4
55.05504	14.9
57.03427	1.7
57.07071	12.9
59.76231	0.7
65.03935	1.7
67.05495	88.5
69.06683	0.9
69.07057	17.2
69.58762	2.6
69.59193	3.6
71.04977	1.8
71.08628	7.6
79.05482	22.1
81.07043	100.0
82.07398	1.1
83.04968	2.3
83.08604	14.5
83.09069	1.4
85.06529	5.1
85.10164	2.8
91.05469	16.6
93.07029	25.0
95.04962	2.9
95.08593	86.7
97.06520	8.1
97.10159	6.0
99.08079	5.6
103.59476	0.7
105.07011	13.4
107.08582	15.1
109.06509	1.8
109.10141	44.2
111.08060	5.8
111.11713	1.5
113.09661	4.0
117.06998	1.0
119.08566	12.0
121.10123	16.9
123.08035	2.2
123.11699	18.1
125.09627	1.7
127.11182	2.0
129.05075	0.8
133.10110	15.1
135.11685	9.6
137.09622	2.8
137.11403	0.7
137.13237	6.0
141.12715	1.4
145.10104	0.9
147.11673	9.1
149.13231	8.2
151.11168	1.5
151.14810	8.5
155.14326	1.8
157.10110	1.2
161.13235	9.7
163.14815	7.9
165.16368	9.1
167.14311	0.7
175.14825	7.5
177.16296	1.1
179.17964	4.3
189.16348	3.9
199.06583	0.7
203.17896	1.5
217.19548	1.4
245.22610	29.8
263.23663	64.8
264.23975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03942	1.3
55.01867	0.8
55.05506	12.2
57.03424	1.8
57.07067	11.8
59.02677	0.5
65.03934	1.9
66.29083	0.5
67.05497	79.4
69.07057	14.5
71.04984	1.5
71.08619	8.9
71.14028	1.2
71.55596	0.6
71.64304	0.6
79.05481	18.3
81.07047	100.0
83.04980	2.9
83.08610	15.0
84.82098	0.5
85.06540	3.2
85.10164	3.5
91.05467	17.7
93.07031	20.5
95.04958	1.7
95.08594	83.2
97.06516	7.1
97.10159	7.4
99.08063	6.3
99.89542	0.6
105.07018	12.0
107.08584	14.5
109.06525	1.3
109.10144	43.3
111.08073	5.3
111.11655	0.9
113.09632	2.5
119.08572	13.4
119.94546	0.5
121.10125	19.2
123.08080	2.4
123.11692	20.0
125.09609	1.6
127.11208	1.6
133.10118	17.2
135.11671	11.3
137.09625	2.8
137.13237	8.0
139.11134	0.9
141.12714	2.0
141.52393	0.6
147.11682	11.8
149.09613	0.6
149.13237	9.6
151.11220	1.6
151.14806	9.1
153.12672	0.7
155.14307	1.1
158.40173	0.7
161.11900	0.7
161.13234	11.7
163.14793	10.0
165.12794	0.8
165.15012	0.4
165.16364	11.7
167.14320	1.2
167.47360	0.6
175.14798	7.8
177.16272	1.1
179.14362	0.6
179.17885	3.8
181.15840	1.4
189.16327	5.2
193.15866	1.0
203.17918	1.8
205.19527	0.7
207.17381	0.7
217.19460	2.0
233.25917	0.5
245.22624	33.7
246.22989	0.8
263.08163	1.5
263.23682	72.9
264.24054	1.2
266.96707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.01844	6.6
55.05514	19.6
57.07065	18.8
58.04072	5.5
67.05492	83.3
69.07082	15.6
71.08639	7.8
71.15456	5.1
71.75739	6.0
79.05496	24.9
81.07047	100.0
83.04987	7.0
83.08595	11.8
85.06516	6.5
91.05457	29.0
93.07036	33.5
95.08597	97.5
99.72063	5.8
105.07044	25.3
106.07368	6.0
107.08601	20.1
109.10141	46.0
111.01112	5.7
119.08607	19.8
121.10149	19.7
123.11696	15.2
133.10144	17.3
135.11668	6.5
143.43759	5.3
147.11707	14.6
149.13242	12.4
161.13304	12.4
163.14842	10.8
175.14873	7.9
193.57886	5.8
245.22588	39.6
263.08154	8.8
263.23666	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2003
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
50.01773	5.6
55.05501	27.9
57.07067	4.8
60.04512	7.4
67.05492	50.7
68.53305	4.0
69.03414	6.7
69.07059	91.0
71.75600	7.0
79.05495	27.7
81.07045	69.7
81.76922	4.9
83.04962	8.9
83.08604	18.0
85.06506	5.1
87.63110	4.5
88.13537	4.2
91.05435	30.6
93.07036	47.7
95.04952	10.2
95.08595	100.0
97.06508	17.1
99.08054	6.8
105.07029	55.5
107.04974	5.9
107.08590	53.2
109.06503	51.6
109.10135	28.8
111.08044	12.3
111.11723	14.6
117.07015	5.9
119.08545	32.7
121.06463	6.0
121.10145	37.7
123.08057	89.4
123.11670	15.6
125.09624	9.0
128.06215	8.1
129.06972	7.4
131.08543	14.1
133.06500	15.6
133.10123	27.9
135.11671	49.9
137.09601	10.9
137.13248	5.4
139.11261	6.2
141.09082	28.4
142.07722	8.9
143.08495	8.4
145.10123	20.1
145.33110	4.4
147.07974	5.4
147.11676	29.5
149.09528	8.0
149.13235	13.5
151.07520	58.7
151.11153	7.2
157.10104	15.2
159.11664	10.0
161.13226	14.0
167.10640	12.7
171.11696	17.9
173.13277	5.8
175.11230	8.4
175.14755	7.8
181.12148	6.7
185.13261	13.0
187.14793	12.5
189.12711	7.0
193.12177	22.8
197.13133	4.6
205.15895	8.4
206.10875	4.6
207.11723	8.8
207.13763	5.7
212.15471	5.6
217.19519	8.6
220.12352	6.3
221.13383	6.4
227.17931	74.1
233.13269	5.5
245.19009	43.1
245.22675	7.5
263.05582	8.8
263.08185	20.3
263.17340	7.3
263.20114	85.3
263.23563	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2003
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
51.02377	3.1
53.03936	8.0
55.01870	10.4
55.05504	33.4
57.07068	6.6
59.04989	3.9
65.03934	6.0
67.05499	52.0
69.03425	70.7
69.07065	16.7
70.20392	10.4
71.04984	32.7
72.17917	2.0
72.85023	2.1
77.03922	8.7
79.01839	2.7
79.05489	84.0
80.05775	2.2
81.03419	4.0
81.07043	42.5
81.94154	2.0
83.04960	6.0
83.08604	8.2
85.02895	5.1
85.06530	7.0
87.04463	78.7
91.05476	100.0
92.28131	2.2
93.07037	75.8
94.39529	2.3
95.04955	16.7
95.08605	34.5
97.06508	13.0
97.10189	2.9
103.05479	5.2
105.03388	15.8
105.04474	2.8
105.07023	97.8
107.04951	9.3
107.08579	26.9
109.06519	4.3
109.10147	15.1
111.08067	2.7
113.94672	2.2
115.05459	4.7
117.07009	16.3
118.07755	2.2
119.04935	23.4
119.08575	37.0
121.06487	8.1
121.10153	16.9
123.04444	3.1
123.08069	6.0
123.11714	5.1
128.06209	6.0
129.06992	18.1
131.08571	13.8
133.06487	15.1
133.10098	17.1
135.08069	5.1
135.11682	9.3
137.05923	2.5
137.09590	2.5
143.08556	11.4
145.10060	4.8
145.47452	2.5
147.08057	27.5
147.11681	7.6
149.13199	2.7
151.11203	3.2
157.10149	6.3
159.11682	2.9
161.09618	25.1
161.13243	5.1
163.14832	3.5
165.09109	6.4
171.11710	2.4
175.11176	6.3
175.14848	9.8
177.16405	2.0
183.00981	2.2
189.12729	2.8
203.18004	3.9
217.19463	4.4
245.19002	53.4
245.21698	3.3
245.22624	2.9
247.37897	2.4
263.17203	4.3
263.20068	52.8
263.23602	10.8
281.92862	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2002
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
53.03951	6.5
55.01866	4.6
55.05503	30.9
55.55083	3.1
57.03405	4.2
57.07063	6.6
59.04979	6.3
67.05494	53.8
69.03420	3.1
69.07049	27.4
69.81870	3.1
69.82220	19.3
73.06521	2.8
79.05481	83.4
81.07043	61.8
81.07477	5.2
83.04974	2.7
83.08607	10.3
85.06532	10.5
91.05463	54.0
92.55965	2.7
93.07034	100.0
95.04942	9.8
95.08590	45.8
97.06516	6.7
99.08057	5.4
105.07019	41.8
107.08579	67.7
107.09331	3.7
109.06493	6.6
109.10140	23.2
115.05420	2.9
115.20060	2.8
117.06999	12.9
119.08561	47.5
121.10116	49.6
123.08040	5.9
123.11712	5.0
129.06996	5.9
131.08580	14.5
133.06546	3.1
133.10101	43.7
135.08073	9.0
135.11670	57.8
135.12648	5.2
137.09627	3.7
142.07898	3.1
143.08568	9.0
145.10107	9.6
147.08058	5.8
147.11649	41.5
149.09622	9.9
149.13223	14.2
151.11255	3.5
157.10118	8.8
159.11700	7.1
161.09630	7.3
161.13232	9.7
166.07704	3.2
171.11696	13.1
175.11154	7.5
185.13187	3.2
187.14793	7.0
189.12701	8.0
189.16338	29.4
203.14288	7.2
203.17964	9.2
213.16350	21.8
221.13266	3.7
231.17390	25.4
245.22453	6.0
263.05658	4.1
263.08286	9.7
263.17313	4.7
263.20078	68.7
268.06543	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1639
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
52.55834	2.1
53.03932	7.8
55.01866	23.9
55.05508	21.2
55.42159	1.9
57.03429	13.8
59.04985	3.8
62.68334	2.6
65.03931	5.5
67.05179	3.1
67.05501	43.1
69.03412	7.4
69.07063	47.5
69.58881	19.2
71.04969	10.2
73.06519	6.5
77.82014	2.0
79.05484	88.6
81.03390	7.5
81.07047	87.1
81.07529	4.2
83.04967	8.8
83.08600	11.5
85.02875	2.4
85.06524	8.0
91.05470	85.6
93.07035	62.7
95.04956	32.6
95.08595	24.7
97.06505	12.4
98.21439	5.0
101.05994	2.4
103.05491	5.5
105.03371	6.0
105.07019	54.4
107.04950	21.7
107.06455	2.6
107.08574	35.8
109.06520	34.2
109.10125	6.7
111.04422	4.2
111.08054	7.1
113.05971	3.2
115.05425	7.1
115.07561	2.9
116.06216	3.3
117.07009	41.3
119.04913	9.1
119.08566	85.0
121.06499	35.4
121.10143	14.4
123.04395	4.2
123.08058	10.5
123.11649	2.7
125.05959	10.3
128.06213	11.5
129.06984	39.2
130.07729	3.5
131.08549	35.7
132.05626	4.3
133.06456	12.2
133.10106	16.7
135.08031	35.1
135.11673	6.3
137.05992	5.2
137.09570	3.5
141.07008	4.2
142.07755	8.8
143.07034	18.1
143.08536	38.1
145.06479	3.2
145.10094	23.2
147.08031	76.5
147.11678	7.7
149.05951	3.4
149.09575	14.4
151.07521	2.3
154.07776	2.3
155.08554	5.4
157.10104	45.2
159.08058	8.0
159.11714	6.2
161.08180	5.7
161.09601	26.9
161.13295	3.5
163.07518	3.5
163.11221	3.1
165.09061	5.3
167.07176	2.4
167.08543	4.8
168.09317	3.4
169.10165	3.4
170.10887	4.0
171.08023	3.5
171.11655	19.1
173.09650	6.7
173.13257	3.5
175.11169	10.7
175.14777	3.8
177.09001	3.6
179.10579	3.0
181.10118	2.8
183.11644	6.7
185.09625	11.4
185.13266	6.5
187.11111	3.2
189.09038	4.6
189.12718	8.0
189.16394	3.1
191.10555	3.5
194.18808	2.3
195.10147	7.1
199.11247	3.1
199.14789	41.4
203.10628	6.2
203.14319	2.9
209.13261	6.8
217.15843	12.2
221.11655	17.8
221.15085	3.0
227.14241	14.7
245.11682	3.3
245.15349	32.1
263.16397	100.0
263.23959	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1388
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
55.05500	2.7
56.05839	0.8
58.99578	1.6
62.60976	0.4
69.07053	0.6
69.71920	2.3
70.06580	31.6
79.05489	1.0
81.07053	1.0
83.08618	0.9
84.08150	0.4
86.09691	0.9
86.99061	1.0
87.99353	0.6
91.05463	2.4
93.07036	2.9
95.04964	0.5
95.08605	0.7
97.06561	0.4
98.06002	0.4
103.05463	6.4
105.07047	1.0
107.08656	0.4
116.01664	2.6
116.07076	77.4
117.01982	0.9
119.08533	0.7
120.08086	100.0
121.08430	1.0
121.10133	0.4
136.07521	0.4
143.08572	0.4
144.01089	0.9
145.01466	0.9
147.08031	0.5
159.07976	0.5
162.02194	1.6
163.02469	1.3
178.08759	0.4
200.10709	0.4
227.10643	0.4
233.18347	0.4
242.89125	0.3
242.94502	0.3
245.12798	0.8
263.05026	0.4
263.13931	10.5
263.16660	0.9
263.23547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1275
Annotation	Shizukanolide F
Peak:m/z	Relative Intensity
53.03931	4.1
53.78765	1.7
55.01856	4.3
55.05497	5.0
56.13514	2.0
57.03420	2.9
59.04999	2.9
60.08165	2.4
65.03931	2.9
67.05481	12.2
69.03423	11.1
69.07050	7.3
69.63476	7.5
69.63898	10.6
70.06575	3.4
71.04971	3.3
74.94974	2.4
77.49009	2.3
79.05481	24.7
80.72780	2.5
81.03370	4.2
81.07046	12.3
83.04953	5.6
83.08619	2.9
85.02856	2.9
91.05466	33.2
93.07026	28.5
95.04955	15.9
95.08598	6.5
97.06511	10.8
103.05434	5.8
105.07018	33.8
107.04936	6.4
107.08578	42.8
109.06493	12.0
109.10157	3.8
111.08041	2.4
115.05428	10.6
117.07023	14.0
119.04920	3.6
119.08571	21.3
120.97824	2.2
121.06483	16.6
121.10120	12.4
123.08051	7.0
128.06203	22.7
129.06975	34.7
130.07748	6.8
131.04935	2.9
131.07634	3.7
131.08551	36.1
133.06467	6.8
133.10121	9.9
135.04448	2.6
135.08008	11.1
135.11595	2.4
137.05975	5.8
141.06938	16.4
142.07777	33.3
143.08551	39.2
144.09309	3.5
145.06476	15.2
145.10097	26.0
147.04382	4.0
147.08015	17.2
147.11662	7.2
148.08775	4.0
149.05919	6.2
149.09596	41.7
153.07077	3.8
154.07726	3.5
155.08527	17.1
156.09320	31.8
157.06499	11.3
157.10107	59.4
158.07214	5.7
158.10823	2.9
159.08075	10.9
159.11662	16.9
160.08778	6.9
161.06000	5.4
161.09558	9.2
161.13240	4.0
165.06970	10.2
166.07735	16.1
167.08630	3.8
168.09288	3.1
169.06465	5.1
169.10089	5.4
171.08052	16.1
171.11670	60.7
173.09573	24.1
173.13199	5.5
175.07542	16.0
175.11115	14.8
177.05470	4.1
177.09009	2.6
181.10110	24.9
183.08047	2.8
184.08841	12.8
185.09601	22.9
187.07550	3.3
189.05406	4.7
189.09061	8.9
189.12733	9.6
199.11156	93.4
199.13005	4.5
201.08916	4.5
201.12749	5.8
203.06923	3.7
203.10619	23.7
207.08267	3.4
209.09619	9.6
212.08369	2.7
217.08575	7.1
217.12231	38.9
219.10127	8.6
221.04526	2.6
227.10600	40.2
245.11693	100.0
245.15488	4.7
263.10150	1.9
263.12759	35.7
263.16370	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
55.05495	1.0
56.05029	0.7
56.96558	11.5
57.03431	1.7
57.07044	0.8
58.99854	1.2
59.04961	0.9
61.02906	1.8
63.41997	0.8
67.05464	0.9
69.03418	3.3
69.07064	1.6
69.55269	0.7
69.98595	0.7
70.06569	2.0
70.07906	2.3
70.08324	1.0
70.98103	1.6
71.04991	0.9
72.08147	1.6
73.02904	3.8
77.00889	2.9
79.05460	0.9
81.03405	2.2
82.99836	1.1
84.08154	1.7
85.02889	5.3
85.08475	0.7
86.09704	1.3
86.99336	1.0
87.04459	1.3
88.99160	0.9
91.03941	1.0
91.05483	0.8
95.01923	0.7
95.04939	0.9
95.08580	1.1
97.02876	4.5
98.21435	0.8
98.97563	5.2
100.61588	0.7
101.00861	13.0
109.02901	1.0
110.07174	1.3
110.97605	0.8
113.00861	2.4
115.00697	0.8
115.02422	1.9
116.98624	4.8
117.02199	0.8
119.01906	54.0
121.01669	1.5
126.74911	0.7
127.03864	1.5
129.10216	0.7
131.01892	22.0
133.01755	1.2
133.03471	4.0
134.99626	3.1
135.03163	1.1
136.06218	0.8
137.02939	10.0
139.02414	1.2
139.72108	0.7
142.03482	2.1
143.01881	31.0
145.01637	1.1
145.03445	5.9
146.04697	0.7
146.99625	1.3
147.04993	0.9
149.02948	5.1
154.03726	2.1
154.06511	0.8
155.01859	9.7
157.03456	9.4
158.99646	1.4
160.04515	0.9
160.06569	1.5
161.02945	100.0
162.03059	2.2
162.04198	1.6
163.02756	1.5
163.04430	2.8
167.01901	1.7
171.01385	1.1
173.02951	27.3
174.04462	1.2
175.04512	4.3
177.00725	1.8
179.04007	4.2
183.05026	1.1
184.04546	7.5
185.02930	8.2
188.97018	2.0
189.00696	1.5
189.02356	1.2
190.98654	1.3
191.02348	0.9
191.03975	18.7
193.00108	1.2
196.04459	1.0
197.02985	2.5
198.02612	0.9
201.00822	0.9
203.02173	1.7
203.03981	19.6
206.98170	0.9
214.05638	0.8
215.03958	1.5
217.00168	0.9
220.99536	0.7
221.01581	0.8
221.05035	8.1
232.99657	1.3
233.04987	2.7
239.06039	4.3
245.05069	2.7
255.61617	0.9
263.03433	2.1
263.06107	49.8
263.23721	0.9
264.06134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92334	0.5
57.55851	0.6
67.05499	0.9
71.72501	0.6
77.00885	1.6
81.03385	0.6
82.99840	1.1
85.02905	0.6
86.99320	0.7
95.01924	0.7
95.08560	0.8
97.02881	1.4
101.00867	8.4
103.00593	0.6
105.00342	0.8
113.00862	2.4
115.02409	0.6
116.98596	0.7
119.01911	36.7
120.02023	1.0
120.97929	0.7
121.01658	4.8
131.01892	15.7
133.03487	1.1
134.99736	0.7
136.99512	0.7
137.02965	9.1
139.02553	1.1
142.03477	1.3
143.01881	19.5
144.02016	0.6
145.03436	2.9
149.02985	3.7
155.01857	4.7
155.93010	0.6
157.03453	5.3
157.10127	0.7
159.96829	0.6
161.02950	62.6
162.02994	1.0
163.04498	0.7
165.20700	0.6
167.01865	0.8
173.02963	17.1
174.03336	0.6
175.04524	2.7
177.00948	3.6
178.01028	1.8
179.00694	17.3
179.03981	2.3
184.04532	4.1
185.02950	6.7
191.04012	13.7
197.02925	2.3
200.07779	0.7
203.00809	1.0
203.03976	11.2
214.05602	1.3
215.04004	1.8
219.02153	2.6
219.03897	2.5
220.02065	1.2
221.01770	22.8
221.04889	3.9
223.01749	0.8
227.00639	2.8
231.02280	0.9
233.05017	2.1
239.06277	2.9
239.98372	1.1
244.03471	0.9
245.01852	7.3
245.05103	1.1
258.02945	1.1
261.03073	1.1
263.02887	100.0
263.06094	40.8
264.02902	2.8
264.05869	0.7
268.03397	0.7
273.03098	0.7
282.03159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70824	19.1
61.54315	21.7
70.35004	78.1
91.10057	21.6
95.96763	23.3
107.76739	20.1
119.01875	31.1
132.35451	19.6
138.00499	17.9
161.02963	31.8
216.46228	22.4
263.01639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.1
57.03435	0.3
58.99852	1.3
68.98286	0.1
69.03410	0.4
70.62664	0.1
70.62993	0.2
70.99850	0.6
71.04971	0.1
77.00895	3.7
78.01012	0.1
81.03407	1.0
82.99871	0.7
85.02876	0.2
86.03645	0.1
86.99316	0.2
89.00882	1.4
94.99834	0.1
95.01925	1.2
97.01368	0.1
97.02864	0.2
97.21632	0.1
98.97549	0.1
100.00117	0.1
100.02474	0.2
101.00860	8.1
103.02432	0.2
105.00362	0.2
107.01954	0.3
109.01385	0.1
109.02863	1.0
111.68666	0.1
113.00826	0.5
115.02411	1.5
118.01135	0.1
118.03489	0.1
119.01897	21.8
120.01978	0.4
121.01620	0.2
124.02436	0.2
125.00847	0.1
127.02386	0.9
129.00349	0.1
129.03949	0.1
131.01877	2.0
133.03448	1.5
135.01369	0.7
137.02931	4.0
138.03059	0.1
139.02368	2.0
139.03389	0.1
141.00330	0.3
141.03925	0.1
142.03461	0.6
143.00215	0.1
143.01872	4.7
145.03433	6.8
145.16853	0.1
146.03429	0.1
147.01381	0.4
147.05019	0.1
149.02943	0.3
151.04492	0.1
153.02394	0.3
155.01874	0.4
156.02652	0.2
156.97449	0.4
157.03442	16.0
158.03552	0.3
159.01370	1.6
159.04973	0.2
160.04515	0.1
161.02930	13.3
162.03085	0.2
163.04497	1.3
167.01880	1.2
168.05006	0.2
169.03452	0.6
171.82034	0.1
173.02940	1.0
174.98512	0.4
175.04492	4.6
176.04622	0.1
176.96402	0.1
176.99408	0.3
177.02449	0.3
179.00708	0.3
179.04012	0.6
180.00658	0.1
180.05048	0.4
184.04568	0.6
185.02919	5.4
185.97000	0.1
185.99928	0.1
186.03241	0.1
187.04504	1.3
188.96446	0.1
191.02431	0.1
191.04008	0.4
197.02948	0.1
197.96985	0.2
198.98532	0.2
199.04495	0.1
199.99689	0.1
201.01158	0.1
203.03970	7.7
204.04283	0.1
208.04552	0.3
209.97044	0.2
210.97658	0.1
214.96498	0.9
215.96577	0.3
216.96275	1.3
216.99405	0.4
218.00790	0.1
221.01945	0.5
221.05025	10.4
221.97137	0.1
222.05238	0.2
226.05579	0.3
227.03992	0.2
230.97452	0.2
239.06079	8.6
239.98105	1.3
240.06294	0.1
240.97882	0.1
243.01990	0.1
244.06693	0.4
245.01854	0.2
245.05002	0.8
248.98380	0.2
249.48497	0.1
252.02625	0.1
256.97531	1.8
257.97357	0.6
258.97461	0.1
261.03241	0.1
262.07755	0.3
263.06067	100.0
264.06281	2.1
269.49542	0.1
280.97601	0.1
281.07144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1799
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
50.77555	0.4
56.91638	0.4
57.07073	2.0
57.07322	0.4
59.76048	0.4
60.63813	0.4
66.99442	0.4
70.06579	5.4
71.05826	0.4
71.08607	1.4
71.19116	0.7
71.19446	0.6
80.98409	0.4
82.51668	0.4
84.08127	0.6
84.09454	0.4
87.04456	31.8
88.07185	0.4
88.07632	4.6
102.09169	0.4
106.08620	0.8
114.09141	2.1
114.77953	0.4
118.06518	10.9
119.07304	0.7
120.08155	0.4
131.63321	0.4
132.08076	4.6
132.09006	0.4
132.09206	0.5
132.10181	7.1
133.08836	1.9
134.09622	0.6
146.09605	4.0
150.11247	5.9
160.11295	0.6
176.14323	76.2
177.14706	1.2
186.18512	0.6
190.45012	0.4
218.11626	0.4
218.21136	1.8
229.85081	0.4
241.25931	0.4
244.43864	0.4
251.79747	0.4
262.17996	100.0
262.23737	34.2
263.18295	1.9
267.10150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03938	6.3
53.71582	1.0
55.01867	48.7
55.05264	1.4
55.05505	17.5
56.99750	1.0
57.03431	10.9
57.07069	5.8
65.03928	6.9
67.05497	53.7
69.03407	3.1
69.07056	23.7
71.04968	3.2
71.08601	2.0
71.36667	1.6
78.04681	1.3
79.01868	1.1
79.05482	88.5
81.03381	3.2
81.07048	56.8
83.04989	2.4
83.08601	11.3
85.06521	5.7
90.09827	0.9
91.05469	71.8
92.06248	1.3
93.07033	98.3
94.07343	1.0
95.04947	14.1
95.08592	41.9
97.06509	5.0
97.10155	3.4
99.08076	3.8
103.05417	1.7
105.03380	2.3
105.04500	3.3
105.07009	30.7
107.04953	8.3
107.08578	61.9
108.02020	1.0
109.06486	5.1
109.10145	16.6
110.26679	0.9
111.08063	3.7
115.05439	15.1
116.06236	2.3
117.07008	14.8
119.08568	21.5
120.05709	1.8
121.06509	2.2
121.10129	48.7
123.04369	1.4
123.08024	2.0
123.11662	4.7
125.09623	1.7
128.06187	2.2
129.06989	3.4
130.07753	2.0
131.08548	24.0
133.10115	15.5
134.03587	1.9
135.04398	1.4
135.08040	41.4
135.11673	37.5
137.09615	2.1
137.13231	1.8
139.11153	1.3
141.06992	1.0
142.07784	1.3
143.08531	2.4
145.06456	1.8
145.10098	21.0
147.08047	1.3
147.11676	12.9
149.09592	1.8
149.13246	29.7
151.11195	1.4
151.14786	1.1
155.08478	1.4
157.10118	2.6
159.08075	1.4
159.11682	14.1
161.13245	15.1
163.07527	66.2
163.11205	1.8
163.14804	19.8
164.07886	1.1
165.12758	1.4
171.11659	1.4
173.09535	1.9
173.13248	12.2
175.14806	5.7
177.09138	1.2
177.12593	1.3
177.16373	6.7
187.14784	8.9
192.37367	1.0
201.16365	3.7
203.17767	1.1
205.05000	1.7
215.17935	1.8
225.97415	1.0
233.04436	1.2
243.21049	33.8
261.03928	4.0
261.18677	5.4
261.22113	100.0
262.14340	4.5
262.22552	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55359	0.9
53.03932	3.3
55.05271	1.1
55.05509	15.6
56.72307	0.9
57.03424	0.9
57.07067	5.5
59.02760	0.8
65.03917	1.9
67.05499	47.5
69.07066	13.8
70.54787	0.8
70.79640	2.9
71.04981	2.8
71.08611	2.0
77.03902	0.9
79.05486	64.2
80.86562	0.9
81.07049	57.3
83.08614	8.4
85.06514	3.3
91.05474	33.5
93.07036	79.9
94.07343	1.1
95.04958	5.2
95.07991	1.8
95.08599	36.1
97.06547	4.2
97.10152	3.3
99.08080	3.7
103.05463	1.1
105.04528	1.3
105.07019	23.8
107.08584	52.9
109.06484	2.7
109.10148	17.2
111.08055	2.6
113.09592	1.0
116.06210	1.1
117.07001	9.2
117.24368	0.9
119.08581	16.2
119.64069	1.0
121.10136	46.2
123.08018	1.7
123.11691	4.9
129.06955	1.1
131.08560	18.3
133.10115	17.1
135.08112	1.1
135.11684	38.2
137.09558	2.3
137.13269	1.4
139.11113	1.2
145.10130	16.1
147.11676	12.5
149.13237	27.3
149.14436	1.5
151.11134	1.8
151.14818	1.1
159.11694	12.4
161.13237	12.9
163.14812	19.6
173.13243	10.6
175.14812	5.8
177.16309	5.6
187.14816	8.3
189.16409	1.0
201.16333	3.7
215.05731	0.9
215.17905	2.2
217.19614	0.9
219.17360	1.4
233.22667	1.7
243.21051	31.6
261.03955	3.9
261.07446	1.2
261.22122	100.0
262.14456	1.5
262.22482	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03932	2.8
55.01861	1.2
55.05504	14.4
57.03426	1.5
57.07072	3.3
65.03933	1.4
67.05498	47.3
69.07060	13.1
71.04989	2.8
71.08633	1.1
77.03918	1.1
79.05483	62.0
81.07047	55.6
83.04976	1.1
83.08602	8.1
85.06535	4.4
85.10185	1.2
91.05469	28.7
92.93320	0.5
93.07035	81.9
94.07368	1.0
95.04950	4.8
95.08598	38.8
96.08931	0.6
97.06518	4.1
97.10157	3.0
99.08090	4.2
105.04510	1.2
105.07019	20.3
107.08582	50.8
109.06519	2.5
109.10140	15.6
109.10861	0.9
111.08053	3.9
113.09629	1.3
117.06995	6.3
119.08569	17.1
120.44913	0.5
121.06506	1.0
121.10134	45.1
122.10514	0.7
123.08063	2.2
123.11694	4.6
125.09634	1.0
128.76880	0.6
129.06978	1.0
131.08549	16.4
133.10123	14.7
133.11140	0.9
135.08044	0.7
135.11682	37.4
137.09624	1.7
137.13243	1.7
139.11220	1.1
145.10107	16.1
147.11661	11.0
149.09615	1.3
149.13242	28.6
149.74416	0.6
150.13615	0.6
151.11197	1.4
151.14822	1.1
153.12701	1.3
159.11703	11.7
159.12978	1.2
161.13232	13.7
163.11188	0.9
163.14803	20.8
165.12730	1.8
171.16650	0.6
173.13232	11.7
175.14838	4.7
177.16374	4.8
179.14291	1.2
187.14789	7.9
189.16370	1.0
191.14328	0.7
201.16304	3.7
203.17836	1.1
215.18007	1.9
219.17366	0.7
233.22667	2.0
243.21054	32.0
244.21378	1.3
261.03897	0.8
261.22113	100.0
261.48291	0.6
262.22470	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
55.01851	1.9
55.05502	14.7
55.25136	0.7
57.03425	1.6
57.07061	4.5
62.36950	0.7
63.81491	0.7
65.03918	2.4
67.05492	51.1
69.07059	15.3
69.75433	1.7
69.75854	2.9
71.04977	1.4
71.08624	1.8
77.03913	1.2
79.05479	62.7
80.05809	0.7
80.25513	0.6
81.07042	54.6
83.04982	0.9
83.08604	8.2
85.06525	3.8
85.61237	0.6
91.05461	32.4
93.07027	85.7
94.07369	0.9
95.04947	6.6
95.08586	39.1
97.06501	3.3
97.10160	2.5
98.20800	1.4
99.08044	3.2
103.05424	0.8
105.04490	0.9
105.07011	21.2
107.08572	54.5
109.06499	2.9
109.09393	1.1
109.10137	17.4
109.17375	0.6
111.08065	3.7
113.09618	1.2
117.06994	7.7
119.08559	17.8
121.06595	0.6
121.10120	45.1
122.10558	0.9
123.08044	1.7
123.11694	4.5
123.42242	0.7
125.09586	0.7
130.07730	0.7
131.08543	18.8
133.10098	14.9
135.08073	1.0
135.11667	38.6
137.09581	2.5
137.13210	2.4
139.11229	1.0
144.13254	0.6
145.10095	15.7
147.11661	12.3
149.09613	1.2
149.13232	27.0
151.11159	1.2
151.14886	0.7
153.12689	1.1
157.10185	0.7
159.11671	10.3
161.13232	12.8
163.14789	21.4
165.12769	1.5
171.11699	1.0
173.13237	11.0
175.14790	4.5
177.16382	5.3
179.14279	1.3
184.68221	0.7
187.14798	7.2
189.16299	0.7
201.16345	3.7
205.15800	1.3
215.17949	1.8
219.17499	1.3
233.22656	1.4
243.21040	28.2
244.21274	0.9
261.04010	0.9
261.22095	100.0
262.22385	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03932	2.2
55.01861	0.8
55.05502	13.4
57.03434	2.1
57.07061	3.5
65.03929	1.7
67.05494	45.3
68.05824	0.6
69.07056	12.9
71.04983	2.2
71.08619	1.1
71.74795	0.7
74.49542	0.4
74.79977	0.5
77.03898	0.5
79.05480	60.6
80.05810	1.1
81.07042	48.3
83.04969	1.3
83.08601	7.9
85.06519	3.3
91.05463	30.6
93.07029	76.1
94.07352	0.7
95.04956	5.3
95.08591	38.2
96.08926	0.4
97.06509	4.0
97.10168	2.9
98.10577	0.4
99.08070	4.3
100.40764	0.4
105.04474	0.9
105.07013	19.0
107.08575	49.9
108.08908	1.0
109.06509	3.1
109.10138	14.3
111.08079	2.7
111.11690	0.5
113.09629	1.3
117.06991	6.8
119.08560	14.8
121.10125	43.7
122.10451	0.6
123.08047	1.9
123.11682	5.0
125.09599	1.2
129.06961	0.6
130.07727	0.5
131.08546	15.1
133.10112	14.0
135.08061	0.8
135.11668	35.3
136.12067	0.5
137.09555	2.3
137.13252	1.4
139.11183	0.9
143.08609	0.6
143.99492	0.4
145.10092	15.2
146.10449	0.6
147.11665	11.7
149.09534	0.7
149.13235	30.3
150.13553	0.6
151.11157	1.1
151.14758	1.1
153.12627	0.6
159.11673	9.9
161.13240	11.0
162.13591	0.5
163.11177	0.6
163.14798	21.3
164.15160	0.7
165.12717	1.3
171.11668	0.5
173.13222	11.0
175.14806	5.1
177.16345	5.8
179.14240	2.0
187.14784	7.1
189.16357	1.0
191.14302	0.6
201.16347	2.9
205.15868	1.2
212.19667	0.4
215.17935	2.0
217.19261	0.7
219.17409	1.1
233.22609	1.3
243.21046	33.6
244.21303	1.0
261.22101	100.0
262.22369	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.7
55.05508	12.0
57.03408	1.6
57.07051	4.3
64.63840	1.0
65.03935	1.2
66.45646	0.9
67.05498	45.6
68.94069	1.0
69.07053	16.0
71.04979	2.9
71.08620	2.0
75.43574	1.1
77.03883	1.5
78.10665	1.1
79.05482	58.3
81.03400	1.6
81.07043	51.1
83.04958	1.8
83.08612	6.8
85.06520	3.6
91.05466	30.4
93.07030	77.1
94.07359	1.1
95.04939	4.2
95.08591	39.9
97.06501	3.3
97.10152	3.3
99.08068	4.5
103.05464	1.2
105.04485	1.3
105.07009	19.6
107.08582	49.4
107.09318	2.4
109.06493	2.9
109.10133	12.7
111.08061	3.6
113.09638	1.8
117.07007	7.7
119.08572	17.0
121.10126	42.6
123.08022	1.4
123.11662	4.7
125.09569	1.7
129.06976	1.5
131.08531	17.0
133.10115	14.1
135.11671	37.1
137.09567	2.0
137.13228	1.8
145.10112	17.5
147.11667	13.8
149.13235	28.5
150.13553	1.2
159.11691	11.3
161.13248	11.9
163.11087	1.1
163.14801	20.5
165.12762	1.6
173.09492	1.0
173.13280	11.0
175.14830	5.9
177.16360	5.9
179.14243	1.8
185.13150	1.0
187.14806	7.7
188.43016	1.0
201.16315	3.9
205.15854	1.0
215.17911	2.8
219.17558	1.2
233.22635	1.6
243.21054	35.2
261.03873	3.2
261.22110	100.0
262.14432	5.5
262.16763	1.0
262.22427	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.7
53.03945	10.3
55.01867	83.7
55.05507	20.8
56.02186	1.3
56.62083	1.3
57.03428	14.8
57.07068	8.3
65.03928	7.3
66.23619	1.4
67.05499	59.2
69.03426	6.7
69.07061	28.8
70.81553	2.1
70.81895	2.3
71.04977	3.3
71.08606	1.5
73.40336	1.3
77.03918	2.5
78.04691	3.0
79.01836	3.0
79.02824	1.4
79.05486	98.2
81.03393	3.3
81.07048	60.0
83.04979	2.7
83.08621	10.2
85.06533	6.5
91.05471	84.6
92.06264	2.5
93.07034	89.6
95.04948	17.7
95.08600	41.5
97.06514	6.2
97.10159	4.0
99.04422	2.0
99.08065	3.3
103.05441	1.6
105.03371	3.4
105.04486	3.4
105.07023	35.3
106.04152	2.2
107.04932	13.8
107.08582	56.0
109.06516	10.9
109.10145	17.4
111.08032	2.7
111.51989	1.4
115.05445	28.6
116.06218	3.6
117.06998	21.3
119.08562	23.2
120.05701	2.8
121.06489	4.5
121.10136	46.1
123.08080	1.8
123.11687	5.4
124.77827	1.4
128.06206	4.3
129.06963	6.3
130.07768	1.6
131.04877	1.7
131.08548	23.4
133.06476	2.3
133.10120	14.9
134.03598	3.4
135.04419	2.6
135.08038	67.7
135.10751	2.7
135.11687	36.0
137.09579	2.4
137.13249	2.2
141.06952	2.7
143.08514	2.0
145.06445	4.2
145.10110	20.9
146.84041	1.7
147.11682	13.6
149.09610	1.6
149.13240	25.3
155.06033	2.0
155.08496	1.4
157.10107	3.1
159.07982	2.4
159.11679	13.4
161.13199	13.1
163.07535	100.0
163.14809	18.6
173.09680	1.5
173.13240	11.8
175.14789	4.7
177.16394	5.1
179.14336	2.7
187.14830	7.2
191.14241	1.6
201.16365	2.9
205.15900	2.0
215.17984	2.5
233.04404	2.1
233.22821	1.3
243.21072	27.7
246.10999	1.4
261.03967	5.5
261.18570	9.4
261.22107	84.8
262.14343	3.3
262.22333	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.1
53.00303	1.7
53.03939	6.3
55.01866	52.6
55.05497	7.1
57.07064	1.8
63.02362	2.3
65.03933	14.1
67.05494	9.1
68.99783	2.1
69.03414	2.3
69.07063	12.4
70.22009	3.3
71.04969	3.1
77.03935	1.3
79.01832	2.7
79.05486	23.9
79.90453	0.8
81.03408	22.0
81.07040	7.6
83.04967	3.0
83.08614	2.9
85.06550	1.1
87.08138	1.1
89.03887	4.4
89.40414	1.1
91.05470	78.5
93.03369	1.6
93.07030	10.2
95.04952	11.4
95.08595	3.4
97.06513	2.3
103.05441	3.4
105.07017	9.8
107.01296	4.2
107.04942	18.8
107.08556	6.0
109.02853	3.4
109.06484	2.7
109.10113	1.0
110.59480	0.9
111.04414	1.1
115.05445	36.0
116.06255	5.0
117.07024	10.9
119.04905	2.0
119.08526	4.3
121.02853	1.6
121.06521	4.6
121.10152	2.0
128.06195	3.7
129.06981	4.7
131.08549	6.0
133.06473	3.4
133.10121	2.1
135.04398	76.9
135.08020	6.2
135.11684	1.6
137.05942	1.9
141.06992	2.2
142.07704	1.5
143.08551	2.0
144.05722	1.3
145.06444	4.7
145.10117	3.3
147.07939	1.1
153.05444	2.3
155.05997	1.0
155.08530	2.2
159.08054	1.5
159.11711	1.2
163.07524	100.0
168.09352	1.0
169.07776	1.1
173.09653	1.8
173.13307	1.4
176.07036	1.1
205.04961	1.2
213.18916	1.0
246.00792	0.9
261.03867	2.2
261.18503	12.2
262.14410	2.6
282.21964	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1847
Annotation	Nocarasin A
Peak:m/z	Relative Intensity
50.01588	2.0
51.02375	2.6
53.03941	13.4
55.01854	6.3
55.05507	15.1
57.03422	7.2
57.07056	8.1
65.03926	8.0
67.05496	25.1
68.99774	5.6
69.03431	10.4
69.07074	9.8
69.07387	1.8
70.58752	4.1
70.59138	3.9
71.04978	13.4
73.02896	6.8
77.03927	4.5
79.05483	76.0
81.03403	7.0
81.07052	17.8
83.04981	4.0
83.08578	2.9
85.02888	7.8
85.06536	2.0
85.10141	2.2
87.04475	13.2
91.05470	100.0
93.03479	2.1
93.06489	3.5
93.07026	38.1
95.04956	20.0
95.08609	14.0
97.06453	3.4
97.10149	2.2
103.05451	17.1
104.06166	3.6
105.04498	3.4
105.07018	44.8
107.04951	28.5
107.08577	16.2
109.02848	6.2
109.06522	5.3
109.10118	5.2
111.04424	11.9
113.05975	3.9
113.09621	2.2
115.05438	13.5
116.06219	5.2
117.07003	38.6
119.04905	4.8
119.08572	20.0
121.02815	2.8
121.06481	7.9
121.10123	7.9
122.00607	2.0
123.07991	2.5
128.06212	5.6
129.06993	17.8
130.07768	7.3
131.04903	5.8
131.08553	46.6
133.06488	8.2
133.10133	10.1
135.04391	22.3
135.08015	6.2
135.11646	7.4
135.12622	1.9
135.37852	1.9
137.05945	3.3
139.07555	2.3
141.06956	5.1
143.08540	9.4
144.05637	2.4
145.06454	10.8
145.10114	24.4
147.08002	4.4
147.11661	2.9
149.05986	4.9
149.09584	6.3
149.13255	4.9
155.00658	1.9
155.08525	4.5
157.10124	2.7
158.07242	3.0
159.08026	16.3
159.11673	6.4
161.09679	1.9
161.13191	3.9
163.07529	39.9
163.11145	2.0
163.14838	3.0
169.10153	3.8
171.11636	2.7
173.09595	8.4
173.13254	7.3
175.14832	5.1
177.09062	5.4
179.14252	5.0
183.11761	3.1
187.11229	2.3
187.14763	10.9
189.16376	3.3
201.12753	2.2
215.14305	3.3
215.17892	3.4
233.15265	3.8
233.18974	5.9
243.17406	12.4
243.21118	2.7
261.03906	3.2
261.15689	3.6
261.18469	58.8
261.22061	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24890	0.4
54.42665	0.4
56.96533	0.4
57.88472	0.3
70.56989	1.3
74.08566	0.3
83.69038	0.3
98.97570	1.6
101.00849	1.8
116.98622	1.7
119.01905	8.3
131.01808	0.3
134.99710	1.5
137.02917	2.4
142.03423	0.3
153.00964	0.4
158.99832	0.8
177.00941	16.2
177.02504	0.8
178.01068	0.7
179.00662	0.5
192.56859	0.3
201.00882	1.3
217.04109	2.6
218.03687	0.7
219.01984	22.5
220.02127	1.3
221.01805	3.1
225.00819	2.4
237.02992	0.4
237.98657	0.8
238.98361	0.3
242.03426	0.7
243.01941	8.2
261.03033	100.0
262.03171	4.7
279.00638	1.4
284.04660	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18774	2.6
55.05498	9.3
67.05480	10.3
69.07059	37.2
69.44039	13.2
69.44472	15.6
70.01702	2.8
71.04977	23.7
79.05469	8.3
81.07038	16.8
83.04989	6.5
83.08606	4.9
85.06534	19.9
91.05456	12.3
93.07040	14.5
95.04929	3.7
95.08604	20.7
97.06538	15.5
105.03367	9.9
105.07011	26.4
107.08603	17.6
109.06491	6.5
109.10169	13.6
111.08074	10.0
115.05408	3.6
116.12580	3.2
117.06990	10.7
119.08563	55.0
121.10104	11.1
123.11716	21.1
129.06981	5.0
131.08531	15.2
133.10115	34.1
135.08014	9.8
135.11639	6.3
142.07774	3.3
143.08513	3.9
144.09303	4.1
145.10127	31.8
147.11636	17.0
149.09583	3.8
155.08600	3.4
156.09329	3.3
157.10112	15.3
159.11697	28.2
161.02301	3.5
161.13240	30.4
163.03868	7.0
163.11206	4.0
170.10892	3.8
171.11659	16.1
173.02365	3.9
173.13208	10.9
175.11148	4.5
175.13383	5.2
175.14813	75.0
176.15642	3.2
177.16394	3.3
185.13290	16.4
189.12714	5.0
190.13461	3.7
199.14828	4.5
201.16382	23.1
203.14233	12.7
215.07089	6.4
215.17889	4.9
217.19449	5.1
241.19476	14.6
259.20538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05503	8.7
67.05497	10.4
69.07062	34.3
71.04662	2.1
71.04994	26.0
71.20451	3.1
71.20796	2.1
79.05470	6.9
81.07051	19.3
83.04967	3.5
83.08609	8.0
83.24164	1.4
85.06537	19.0
91.05474	9.9
93.07040	15.9
94.17373	1.4
95.04971	3.6
95.08595	20.1
97.06513	5.1
97.10174	1.7
103.05487	2.3
103.99888	1.5
105.07017	29.1
107.07980	2.1
107.08596	19.6
109.06493	7.2
109.10143	14.8
111.08050	10.8
117.07011	7.5
119.08569	47.5
121.10135	10.3
123.08096	2.9
123.11689	22.3
124.11950	1.9
129.06987	2.6
130.07802	3.1
131.08560	18.1
133.09151	2.7
133.10127	39.8
135.08058	10.4
135.08923	1.7
135.11667	6.2
137.09616	3.3
142.07735	2.7
143.08553	11.4
144.09286	3.1
145.10117	34.5
147.08069	2.4
147.11659	17.5
149.09579	3.5
149.13284	1.6
155.08673	1.5
156.09340	4.8
157.10104	11.7
158.10641	2.1
159.11682	32.3
160.12457	4.9
161.09578	2.8
161.13261	34.4
163.11148	4.1
165.12671	1.5
171.11691	14.3
173.13274	12.0
175.11238	5.1
175.14815	87.5
176.15509	5.7
177.12685	4.2
177.16382	5.1
185.13254	13.8
189.12772	5.1
189.16405	4.6
190.13570	4.5
191.14342	3.0
199.14825	5.5
201.16360	27.8
203.14287	11.3
215.17879	3.2
217.19585	4.7
236.27780	1.8
241.19487	16.4
259.20572	100.0
260.21130	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01860	1.9
55.05500	8.4
55.30205	0.8
57.07048	2.8
63.66230	1.0
65.03915	1.0
67.05501	9.1
69.03398	1.5
69.07063	31.1
71.04989	19.9
71.08583	1.1
71.79057	0.9
79.05494	7.0
81.07052	16.6
83.04977	5.5
83.08617	8.4
85.06537	20.3
91.05470	13.4
93.07038	12.1
95.04936	2.6
95.08605	18.3
97.06518	5.5
97.10122	1.7
99.08073	2.3
103.05461	1.2
104.53622	1.0
105.03387	5.5
105.07025	23.8
107.08585	19.3
109.06492	7.8
109.10143	15.3
111.08063	9.2
115.05389	1.5
117.07034	7.1
119.08574	51.0
120.09416	0.9
121.06480	1.1
121.10143	15.2
123.08082	1.6
123.11690	20.9
125.09543	0.9
128.06209	1.7
129.06978	2.1
130.07771	2.6
131.08548	13.1
133.10117	32.0
133.11131	1.5
135.04404	1.1
135.08040	12.3
135.11682	6.8
136.63297	0.8
137.09581	4.2
137.13258	0.9
141.07007	0.9
142.07736	2.7
143.08548	7.6
144.09268	1.9
145.10121	31.0
147.08017	1.3
147.11671	18.8
149.09596	3.8
149.13237	2.1
151.11105	2.0
155.13527	0.9
156.09309	3.6
157.10110	13.8
158.10854	1.8
159.11678	31.1
160.12456	3.0
161.02365	1.4
161.09569	2.6
161.13243	28.8
163.03857	2.3
163.11139	3.2
163.14764	1.1
170.10867	2.7
171.11696	13.7
173.02373	1.6
173.13272	10.1
175.11177	4.3
175.14813	81.9
176.15569	5.9
177.12773	5.4
177.16339	4.6
181.06445	1.5
185.13263	13.0
186.14008	1.3
187.14792	1.8
189.12762	5.6
189.16396	5.0
190.13443	1.6
191.14336	1.5
199.14761	4.7
201.16376	24.0
201.18159	1.9
203.14301	10.6
215.06998	1.7
215.17958	5.9
217.19466	5.1
229.54312	1.1
241.19504	19.3
259.05954	0.9
259.20557	100.0
260.20917	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.169
Annotation	Linalyl benzoate
Peak:m/z	Relative Intensity
53.03929	8.2
55.01870	32.7
55.05492	9.5
56.83467	2.0
57.03412	4.2
61.27805	2.3
61.73881	2.2
65.03904	2.3
67.05482	8.4
69.03394	3.8
69.07057	13.7
71.21679	6.6
79.05480	30.9
80.14497	2.4
81.03400	22.1
81.07032	6.9
83.08586	3.2
89.03861	2.7
91.05473	16.5
93.07010	7.2
95.04955	16.2
95.08622	3.2
97.06505	18.6
103.05460	14.7
105.03389	21.7
105.07027	32.2
107.04932	23.4
107.08553	4.9
107.26707	2.3
109.02864	4.7
115.05440	9.2
117.03413	2.6
117.06994	7.2
119.08604	5.1
121.06464	12.0
128.06203	7.0
129.01863	2.4
129.06982	11.1
131.04897	4.5
131.08524	4.2
133.02827	12.4
133.06483	12.2
133.10121	4.4
135.04424	3.6
142.07803	2.8
145.06496	11.3
145.10071	3.6
147.04430	2.6
147.08067	4.2
149.09698	2.6
151.86676	2.6
153.07076	2.9
159.11627	2.7
160.91463	2.6
161.02354	4.2
161.05968	86.1
161.78360	2.4
163.03873	8.3
171.08058	3.1
173.02312	10.1
173.06020	2.6
181.06487	3.1
185.21289	3.1
199.14740	2.9
215.07021	7.8
241.15852	2.7
241.19638	2.9
244.85941	2.5
259.16913	100.0
259.19800	3.3
259.20758	4.2
260.17377	2.4
277.82410	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	3.2
53.03944	13.2
55.01867	100.0
55.05499	6.2
57.07060	5.8
65.03933	6.3
66.74773	1.8
67.05500	8.0
69.03408	2.6
69.07057	14.7
69.86302	6.8
69.86710	3.4
71.05017	2.4
77.03910	4.5
79.05018	2.8
79.05486	57.1
81.03404	6.9
81.07032	7.1
83.08593	3.2
89.03908	8.1
91.05472	27.9
93.07040	4.9
95.04951	27.9
97.06527	16.6
103.05450	28.4
105.03386	20.1
105.04491	5.0
105.07019	28.6
107.04919	5.8
107.08584	4.6
111.94592	1.7
115.05441	30.6
117.03335	1.9
117.07004	5.0
119.04928	2.4
119.08569	5.4
125.09615	2.2
128.06183	12.2
129.06970	12.6
129.78911	1.8
131.04913	4.4
131.08539	5.2
132.05756	2.0
133.02798	2.8
133.06439	3.6
133.10101	3.4
135.04416	2.1
141.06979	5.7
142.07777	2.7
143.04808	2.0
143.08553	5.1
145.06535	3.0
145.10135	2.8
147.04378	3.0
147.08034	1.8
152.06288	2.2
153.06938	3.3
155.08510	4.4
157.06534	1.8
157.10071	4.2
159.08020	2.2
161.02330	3.5
161.05966	62.2
163.03883	6.8
171.11534	2.4
173.02339	5.4
181.06496	2.0
215.07034	5.7
241.15686	1.8
241.19124	2.1
248.92415	1.7
259.11322	3.4
259.16974	11.7
259.20514	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01867	3.9
55.05497	1.7
56.75541	0.6
57.03420	1.8
58.89110	0.5
67.05499	3.8
69.03408	1.4
69.07059	14.1
70.79394	1.6
70.79752	1.1
77.03928	0.9
79.05488	13.8
89.03918	5.6
94.32129	0.5
94.42387	0.5
95.04959	1.5
97.06519	100.0
103.05424	1.0
105.60347	0.6
107.04935	1.3
117.03374	5.5
131.04880	1.0
133.02853	5.2
134.03557	0.8
135.04404	8.2
138.14787	0.6
145.02832	5.2
147.04459	1.5
159.04398	5.2
161.02321	21.0
161.05975	0.9
163.03894	39.0
169.06435	0.7
173.02333	42.0
175.03825	0.6
185.05983	1.5
186.03098	1.3
187.03873	1.2
187.07579	1.6
197.05978	1.2
215.07007	42.4
216.07365	1.0
217.04907	0.8
241.08574	1.1
259.09634	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.6
68.90083	3.8
69.03416	5.7
69.07066	7.3
70.06573	3.9
70.07771	19.3
72.08120	4.9
74.18724	4.0
79.05491	8.4
81.04500	4.4
81.07025	4.4
83.05036	4.2
84.04508	6.7
84.08120	9.2
85.02879	3.8
85.50871	3.7
86.09683	8.2
92.26959	3.9
93.07040	4.8
97.02906	19.3
97.06516	12.6
98.21523	4.5
135.04428	5.9
161.09686	3.7
163.03862	8.9
173.02426	8.4
179.11444	3.8
201.16374	4.8
212.76469	3.7
212.79662	3.6
215.06969	8.5
215.12863	4.3
254.24078	4.0
259.04196	100.0
259.09778	6.7
259.16763	6.8
259.20480	9.2
277.96609	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
56.96560	12.8
58.99851	8.2
60.89686	1.8
66.56481	2.1
68.11745	1.9
70.06581	5.8
70.99854	5.8
72.08134	5.9
73.02901	2.5
77.00904	12.3
84.04488	7.8
84.08117	13.5
85.02905	2.8
86.09694	8.8
89.00844	4.1
95.01937	4.2
97.02878	6.3
97.06515	3.5
98.97576	8.4
100.02177	22.8
101.00857	14.5
113.00888	7.8
115.02407	4.6
116.98604	8.6
119.01913	100.0
121.03497	3.1
128.51994	1.9
128.98631	3.5
129.10214	4.6
131.01895	97.9
133.01727	3.2
133.03459	41.4
134.99614	5.2
137.02948	28.9
142.03462	2.5
145.03421	4.6
146.02684	24.5
146.99635	3.8
149.02936	60.2
151.04515	22.9
151.05624	3.7
154.03461	4.6
156.05106	2.4
156.99789	5.2
157.03471	3.0
158.99565	3.4
159.01419	4.7
161.02945	12.9
163.04443	2.6
167.04022	3.6
171.01389	11.3
174.99313	4.7
175.00879	62.8
177.00793	6.0
177.02411	38.6
179.04042	3.6
185.02924	4.8
189.02412	44.9
191.03954	4.5
192.98598	2.4
193.00215	7.5
193.01932	24.6
195.01866	3.7
195.03453	15.1
198.02420	4.0
199.00647	3.9
199.02251	8.5
200.03899	2.9
203.03981	7.2
207.03525	4.5
212.04147	4.4
213.02438	27.8
213.06920	3.6
215.03934	5.6
217.01918	86.6
227.00423	2.5
231.03488	26.4
233.05029	5.4
235.00894	3.9
235.02991	53.2
240.03549	9.2
241.01683	12.7
245.01413	4.0
249.04636	3.4
258.98822	6.8
259.03159	73.6
259.07227	2.5
259.20535	3.0
260.03046	2.8
277.01068	4.1
277.03998	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
55.05505	6.6
55.65308	1.2
57.03418	1.6
57.07060	1.8
67.05490	7.0
67.36891	1.1
69.07064	6.8
70.87875	3.0
71.04970	4.3
79.05469	4.0
81.07043	8.8
83.04955	2.8
83.08589	3.9
85.06532	5.1
91.05475	9.3
93.07040	8.5
95.04948	3.4
95.08591	12.4
97.06527	1.7
98.98521	0.9
99.08054	1.9
105.07027	15.9
105.35347	1.0
107.08571	10.2
109.06491	5.7
109.10143	9.1
115.05415	1.6
117.06380	1.0
117.07016	11.0
119.08581	17.7
121.06489	1.6
121.10136	15.3
123.08092	2.2
123.11659	1.5
128.06212	3.7
129.06973	7.3
130.07780	2.1
131.08557	21.8
133.10139	10.8
135.08057	6.0
135.11682	2.6
137.09660	5.3
141.06950	3.2
142.07735	8.0
143.08543	16.9
144.09349	2.8
145.10107	27.9
147.11653	4.1
149.09584	3.2
154.07716	1.7
155.08556	8.3
156.09267	5.1
157.10109	24.8
158.10915	5.9
159.08092	1.9
159.11679	35.6
161.09599	3.3
161.13257	2.0
163.11169	3.4
167.08537	1.3
168.09337	3.2
169.10126	10.8
170.10870	2.7
171.11678	15.4
172.08755	1.1
172.12437	1.5
173.09592	3.9
173.13246	28.0
174.13982	4.2
175.11136	3.5
175.14833	3.3
177.12753	1.7
181.10114	1.3
182.10919	1.4
183.11682	16.6
184.12424	3.3
185.13249	6.9
186.10437	1.6
187.11174	8.1
187.14761	5.1
188.11844	1.8
189.12820	1.7
196.12544	1.2
197.13232	11.0
199.14806	22.5
200.15323	1.5
201.12704	9.4
209.13333	1.3
210.13916	1.5
211.14806	2.2
213.16403	11.3
214.17084	2.8
215.14313	3.8
215.17903	9.5
224.15579	2.1
229.19522	2.4
239.17917	18.3
257.18982	100.0
258.19272	1.7
258.27969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03926	1.4
55.05492	3.3
56.62598	0.8
57.03412	1.4
57.07059	1.7
61.79575	0.7
67.05499	8.0
67.42124	0.8
69.07065	4.6
70.36479	1.8
70.36873	2.0
71.04971	3.5
72.08134	1.1
79.05479	8.3
81.07047	7.1
83.04980	1.0
83.08605	2.3
85.06535	1.9
91.05463	11.5
93.07029	17.5
93.38150	0.8
95.04958	5.6
95.08603	9.2
95.79966	1.0
96.50040	0.8
97.06520	1.0
99.08086	0.9
103.05441	2.2
105.07020	29.3
107.08575	16.7
109.06517	5.3
109.10155	8.9
109.86946	0.8
111.08072	3.0
113.03854	0.9
115.05421	2.4
117.07011	9.1
119.08574	21.7
121.10129	100.0
122.10458	0.9
123.08065	5.1
123.11671	2.4
125.09651	1.0
128.06194	3.0
129.06982	6.7
130.07777	0.9
131.08560	15.5
133.07602	1.7
133.10114	10.1
134.77258	1.0
135.08040	16.9
135.11661	3.6
137.09578	5.5
141.06976	1.9
142.07780	6.1
143.08542	20.7
144.09247	1.3
145.10112	23.5
147.08063	1.4
147.11632	2.3
149.09572	4.9
150.68727	0.8
151.11113	1.3
153.06891	0.8
154.07741	1.0
155.08562	5.0
156.09323	2.5
157.10100	19.9
158.10869	2.2
159.08113	1.2
159.11658	13.3
161.09549	2.5
161.13232	2.6
162.86455	0.7
163.11183	4.2
168.09297	2.0
169.10089	11.8
170.10869	1.2
171.11668	11.6
173.09653	1.5
173.13242	16.6
175.11113	1.1
175.14758	1.6
176.14888	0.8
177.12852	1.4
181.10106	1.1
182.10843	1.7
183.11667	9.7
184.12471	2.7
185.13225	2.0
187.11163	3.1
187.14832	2.3
189.12761	1.7
195.11722	1.2
197.13199	8.7
199.14804	34.5
201.12691	6.5
209.13203	1.3
210.13927	1.2
211.14833	2.2
213.16338	11.1
214.17110	2.4
215.14308	2.0
215.17960	6.1
224.15611	1.4
229.19406	1.1
239.17909	16.3
257.18973	88.4
257.26587	1.9
258.19226	3.0
258.27808	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03938	0.9
55.05511	4.8
57.07057	2.6
59.04975	1.0
63.19787	0.7
64.17099	0.9
67.05507	6.0
69.05152	0.8
69.07056	5.7
71.04626	1.6
71.04920	4.1
79.05484	5.6
81.07029	5.2
82.68642	0.9
83.04958	1.9
83.08604	2.5
85.06538	3.8
90.09174	1.0
91.05459	10.3
91.87070	0.8
93.07030	16.6
95.04971	4.6
95.08602	9.5
97.06503	1.0
99.08072	1.8
103.05430	1.7
105.07022	25.1
107.08577	15.1
109.06512	5.5
109.10142	9.7
111.08062	2.4
115.05461	1.3
117.07003	4.9
119.08562	21.2
119.24716	0.8
121.06454	1.2
121.10130	65.8
122.10432	1.3
123.08064	4.1
123.11703	1.5
127.79980	0.9
128.06206	3.0
129.06963	5.8
130.07751	1.2
131.08545	12.6
133.07671	0.9
133.10098	10.7
135.08046	14.4
135.11650	3.7
137.09576	4.3
141.06958	1.6
142.07718	6.5
143.08545	19.7
144.09285	2.9
145.06479	1.1
145.10114	18.2
147.11676	3.5
149.09589	4.9
151.11140	1.7
155.08537	4.6
156.09354	5.9
157.10107	22.4
158.10843	3.6
159.08049	1.4
159.11679	18.6
161.09583	2.5
161.13237	2.2
163.11238	3.8
167.08540	1.1
168.09315	2.0
169.10107	13.3
170.10880	1.8
171.11661	14.2
173.09607	3.0
173.13232	25.1
173.15483	1.0
174.14023	2.8
175.11180	3.1
175.14807	2.7
177.12746	1.5
181.10126	1.1
182.10910	1.8
183.11670	11.6
184.12460	4.1
185.13206	2.5
187.11151	7.1
187.14767	6.1
189.12729	2.9
195.11624	1.4
196.12451	1.0
197.13239	9.6
198.13864	1.4
199.14798	33.2
200.15295	1.0
201.12727	8.8
209.13258	2.2
213.16338	12.1
214.17131	3.2
215.14273	3.3
215.17926	9.1
222.64804	1.0
224.15672	1.6
234.68039	0.7
239.17897	14.5
257.18979	100.0
258.19351	2.9
258.27942	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.01867	1.3
55.05490	0.7
57.03419	2.1
65.67631	0.5
67.05493	3.9
69.03428	0.8
69.07049	1.4
70.61057	1.3
70.61440	1.2
71.04988	0.7
79.05476	3.2
81.03401	100.0
81.07041	1.9
83.04951	2.4
85.02881	1.8
85.97505	0.6
90.59120	0.6
91.05461	13.3
93.07020	6.0
95.04939	1.8
95.08085	0.6
95.08581	3.7
97.02878	0.8
98.20755	0.6
105.07017	1.1
107.08559	0.7
109.06492	0.8
109.10150	2.4
117.07012	0.8
119.08559	16.7
121.06500	4.9
121.10147	0.6
123.08086	1.7
137.09590	15.6
144.41202	0.6
147.08028	4.9
156.44417	0.6
165.09084	32.2
176.59688	0.6
178.06023	0.6
183.10179	1.6
239.12746	4.7
257.08087	1.7
257.13736	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.7
55.01856	4.2
55.05492	2.6
57.03431	23.0
62.40517	1.1
62.59332	1.0
65.03915	2.1
67.05500	30.4
69.03425	2.7
69.07055	3.7
69.83447	6.2
71.04974	4.4
79.05484	12.2
81.03410	81.4
81.07045	9.5
83.04957	3.8
85.02898	21.1
91.05472	83.0
93.07033	34.3
95.04956	4.1
95.08591	26.3
95.16706	1.0
97.02877	2.8
105.07006	7.5
107.03898	1.0
107.04942	1.1
107.08559	1.3
109.06515	3.1
109.10146	19.2
111.08109	1.3
117.07011	5.4
119.08569	100.0
120.08900	1.2
121.06503	8.0
121.10081	2.2
123.08044	2.5
129.06982	3.2
135.07957	1.3
137.05930	2.5
137.09601	47.5
147.06976	1.4
147.08038	10.1
151.84660	1.2
163.59563	1.4
165.09099	56.4
177.48647	1.1
183.10161	9.0
201.11162	4.3
239.12770	7.4
257.13803	27.8
279.73196	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01857	3.9
55.05496	5.9
57.03429	25.1
57.07052	4.2
60.32781	1.8
66.85692	1.6
67.05497	35.0
69.03413	2.0
69.07042	8.1
71.04971	7.1
71.75414	2.7
79.05476	13.2
81.03412	34.0
81.07047	13.3
83.04980	3.1
85.02896	25.6
85.06510	2.7
90.79012	1.8
91.05469	86.8
91.15853	1.7
93.07037	36.8
95.04948	7.1
95.08590	34.0
97.02878	2.1
97.06535	4.4
99.04429	5.9
99.08082	3.0
105.07012	13.2
107.08587	9.5
109.06552	4.6
109.10139	26.0
111.08017	2.7
117.06979	6.7
119.08566	100.0
121.06497	4.6
121.10125	19.9
123.08025	4.4
127.03873	3.8
128.06163	2.6
129.06987	5.7
131.08534	7.0
133.10110	7.3
135.08046	4.6
135.11662	4.3
137.09599	50.3
142.07768	4.4
143.08522	10.4
144.09334	2.6
145.10135	16.2
147.08052	8.2
155.08533	4.0
156.09328	3.0
157.10095	16.3
158.10909	1.9
159.08054	2.5
159.11673	18.7
161.09535	2.4
161.13251	2.1
165.09119	32.3
169.10062	5.3
170.10956	2.4
171.11662	8.4
173.09610	3.3
173.13248	21.8
175.11201	3.8
182.10841	2.3
183.10143	11.4
183.11671	6.8
185.13214	2.5
187.11140	5.5
187.14795	2.5
197.13223	7.7
199.14766	15.2
201.12733	7.1
211.14874	2.5
213.16353	9.8
214.17169	3.2
215.14310	3.5
215.17979	11.8
224.15596	2.8
239.17857	11.6
257.13797	30.1
257.18964	65.3
257.26654	4.3
257.30246	2.8
274.78073	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1282
Annotation	Albonoursin
Peak:m/z	Relative Intensity
55.05504	1.0
57.03421	1.7
65.03938	6.2
65.51109	0.8
67.05493	4.3
69.07063	0.8
70.06593	1.0
70.28165	3.2
70.84028	0.8
71.76635	0.9
79.05499	1.7
81.03418	1.4
81.07032	1.2
82.02934	1.7
84.04488	1.1
87.32880	0.8
90.43431	0.8
91.05465	2.7
92.05004	6.3
93.07013	2.6
94.06548	3.0
95.04963	1.6
95.08576	2.5
96.57607	1.0
97.06496	1.8
98.21397	1.0
105.07001	1.4
106.06535	1.3
108.08104	1.7
109.10122	1.7
110.06042	1.1
115.05504	1.4
117.07116	1.0
118.06588	0.9
119.08552	3.5
120.04451	3.6
122.06013	2.4
123.06876	1.0
128.06183	1.3
129.07001	1.3
130.06465	1.2
131.08487	2.1
132.08130	1.1
133.10185	1.0
141.06953	1.2
142.06592	1.6
143.08543	1.3
144.08087	1.8
145.07574	0.8
145.10117	2.5
146.05968	1.1
150.09023	1.0
154.06488	3.6
154.07773	1.8
155.07306	1.4
156.08066	3.0
157.10092	1.4
158.06015	2.2
158.09621	1.1
159.11665	1.5
160.07512	2.0
160.11224	1.2
165.06958	1.0
167.08534	1.3
168.06805	1.4
168.08098	5.2
169.08853	8.2
170.09558	2.1
171.09172	4.3
171.10455	1.8
172.07556	1.5
172.09953	3.6
174.09155	1.2
176.10645	1.2
181.07579	1.1
182.06018	2.4
183.06758	2.2
183.09180	2.7
184.07616	4.9
184.11195	8.3
185.07104	3.9
185.10742	5.1
186.11479	12.7
186.12827	1.4
187.08630	2.7
189.10307	1.0
196.07529	1.4
196.09967	2.5
197.08356	8.7
198.07750	1.1
199.08601	12.2
200.09392	20.6
201.10210	4.5
201.13841	17.3
202.12407	0.9
209.07063	1.1
211.08714	2.0
211.12378	1.1
212.10684	16.2
213.06604	11.3
213.10181	13.0
214.07347	3.4
214.10760	10.7
224.09422	2.3
227.08141	12.2
228.08859	27.9
229.09798	29.2
229.13324	57.2
239.11934	4.6
239.18062	1.1
240.10153	3.5
241.07217	1.0
241.09689	22.6
242.10475	46.0
243.10959	1.1
257.04590	1.9
257.08298	3.2
257.12827	100.0
257.26553	1.0
258.13202	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.128
Annotation	Albonoursin
Peak:m/z	Relative Intensity
55.05488	1.3
57.03434	0.8
65.03934	6.0
67.05495	3.9
69.42188	3.4
69.42623	4.3
79.05479	1.9
81.03410	0.9
81.07030	2.1
91.05466	3.8
92.04998	5.4
93.03363	0.9
93.07028	2.4
94.06538	2.0
95.04953	1.9
95.08576	1.5
97.06538	1.2
105.07032	1.6
107.08551	0.9
108.08134	1.6
109.10154	0.9
110.06030	1.3
117.07003	0.8
119.08551	2.8
120.04430	3.4
122.06003	3.1
129.07007	1.8
130.06512	0.9
131.08601	0.7
133.10175	0.9
134.05611	0.7
136.07597	1.0
137.34332	0.8
142.07730	1.3
143.08487	1.2
144.08066	2.7
145.10107	1.8
146.05952	1.0
146.41713	0.8
150.09041	0.8
154.06525	2.3
154.07715	1.2
155.07245	1.5
156.08063	1.8
157.08885	1.0
157.10117	1.3
158.05980	1.0
158.09578	0.9
159.09215	2.0
159.11552	1.1
160.07555	3.5
161.05954	1.0
163.08586	0.9
165.09055	1.3
168.06821	1.1
168.08087	2.8
169.08852	6.0
169.10130	1.5
170.09645	1.2
171.09111	2.0
171.10449	2.0
172.07480	1.9
172.09938	3.0
173.10693	1.9
173.34328	0.9
174.09116	1.0
182.05962	1.3
183.09131	1.3
184.07571	4.3
184.11192	5.7
185.07068	2.7
185.10709	5.7
186.09125	1.8
186.11507	12.3
187.08665	5.0
194.09734	1.1
196.07622	1.2
196.09871	0.9
197.08359	6.0
199.08527	6.9
200.09416	10.1
201.10222	3.5
201.13844	17.3
211.08661	1.9
212.10712	13.4
213.06580	8.2
213.10028	5.5
214.07349	2.3
214.10835	8.2
227.08116	6.5
228.08881	11.7
229.09825	18.8
229.13327	60.8
239.11850	1.5
239.17870	1.3
240.10153	2.8
241.09685	8.9
242.10497	10.6
257.12827	100.0
257.18481	3.8
258.13101	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
55.05508	21.7
57.07056	16.7
65.54630	3.3
67.05500	24.8
69.07056	21.8
71.08615	4.5
71.75699	5.8
79.05477	33.7
81.07043	18.0
83.08605	10.3
87.75455	3.5
91.05458	58.4
93.07028	34.8
95.04931	4.9
95.08601	12.2
97.06586	3.9
97.10151	5.3
98.98447	41.8
99.46394	3.7
103.05454	4.9
105.07014	33.6
107.08553	10.7
109.10138	6.3
115.05438	45.3
116.06241	3.7
116.89816	3.4
117.06999	81.2
119.08572	13.5
121.10113	6.6
128.06203	53.8
128.07066	5.6
129.06992	100.0
131.08543	16.8
132.07954	3.5
133.10039	6.4
135.11658	5.7
141.06947	25.5
142.07761	35.1
143.08539	71.0
145.06485	5.8
145.10112	7.4
153.07068	4.4
154.07791	3.9
155.05898	5.3
155.08540	24.0
156.09348	14.3
157.10126	46.9
159.11691	7.8
169.10127	10.0
170.10849	9.4
171.11658	37.4
183.11630	4.9
185.13274	13.7
192.30852	3.5
199.14767	6.4
213.16301	4.1
227.18034	4.1
255.11723	7.3
255.17519	12.4
255.21043	89.7
256.12393	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.5
55.01863	6.1
55.05506	30.5
56.96553	2.8
57.03432	50.9
57.07065	5.4
59.04998	2.1
65.03941	2.6
67.05499	79.9
69.03430	3.5
69.07057	28.7
70.62662	5.4
70.63033	2.5
71.01350	7.4
71.04980	12.9
79.05486	71.3
81.03403	9.7
81.07044	42.6
83.04972	21.2
83.08610	11.9
84.08118	2.3
85.02898	5.1
85.06533	8.8
86.09673	2.0
91.05472	33.1
93.07034	70.6
95.04950	9.8
95.08609	15.4
97.06523	26.3
97.10153	15.2
98.98459	52.7
99.04436	2.3
99.08096	2.3
105.07014	12.2
107.04944	3.5
107.08583	49.9
109.02862	3.6
109.06522	4.0
109.10156	14.4
111.04453	2.2
111.08093	3.6
115.05479	2.9
117.06995	11.6
119.08556	13.3
121.06461	2.3
121.10118	15.4
123.05573	1.9
123.11723	1.8
125.09630	3.5
130.07736	2.6
131.08569	3.7
133.10106	8.6
135.08058	6.8
135.11679	100.0
136.12126	2.2
136.34622	1.8
137.05908	2.3
137.09624	5.5
141.06900	2.6
145.10104	20.4
153.07043	1.8
153.12758	4.1
157.10097	2.2
159.11714	2.6
163.11208	13.8
165.05362	2.0
167.07068	2.1
170.91608	1.9
175.03873	1.9
181.08653	2.2
181.12228	15.8
195.06662	2.6
219.14038	2.3
227.11812	2.6
255.06532	5.1
255.10840	5.3
255.13507	3.3
255.15836	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
53.09637	1.3
55.01858	4.3
55.05504	27.7
56.96551	1.4
57.03152	3.0
57.03431	53.1
57.07069	4.4
65.03935	2.9
67.05497	76.9
69.03437	2.2
69.07059	21.4
71.01348	7.6
71.04974	9.6
71.08617	1.5
71.74745	1.8
78.04723	1.2
79.05484	68.9
81.03394	9.0
81.07048	39.4
83.04969	20.3
83.08615	6.5
85.02882	2.3
85.06525	7.4
91.05472	30.3
93.07034	79.3
95.04948	9.8
95.08597	12.6
97.06523	21.7
97.10159	18.1
98.98455	23.2
99.04474	2.6
99.08086	4.1
105.07005	8.8
106.45929	1.2
107.04953	4.5
107.08579	53.5
108.05730	1.4
109.06518	4.3
109.10170	8.2
111.04394	1.4
111.08077	3.2
115.05418	1.8
117.07014	11.4
119.08567	8.3
121.06488	3.2
121.10133	10.6
123.08082	1.4
125.09616	4.9
131.08554	1.5
133.10136	6.1
135.04408	1.8
135.08101	6.1
135.11678	100.0
136.12050	1.5
137.05957	3.2
137.09581	4.0
145.10103	15.7
153.12715	2.8
163.03894	4.9
163.07529	2.6
163.11148	12.4
165.05397	1.2
167.07056	2.9
169.04971	2.4
181.04863	3.0
181.08597	1.2
181.12209	14.2
183.02892	3.6
191.03384	1.6
195.06401	1.7
195.42308	1.1
196.07320	3.2
199.09602	2.3
199.13271	1.4
200.04948	1.4
211.09590	3.2
215.44968	1.4
240.02905	1.5
255.06454	2.6
255.12233	2.9
255.15735	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
53.09637	1.3
55.01858	4.3
55.05504	27.7
56.96551	1.4
57.03152	3.0
57.03431	53.1
57.07069	4.4
65.03935	2.9
67.05497	76.9
69.03437	2.2
69.07059	21.4
71.01348	7.6
71.04974	9.6
71.08617	1.5
71.74745	1.8
78.04723	1.2
79.05484	68.9
81.03394	9.0
81.07048	39.4
83.04969	20.3
83.08615	6.5
85.02882	2.3
85.06525	7.4
91.05472	30.3
93.07034	79.3
95.04948	9.8
95.08597	12.6
97.06523	21.7
97.10159	18.1
98.98455	23.2
99.04474	2.6
99.08086	4.1
105.07005	8.8
106.45929	1.2
107.04953	4.5
107.08579	53.5
108.05730	1.4
109.06518	4.3
109.10170	8.2
111.04394	1.4
111.08077	3.2
115.05418	1.8
117.07014	11.4
119.08567	8.3
121.06488	3.2
121.10133	10.6
123.08082	1.4
125.09616	4.9
131.08554	1.5
133.10136	6.1
135.04408	1.8
135.08101	6.1
135.11678	100.0
136.12050	1.5
137.05957	3.2
137.09581	4.0
145.10103	15.7
153.12715	2.8
163.03894	4.9
163.07529	2.6
163.11148	12.4
165.05397	1.2
167.07056	2.9
169.04971	2.4
181.04863	3.0
181.08597	1.2
181.12209	14.2
183.02892	3.6
191.03384	1.6
195.06401	1.7
195.42308	1.1
196.07320	3.2
199.09602	2.3
199.13271	1.4
200.04948	1.4
211.09590	3.2
215.44968	1.4
240.02905	1.5
255.06454	2.6
255.12233	2.9
255.15735	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
54.67576	1.4
55.01870	27.4
55.05508	7.0
57.03152	1.7
57.03430	30.2
57.07068	1.8
65.03931	2.2
66.61431	1.3
67.05499	22.2
69.03410	4.9
69.07055	4.7
70.06575	2.2
70.51518	2.4
70.51935	4.1
71.04968	1.9
72.08157	1.2
77.70259	1.2
79.05485	63.1
81.03413	11.2
81.07048	11.8
83.01335	14.0
83.04969	5.6
83.08610	2.0
85.02900	5.4
85.06543	1.4
87.82677	1.2
91.05471	99.2
93.07037	39.6
95.04958	8.6
95.08596	4.9
97.02873	1.9
97.06521	4.8
97.10161	2.3
98.98460	36.2
99.04458	1.6
100.98879	1.5
103.05431	1.8
105.07028	8.1
107.04944	12.3
107.08582	50.1
109.06509	8.8
109.10120	1.5
111.04428	4.2
111.08059	2.3
115.05447	9.6
117.07008	77.1
119.08558	7.8
121.06505	4.5
121.10099	1.6
123.05524	3.4
125.09612	11.3
129.05505	2.3
129.06938	1.4
135.08040	100.0
137.09650	2.2
143.08527	1.4
145.06480	4.4
153.09081	17.6
163.07533	13.6
168.61810	1.3
181.04993	1.5
181.08589	9.8
195.08162	1.2
199.09688	6.1
255.03127	1.9
255.06337	2.8
255.12277	47.6
255.17688	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
54.67576	1.4
55.01870	27.4
55.05508	7.0
57.03152	1.7
57.03430	30.2
57.07068	1.8
65.03931	2.2
66.61431	1.3
67.05499	22.2
69.03410	4.9
69.07055	4.7
70.06575	2.2
70.51518	2.4
70.51935	4.1
71.04968	1.9
72.08157	1.2
77.70259	1.2
79.05485	63.1
81.03413	11.2
81.07048	11.8
83.01335	14.0
83.04969	5.6
83.08610	2.0
85.02900	5.4
85.06543	1.4
87.82677	1.2
91.05471	99.2
93.07037	39.6
95.04958	8.6
95.08596	4.9
97.02873	1.9
97.06521	4.8
97.10161	2.3
98.98460	36.2
99.04458	1.6
100.98879	1.5
103.05431	1.8
105.07028	8.1
107.04944	12.3
107.08582	50.1
109.06509	8.8
109.10120	1.5
111.04428	4.2
111.08059	2.3
115.05447	9.6
117.07008	77.1
119.08558	7.8
121.06505	4.5
121.10099	1.6
123.05524	3.4
125.09612	11.3
129.05505	2.3
129.06938	1.4
135.08040	100.0
137.09650	2.2
143.08527	1.4
145.06480	4.4
153.09081	17.6
163.07533	13.6
168.61810	1.3
181.04993	1.5
181.08589	9.8
195.08162	1.2
199.09688	6.1
255.03127	1.9
255.06337	2.8
255.12277	47.6
255.17688	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01866	11.2
55.05510	8.8
57.03430	14.6
67.05490	20.8
69.03422	3.8
69.07058	6.0
69.43593	24.6
71.05000	6.5
77.03911	2.3
79.05486	45.1
81.03419	5.7
81.07048	9.5
83.04998	3.0
91.05477	21.6
93.07027	21.3
95.05005	4.2
95.08577	3.8
97.02887	6.9
97.06510	3.9
97.10130	3.5
98.98454	39.8
99.04430	15.4
100.98859	2.2
103.05520	2.3
105.07029	6.9
107.04942	20.3
107.07890	4.7
107.08588	52.9
109.06495	2.6
109.10128	2.5
109.46191	2.3
111.04488	5.8
115.05439	4.3
117.07011	45.7
118.31958	2.3
119.08578	5.6
121.06506	15.4
125.09641	7.5
135.07027	4.3
135.08043	78.8
145.06459	11.8
153.09100	15.2
157.10095	3.3
163.07536	73.8
181.08572	18.7
185.09511	2.2
185.13411	2.8
199.07784	5.8
199.09636	100.0
209.11786	3.2
234.90074	2.6
237.11407	2.6
255.06477	5.4
255.12122	21.5
255.17654	5.3
255.20998	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70057	0.4
55.01860	2.5
56.96556	1.0
57.03179	0.5
57.03423	4.4
61.02913	1.9
64.38787	0.3
69.03416	2.7
70.09451	0.6
70.09850	1.0
70.99857	0.4
71.01340	0.9
73.02899	2.5
74.06080	0.3
76.56226	0.3
78.03426	0.8
80.05002	3.3
83.38535	0.3
85.02894	4.0
86.09721	0.6
87.04448	0.9
96.04494	0.7
97.02859	2.4
98.97552	0.4
98.98434	0.9
101.00877	0.7
106.02902	6.7
115.03909	1.5
116.98640	0.5
118.44005	0.3
119.01916	2.5
123.05533	100.0
124.03931	0.5
124.05867	1.0
126.98738	0.3
127.03921	0.4
131.01903	0.7
133.03441	1.0
133.04938	2.3
137.02901	0.4
144.99823	1.7
145.03392	0.8
147.05113	0.6
152.04958	0.9
153.05731	0.7
159.05045	0.4
161.02934	0.5
161.05508	1.5
163.00880	0.5
171.01277	0.4
172.99260	0.5
177.02400	0.6
189.03667	0.8
205.01817	0.5
213.03586	0.4
232.10271	0.6
234.48523	0.4
243.05220	0.5
245.05170	0.6
251.02632	0.6
255.09857	0.6
256.02985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
57.03187	0.4
57.03431	4.9
57.07068	0.4
58.99857	0.5
61.02911	1.5
67.05513	0.5
69.03414	2.2
69.07055	0.7
71.01339	0.8
71.04991	0.4
71.08633	0.4
71.72934	0.5
73.02901	3.1
78.03421	1.2
80.05014	2.8
85.02896	3.7
94.19205	0.4
96.04467	0.7
97.02876	2.3
98.98465	6.3
99.04396	0.5
101.00869	0.6
106.02905	6.8
110.07166	0.4
115.02456	0.5
115.03925	1.9
119.01867	1.9
123.05539	100.0
124.03953	1.9
124.05855	1.0
126.98781	0.5
127.03883	0.6
131.01886	0.7
133.03409	0.5
133.04939	2.6
143.01874	0.4
144.99791	3.1
145.03430	0.9
155.01912	0.6
156.97429	0.9
161.02966	0.9
163.00906	0.9
172.99338	0.5
173.02902	1.0
174.04539	0.7
174.98523	0.7
177.02446	0.9
183.05014	0.5
185.02921	0.8
188.55771	0.5
191.00334	0.8
201.00151	0.7
205.01859	0.4
245.05147	1.2
251.02631	1.0
255.06372	1.2
256.03030	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
57.03429	4.0
61.02925	1.8
69.03429	1.9
69.42380	3.6
69.42786	0.9
71.01347	0.6
73.02908	4.5
75.17493	0.4
78.03440	1.5
80.05006	2.9
81.03424	0.6
85.02913	4.0
87.04471	0.6
91.03952	0.4
96.04458	0.9
97.02869	2.4
98.21500	0.8
98.98469	1.6
99.04502	0.4
101.00787	0.4
103.03925	0.4
106.02906	6.0
106.03580	0.6
106.37416	0.4
110.07157	0.4
115.03921	1.1
116.69810	0.3
119.01904	1.1
119.97534	0.4
123.05540	100.0
124.03946	1.8
124.05851	0.9
131.01888	0.5
133.03479	0.4
133.04958	2.4
137.08499	0.4
138.03424	0.5
143.01894	0.6
145.03360	0.5
155.01932	0.5
161.02998	0.8
173.02969	1.0
174.04471	0.4
183.05052	0.5
185.02988	1.4
197.02971	0.6
221.05043	0.5
245.05025	1.4
255.06282	0.7
255.09555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49342	0.4
53.77911	0.5
55.01858	2.0
57.03435	3.0
61.02910	1.1
69.03411	1.9
71.01356	0.7
71.72015	0.4
71.73212	0.6
73.02908	1.9
78.03445	1.7
80.04994	2.5
85.02895	2.1
91.14622	0.4
94.51987	0.5
97.02885	0.9
106.02907	7.2
106.26523	0.5
115.03941	1.1
123.05546	100.0
124.03997	0.7
124.05870	1.0
125.29069	0.5
132.09834	0.4
133.04959	2.0
138.03583	0.4
143.03381	0.5
150.04848	0.4
165.14658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16425	0.6
53.03935	2.0
54.35327	0.6
55.01852	1.0
55.05503	7.4
57.03429	1.3
57.07064	4.6
58.58083	0.6
58.77553	0.6
58.99570	2.0
61.01122	0.6
63.53546	0.6
65.03921	1.2
67.05494	13.5
69.03407	1.1
69.07058	10.2
70.65323	0.6
71.05005	1.1
71.74671	1.0
75.02693	7.7
77.00596	1.0
77.03936	0.8
79.05487	14.7
81.03412	1.4
81.07045	38.4
82.12602	0.5
83.04958	1.1
83.06651	0.5
83.08598	4.0
85.01118	1.6
87.02686	1.4
91.02200	1.6
91.05466	13.4
93.07030	18.6
95.04953	3.1
95.08591	24.4
95.19881	0.6
97.02882	1.0
97.06529	1.3
97.10160	2.0
98.98453	100.0
99.02668	6.6
100.98878	1.4
101.04250	1.4
103.02180	0.8
103.05468	0.8
103.54298	0.7
105.07014	18.6
107.08575	34.0
108.82850	0.6
109.06503	2.7
109.10139	16.6
111.02640	2.2
111.08070	1.2
111.11669	0.8
113.04229	2.8
116.92253	0.8
116.99490	3.8
117.03686	0.9
117.07003	1.2
119.08557	20.8
121.10122	11.0
123.08064	1.6
123.11704	5.0
125.04188	1.5
125.09579	1.4
127.05824	1.0
129.03769	0.8
131.05247	2.7
131.08560	2.4
133.10112	13.4
135.11681	12.7
137.13226	1.3
139.05762	0.9
140.01093	2.6
141.05386	0.8
141.07138	0.9
145.10117	3.5
147.11665	10.2
149.13271	2.6
151.11209	1.4
157.06839	1.2
159.11694	3.3
161.05853	0.7
161.13235	4.6
163.14803	3.9
165.07207	1.5
167.08627	1.0
169.10078	0.7
173.13399	0.8
174.99240	2.3
175.14844	1.7
176.98904	1.6
177.16373	1.5
179.08815	1.5
183.08340	1.2
183.11664	1.2
188.07062	0.7
193.05229	0.7
193.10390	1.1
195.11824	1.2
197.11719	1.6
201.16275	0.9
203.17923	12.2
211.11162	0.7
211.14856	0.9
225.14877	1.0
235.15022	1.0
238.71764	0.7
250.38278	0.6
253.12000	1.0
253.16241	20.0
253.18997	1.0
254.10222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93315	0.5
51.58832	0.5
53.03938	0.7
55.05508	4.5
57.07072	2.6
58.99575	0.6
62.99061	2.1
65.03934	1.2
65.83319	0.4
67.05499	7.1
69.07058	9.3
70.66759	1.4
71.04989	0.5
71.08608	0.7
77.00619	1.4
77.03909	0.6
79.05482	6.0
80.06273	1.2
81.07043	18.5
83.08615	3.5
83.47903	0.5
91.02152	1.1
91.05459	7.6
93.07027	10.4
95.04951	1.0
95.08597	18.6
96.17744	0.5
97.01122	0.6
97.10182	1.2
98.98450	19.2
99.02663	0.9
103.02148	1.1
103.05476	0.9
104.59963	0.6
105.07015	42.1
107.08582	13.8
108.46147	0.5
109.06527	0.9
109.10143	12.9
111.02659	1.5
113.04218	0.9
116.99496	0.8
117.03700	0.8
117.07004	1.9
117.77415	0.5
119.08564	99.2
120.08878	1.4
121.00464	0.7
121.10130	11.1
123.11684	9.8
125.52323	0.5
129.03706	2.0
131.08557	1.1
133.10114	12.0
135.11647	4.4
137.13206	3.0
141.07326	0.6
145.10112	3.6
147.11665	19.6
149.13217	3.2
151.05704	1.5
159.11667	3.5
161.13248	5.7
163.14804	2.3
173.13287	0.7
175.14828	1.5
177.16360	4.1
179.10716	0.5
191.17972	1.1
197.09901	0.8
201.16420	2.9
203.17924	20.6
226.30986	0.5
235.15253	0.6
253.16180	100.0
254.16515	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
53.66407	0.3
55.05501	3.1
57.07061	1.3
58.99576	0.4
62.99066	0.8
67.05497	3.5
69.07060	4.9
69.46579	1.2
69.47016	1.5
73.01143	0.3
75.54477	0.3
77.00619	0.7
77.03903	0.3
79.05478	3.1
80.06255	0.5
81.07047	13.1
82.98826	0.3
83.08604	1.9
85.10163	0.4
91.05473	5.8
93.07031	5.8
93.07581	0.5
94.07774	0.3
95.04957	0.6
95.08595	11.6
97.10172	1.0
97.75490	0.3
98.98454	13.6
99.02667	0.7
100.98901	0.3
103.02151	0.8
103.05463	0.7
103.39898	0.3
105.07019	33.9
107.08582	8.0
109.06491	0.3
109.10141	7.4
111.02680	1.4
113.04242	0.3
117.03693	1.0
117.07020	1.1
119.08566	99.4
120.08922	1.2
121.09261	0.4
121.10130	8.2
123.11691	6.2
129.03674	1.2
131.08539	0.5
133.09155	0.5
133.10117	7.6
135.11668	2.5
137.13232	3.1
141.07095	0.3
145.10124	1.4
147.11665	10.2
149.13223	1.8
151.05759	0.4
151.14822	0.4
159.08319	0.3
159.11697	2.1
161.13248	4.4
163.14771	2.0
170.17319	0.3
175.14815	1.2
177.16365	2.3
193.10242	0.4
201.16373	1.1
203.17935	11.6
253.16187	100.0
254.16533	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
53.93048	0.4
54.35971	0.4
55.01853	0.5
55.05511	2.5
57.03434	0.7
57.07060	1.8
62.99060	1.5
67.05180	0.6
67.05502	7.3
69.07066	6.2
70.70595	1.7
79.05491	4.5
81.06597	0.9
81.07050	13.6
83.08604	2.5
85.06526	0.7
89.00636	0.5
91.05472	9.3
93.07036	12.7
95.04926	1.1
95.08600	26.4
97.02866	0.5
97.10139	1.0
98.98460	41.0
99.08076	0.5
100.98865	0.6
105.06320	1.1
105.07022	20.4
107.08582	20.2
109.06496	0.6
109.10152	16.9
116.99497	1.3
117.03713	0.5
117.06992	0.9
119.08570	20.3
121.10136	12.1
122.18733	0.5
123.11703	5.5
128.06253	0.5
129.03662	0.5
131.08556	1.1
133.10123	12.7
135.11717	3.3
137.13287	0.7
140.00999	0.6
143.08554	0.5
145.10120	1.6
147.11678	21.1
147.12856	1.0
148.12054	0.6
149.09659	0.5
149.13249	1.7
151.11137	0.7
159.11688	0.8
161.13245	11.1
163.14809	1.7
169.10022	0.4
175.14816	4.4
176.98981	0.6
177.16368	3.8
179.10683	0.7
183.82391	0.6
189.29102	0.6
197.09920	0.7
197.11653	1.0
201.16447	1.4
203.17938	59.0
204.18239	1.4
207.10019	0.5
235.15070	1.3
245.80301	0.5
253.16197	100.0
254.16479	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
53.30907	0.4
55.01872	3.5
55.05506	10.6
57.03430	17.7
57.07067	1.0
65.03935	2.5
67.05498	34.1
68.05824	0.6
69.03425	3.0
69.07069	3.7
71.04979	3.3
71.18009	1.1
72.29102	0.4
73.02885	0.6
76.59182	0.5
79.05483	20.8
81.03410	13.2
81.07047	20.1
81.07536	0.9
83.04973	20.7
83.08619	2.2
85.06528	3.5
90.12007	0.4
91.05470	100.0
92.05779	0.7
93.07037	8.5
95.04958	7.7
95.08601	4.8
97.02887	5.9
97.06507	3.4
98.98454	39.0
99.04445	0.8
99.08064	0.8
100.11256	1.0
100.98886	0.6
103.03919	1.2
103.05430	1.0
105.07021	36.0
107.04943	8.2
107.08576	6.1
109.06499	3.7
109.10148	1.9
111.08060	1.0
113.05978	0.6
115.05444	0.8
116.99483	0.8
117.07005	7.7
117.24204	0.5
119.03376	0.6
119.07730	0.7
119.08569	12.1
121.06487	0.6
121.10148	2.9
123.04399	0.6
123.08066	1.9
123.11687	1.3
124.56651	0.4
125.09670	0.5
127.07601	0.5
127.76819	0.5
128.06230	2.5
131.08549	4.8
133.06494	1.3
133.10114	35.0
135.08040	2.9
135.11707	1.2
137.09590	1.1
137.86807	0.4
140.01094	0.8
141.05437	0.5
143.08560	4.8
145.06490	0.6
147.08038	1.4
149.09607	9.7
151.11174	5.4
161.09605	11.4
163.07338	0.5
171.14841	0.6
174.99353	0.6
179.10681	6.5
183.10202	0.8
194.03401	0.4
197.11755	1.3
219.46677	0.5
235.13182	0.7
253.14311	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
55.05503	1.0
56.96547	0.7
57.07057	2.3
67.05491	2.1
69.03416	2.0
69.07060	1.2
70.03461	2.5
70.06574	1.0
71.04991	1.0
72.08154	0.5
73.06557	3.9
79.05487	0.8
81.03400	1.4
81.07024	2.7
84.04493	1.4
84.08125	1.4
85.02892	1.9
85.74332	0.5
86.09669	0.8
89.04738	0.9
91.05481	1.3
95.04969	0.9
95.08591	2.6
97.02890	1.5
97.10155	0.6
98.98455	100.0
100.98873	0.9
105.07027	1.0
107.08568	0.9
109.06513	0.6
109.10155	1.6
110.05978	0.5
110.07137	0.7
113.08900	0.5
116.99490	3.4
119.08561	1.4
120.08067	0.7
121.10194	0.6
123.04411	0.7
129.10222	1.0
133.10190	0.7
134.05916	0.6
136.07581	0.8
137.05954	0.7
140.01064	0.9
141.05429	1.3
173.55312	0.5
174.99193	1.5
176.98938	1.7
180.40221	0.6
188.92375	0.6
197.11784	2.6
235.05983	0.6
253.15964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.5
57.07067	0.6
67.05498	0.7
68.99786	0.6
69.03404	0.4
70.02924	0.7
70.42029	0.9
70.42433	0.8
71.52829	0.4
79.05478	0.7
81.07049	0.8
84.04515	0.5
84.08113	1.2
85.02893	0.9
86.09682	0.5
87.00813	2.8
91.05479	1.7
93.07043	2.5
95.04956	0.5
97.02898	0.7
97.58151	0.4
98.03253	0.5
98.98454	37.1
103.05440	7.1
105.06990	0.7
107.04950	0.7
111.21099	0.4
116.99473	1.6
118.06526	8.3
120.08087	100.0
121.06479	0.8
121.08426	1.4
124.19046	0.5
128.04950	1.1
131.04851	0.6
133.10234	0.5
136.06174	10.7
144.08041	0.6
146.05986	17.2
147.01883	0.4
148.07512	0.5
160.07564	0.5
164.07068	0.6
166.08597	1.9
176.99017	0.5
188.07048	18.1
192.06520	1.0
192.10350	0.4
193.33864	0.5
206.08102	57.0
207.08447	1.4
234.07574	1.2
234.13284	1.0
234.83209	0.5
252.08755	1.1
252.12323	0.7
252.14427	4.8
252.19901	0.5
252.23116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2002
Annotation	roughanic acid
Peak:m/z	Relative Intensity
50.64347	0.6
51.43265	0.6
53.03945	1.0
55.01856	0.8
55.05504	8.9
57.03419	0.6
57.07065	2.2
62.13202	0.5
65.03934	2.8
65.86160	0.6
67.05496	100.0
69.07059	7.3
71.04984	1.9
71.67040	1.1
74.50930	0.5
79.05484	15.6
81.07046	88.1
82.07395	0.8
83.04972	2.4
83.08617	4.3
85.06535	1.7
87.04450	0.7
91.05475	5.8
93.07034	16.7
95.04951	1.6
95.08594	65.3
97.06519	1.5
97.10136	2.7
98.98454	91.7
99.08086	1.0
105.06995	3.9
107.08571	10.9
109.06485	0.9
109.10145	46.2
111.08054	1.0
116.99502	2.8
117.07005	1.6
119.08577	3.0
121.06477	0.9
121.10129	10.6
123.08075	1.6
123.11689	26.7
127.07544	0.9
131.08562	4.6
133.10097	4.3
135.08051	1.3
135.11665	8.9
137.09602	2.1
137.13226	6.3
139.11095	0.7
140.01045	2.0
145.10114	3.1
147.11664	1.8
149.09599	3.6
149.13222	5.6
151.11198	1.4
151.14827	1.0
159.11691	3.9
163.11166	3.7
163.14755	0.7
167.10603	2.1
168.91748	0.6
173.09631	0.5
173.13278	3.7
173.14578	0.8
174.99222	2.6
177.12703	3.2
181.10258	0.6
181.12193	4.2
187.14801	0.7
189.16306	0.9
191.14374	1.0
191.17877	2.0
195.13831	3.9
205.19484	1.2
209.13216	0.8
209.15225	2.8
214.95277	0.6
215.17903	5.1
233.18983	4.0
251.20047	37.0
252.20306	1.1
262.72476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2002
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03934	0.7
55.01866	0.8
55.05497	4.3
56.94823	0.4
56.96574	0.4
57.03440	0.5
57.07062	1.2
59.04965	0.6
65.03932	1.2
67.05496	43.2
69.07055	3.0
70.24772	1.8
71.04987	2.0
79.05477	11.5
79.05917	0.7
79.26415	0.4
81.07044	36.9
83.04969	1.7
83.08612	2.4
83.92854	0.4
85.06518	2.4
87.04443	0.5
91.05463	4.3
93.06424	0.5
93.07031	14.6
95.04946	2.2
95.08592	21.8
97.06523	2.1
97.10152	0.6
98.98454	100.0
99.08083	0.5
105.07001	3.7
107.04967	0.6
107.08578	8.4
109.06530	1.1
109.10143	8.9
111.04430	0.6
111.08065	1.0
116.99482	3.8
117.07011	1.3
119.08566	3.0
121.06451	1.0
121.10122	11.4
122.00062	0.5
123.08066	0.5
123.11675	5.4
125.05995	0.4
125.09627	0.7
129.05449	0.4
131.08542	3.3
133.10115	2.7
135.08015	1.2
135.11676	7.7
137.09589	0.6
137.13260	3.3
140.01079	2.3
143.30148	0.5
145.10101	3.4
147.11652	0.8
149.09630	3.7
149.13252	3.0
151.11214	0.6
152.04662	0.4
153.09056	0.6
153.12802	0.8
159.11655	3.0
163.11177	3.9
167.10660	1.7
173.13199	1.5
174.99210	3.7
177.12758	1.9
181.12186	2.7
184.92653	0.5
191.14287	0.8
191.17963	1.2
194.10855	0.5
195.11958	0.5
195.13698	2.2
205.19518	0.6
209.15233	0.7
215.17911	2.6
223.16904	0.6
233.15468	0.6
233.19012	1.9
237.70238	0.4
251.05244	0.8
251.10771	0.5
251.14261	0.8
251.16000	2.1
251.18076	0.5
251.20053	12.6
251.22594	0.7
261.56836	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2002
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03939	1.2
55.01884	0.7
55.05505	10.1
57.03431	0.7
57.07069	2.0
60.14094	0.5
65.03944	2.3
67.05496	100.0
68.05835	0.9
69.07061	8.3
71.04987	3.3
71.08637	0.5
79.05479	19.8
81.07045	92.0
82.07382	0.9
83.04975	1.8
83.08614	4.4
85.02869	0.5
85.06542	1.8
87.00780	0.6
91.05471	6.7
93.07031	22.8
95.04959	2.3
95.08595	71.0
96.08906	0.5
97.06525	2.4
97.10162	3.3
98.20640	1.1
98.98455	60.3
99.08089	0.7
105.07014	5.3
107.08579	16.4
109.06516	1.4
109.10143	47.0
111.08097	0.7
113.06056	0.7
116.99515	1.8
117.07017	2.5
119.08564	5.1
121.06497	1.4
121.10129	12.8
121.10966	0.9
123.08080	1.6
123.11691	23.9
127.07573	0.8
131.08553	7.0
133.10120	4.7
133.61470	0.6
135.08067	2.6
135.11676	13.4
137.09605	1.3
137.13239	7.2
139.11215	0.7
140.01083	1.0
145.10139	4.2
147.11667	2.2
149.09608	4.3
149.13235	5.1
151.11166	1.5
151.14833	1.1
153.09053	1.3
153.12767	0.9
159.11674	5.9
161.13301	0.6
163.11176	4.1
163.14845	0.5
165.12718	0.7
167.10695	1.8
173.13239	3.5
174.99196	1.7
175.14822	0.6
177.12759	3.9
179.08591	0.8
181.10025	0.6
181.12254	3.8
189.16423	1.1
191.14450	0.5
191.17924	4.4
195.11937	1.1
195.13754	5.4
205.19519	1.0
208.12512	0.6
209.15414	1.4
215.17949	5.7
221.13255	0.8
233.15303	0.7
233.18951	6.0
251.14233	1.3
251.17868	1.4
251.20041	37.5
252.20419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
53.03947	0.8
55.01864	0.7
55.05500	1.7
57.07074	2.5
59.04993	1.7
67.05507	3.1
69.03428	1.3
69.07060	1.8
70.06585	0.4
70.71384	0.4
71.04988	23.5
71.33419	0.8
77.80858	0.4
79.05482	3.0
81.03421	0.9
81.07053	4.7
83.04971	5.0
83.08615	1.1
84.08143	0.7
85.06547	1.2
91.05473	3.0
92.53069	0.4
93.07045	3.2
95.04971	5.8
95.08607	3.7
97.02852	0.5
97.06530	4.3
98.59399	0.4
98.98460	100.0
99.04417	0.5
105.07023	3.2
106.26906	0.4
107.04927	0.8
107.08589	4.3
109.06511	1.9
109.10149	3.0
111.08083	0.9
113.06035	0.8
116.99517	3.7
117.07013	1.2
119.08583	2.4
121.06490	1.8
121.10130	4.8
123.08038	2.6
123.11662	1.2
125.05089	0.9
125.05980	13.1
131.08530	2.1
133.06454	0.6
133.10149	1.1
135.08003	1.1
135.11662	1.3
137.09586	1.3
139.07594	0.5
139.11128	0.5
140.01076	1.3
145.10133	3.2
147.08017	0.9
147.11652	0.6
149.09581	3.1
151.07561	3.7
159.08000	0.8
159.11765	0.6
163.07520	0.7
163.11172	15.2
165.09103	0.5
167.10669	0.7
173.13187	0.9
174.99231	3.6
175.03870	0.4
175.11131	0.5
177.09119	1.5
178.08658	0.4
181.10551	0.6
181.12219	6.7
187.14761	1.0
189.12695	1.5
191.14288	0.5
195.10147	1.2
205.15909	0.8
215.14301	1.5
233.11624	0.5
233.15329	4.3
251.16397	24.8
252.16745	0.6
253.95619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	Heterophyllol
Peak:m/z	Relative Intensity
53.03924	1.3
55.05486	3.6
57.07062	6.1
59.04981	4.4
62.34382	1.0
67.05488	6.7
69.03416	7.0
69.07059	4.7
70.38007	0.9
70.72059	2.2
71.01331	1.4
71.04984	42.5
79.05482	5.1
81.07045	9.4
83.04980	8.5
83.08585	2.8
85.02888	0.9
85.06524	3.1
91.05482	7.0
93.07033	8.0
95.04951	10.2
95.08604	10.4
97.06534	7.5
98.98455	100.0
99.04384	1.6
105.07026	7.6
107.04883	1.4
107.08571	10.4
109.06522	4.7
109.10139	10.4
111.08076	4.8
113.05962	4.0
116.99461	3.8
117.07008	2.6
119.08570	15.8
121.06480	3.2
121.10136	16.3
123.08064	8.2
123.11674	4.4
125.05093	1.4
125.05972	20.4
129.06964	1.3
130.07774	1.2
131.08578	5.8
133.06447	1.3
133.10097	5.0
133.46750	1.0
135.08020	2.5
135.11655	4.5
137.09581	19.7
145.10109	10.5
145.88440	1.1
147.08028	26.4
147.11661	5.4
149.09601	5.8
149.13220	1.1
151.07520	6.1
151.11211	1.2
151.14816	1.1
153.09068	2.5
157.10141	1.8
159.08022	1.7
159.11652	2.1
161.13196	1.9
163.11166	40.1
163.14783	1.4
165.09070	2.2
171.11580	1.0
173.09604	2.1
173.13225	2.9
174.99217	4.1
175.11171	8.1
177.09084	2.3
179.14290	15.3
181.12219	12.6
187.14786	3.8
189.12708	1.8
191.14253	4.3
193.12207	2.4
195.10098	3.1
197.13252	1.5
205.15833	4.1
207.13765	4.2
215.14328	5.5
230.08264	1.1
233.15335	21.0
251.16393	43.7
252.16597	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	Deodardione
Peak:m/z	Relative Intensity
55.01851	0.4
55.05266	0.6
55.05505	6.4
56.20566	0.4
56.96547	0.6
57.07091	0.4
59.04998	0.8
59.66861	0.5
67.05492	2.4
69.03418	0.8
69.06731	0.6
69.07061	8.0
70.66602	1.0
71.04966	0.7
79.05488	5.1
81.03396	0.4
81.07052	4.9
83.04974	9.8
83.08597	1.0
85.06519	0.5
86.39659	0.5
91.05470	3.6
93.07033	22.9
94.07344	0.6
95.04945	1.5
95.08599	4.1
97.06526	1.6
98.98455	40.8
105.07016	5.2
107.08573	4.1
109.06504	2.6
109.10159	1.3
111.04432	10.2
111.11710	2.8
116.99466	1.2
119.08550	2.2
119.15063	0.5
121.06487	1.2
121.10130	34.9
123.08029	2.5
123.11658	0.9
125.05970	0.5
125.09576	1.0
131.08540	1.1
133.10110	1.2
135.08035	0.9
137.06004	0.6
137.09621	0.9
139.11162	1.5
145.10112	1.1
147.07959	0.6
147.11659	0.7
149.08459	0.9
149.09604	12.0
157.10114	0.4
159.08006	0.6
159.11682	0.5
167.10660	100.0
168.11032	1.5
173.13275	0.6
174.99217	1.3
175.11142	1.2
189.12779	0.6
193.12189	0.6
209.15369	0.8
233.15445	1.3
251.16403	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
62.85343	0.1
63.29036	0.2
67.01845	1.2
70.27483	0.3
70.27918	0.7
81.07027	0.3
85.02869	0.2
87.95506	0.2
88.07621	0.9
94.04045	0.4
97.02898	0.3
98.98457	11.9
107.08390	0.2
116.99481	0.6
119.03526	0.8
136.06172	100.0
137.04626	0.4
137.06523	0.6
164.56668	0.2
174.99208	0.2
250.09308	12.3
250.21608	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
61.02899	0.9
69.03410	2.5
70.06592	3.4
71.13040	0.7
71.13371	0.9
72.08164	0.8
81.03417	1.2
81.09007	0.5
85.02897	18.5
87.68898	0.4
88.07619	100.0
89.07887	0.6
91.03941	0.6
97.02878	3.8
98.98457	39.9
109.02886	1.7
113.23954	0.5
116.99512	1.6
118.94415	0.5
127.03890	2.7
134.56363	0.4
136.06169	12.8
136.20720	0.4
137.36130	0.4
145.04962	1.1
174.99246	1.2
202.05893	0.5
250.09389	1.5
250.12985	1.3
253.21384	0.5
260.67899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01874	0.7
55.05501	0.9
57.03428	1.3
61.02903	0.6
69.03429	2.8
70.06581	2.1
70.73747	1.1
71.05009	0.6
72.08152	0.4
78.84782	0.4
81.03426	1.0
81.07088	0.6
84.04475	0.8
85.02903	19.2
88.07623	100.0
89.07948	0.5
92.31567	0.5
97.02881	4.1
97.06520	0.5
97.39307	0.4
98.98460	62.9
99.04478	0.8
107.00129	0.5
109.02869	1.9
116.98731	0.5
116.99502	1.6
120.26775	0.5
127.03872	2.8
136.06183	7.6
145.04977	0.9
174.99181	2.7
183.33421	0.5
250.09259	1.2
250.13026	2.0
250.21689	0.7
255.44348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1295
Annotation	1-O-ethyl-N-acetyl-beta-D-glucosamine
Peak:m/z	Relative Intensity
53.13157	0.4
55.05506	0.8
56.96560	0.5
67.05505	0.8
68.10725	0.5
69.03419	0.5
69.07056	3.6
70.06586	1.0
71.04996	0.5
71.74107	0.8
73.06588	0.4
79.05491	1.0
81.07026	0.7
81.43198	0.5
82.14961	0.5
84.04489	0.7
84.08141	0.9
85.02863	0.7
86.09682	0.7
88.07627	1.0
91.05519	0.7
93.07022	0.9
94.04032	0.7
95.04975	0.6
97.02886	1.5
97.06509	2.1
98.98453	61.5
105.07017	0.6
107.08623	0.5
109.24171	0.5
110.07079	0.5
116.99490	2.2
119.03520	0.9
136.06165	100.0
137.04559	1.6
137.06569	0.8
140.01060	1.3
152.05664	1.6
170.79343	0.5
174.07790	1.2
174.99217	1.9
248.38213	0.5
250.12947	87.4
251.13142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1847
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03932	4.1
55.05502	20.2
57.07072	2.0
65.03912	3.1
67.05499	30.3
69.07065	18.0
70.14639	3.1
70.15034	4.3
71.04969	4.9
73.06525	1.8
76.28844	1.6
79.05484	100.0
81.06592	2.8
81.07045	37.6
83.04967	2.0
83.08601	9.0
83.76492	1.4
85.06545	2.8
87.04416	1.6
91.05472	40.1
93.07034	99.3
95.04955	9.5
95.08589	25.1
97.06510	3.5
105.04514	1.9
105.07020	29.0
107.07901	2.9
107.08584	44.8
107.09315	2.4
107.76184	1.4
109.06497	4.8
109.10156	11.6
117.06989	5.7
119.08568	23.8
121.06464	1.6
121.10132	47.0
123.08077	3.9
123.11684	2.3
129.06970	3.4
131.08566	7.9
133.10110	27.5
135.08078	3.0
135.11682	40.5
143.08559	4.3
145.10078	9.0
145.87263	1.7
147.07977	2.8
147.11650	23.0
149.09569	3.5
149.13258	9.9
157.10088	4.7
159.11682	2.4
161.09575	5.0
161.13263	2.8
165.09056	1.9
171.11658	7.8
175.11185	5.0
185.13264	4.1
187.14864	3.7
189.12709	4.5
189.16379	11.2
193.12216	4.3
203.14340	3.3
203.18001	3.0
207.13829	3.7
213.16403	8.5
231.17392	6.7
249.18471	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1847
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
50.84937	1.0
53.03928	3.6
53.79472	0.8
55.01852	2.5
55.05506	10.1
57.07058	3.5
67.05502	12.8
69.03414	2.1
69.07061	22.3
69.42411	8.3
69.42829	1.8
71.08617	1.2
75.04459	1.7
79.05496	7.2
81.03412	9.1
81.07043	16.5
83.04969	5.9
83.08604	4.7
85.06516	1.0
85.08160	1.0
87.04451	1.2
91.05469	7.8
93.07025	10.9
95.04960	7.9
95.08595	15.6
97.06509	2.6
97.10148	1.9
101.06003	1.8
105.07021	20.6
107.08582	15.7
109.06494	3.4
109.10148	11.1
115.05338	1.1
115.07550	1.5
117.07023	2.2
119.08567	30.7
121.06493	2.4
121.10133	11.6
123.04358	0.9
123.08031	3.2
123.11697	5.2
125.05960	2.5
125.09612	1.6
128.06203	1.2
131.08568	5.9
133.06512	1.2
133.09157	1.8
133.10117	23.0
133.91641	0.8
135.08018	2.7
135.11659	7.3
137.05980	1.4
137.09625	1.1
137.13197	1.0
139.07520	4.4
142.07738	2.0
143.08545	3.9
145.10124	8.2
147.08041	2.5
147.11668	12.1
149.09654	4.4
149.13258	2.4
151.07503	1.0
151.11166	4.2
153.09079	1.8
157.10165	6.8
159.11681	3.7
160.08752	1.0
161.09601	11.3
161.13223	4.7
161.25444	1.0
163.11070	1.9
163.14774	1.1
165.09138	1.2
165.12811	1.9
167.10664	3.5
171.11639	2.9
173.09631	0.8
173.13240	7.7
175.11203	6.4
175.14809	13.6
179.10625	2.9
179.14183	1.1
180.11284	1.2
184.36868	0.9
185.13319	1.5
187.14795	2.9
189.12657	1.4
189.16415	5.8
191.17805	1.0
193.12207	9.5
198.14020	1.1
203.17929	3.8
207.12073	1.0
207.13837	5.6
213.16327	7.7
231.13866	1.7
231.17403	15.7
231.20996	1.2
249.18477	100.0
249.22066	9.1
250.18871	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.9
53.03936	5.9
55.01854	2.4
55.05505	20.7
56.96557	1.1
57.07053	3.0
59.04985	1.2
64.76384	0.8
65.03918	1.3
67.05499	27.3
69.03411	1.5
69.07061	20.1
71.04967	3.6
71.35812	1.0
71.36145	1.5
73.06547	2.0
77.03915	1.6
79.05485	77.7
79.23824	0.8
81.03366	1.0
81.07047	35.5
83.04969	2.4
83.08613	10.9
85.06522	3.0
91.05474	39.2
93.07032	100.0
94.07325	1.0
95.04968	8.1
95.07993	1.7
95.08595	28.1
97.06509	3.6
97.10182	2.0
99.08100	1.0
101.05991	1.0
104.09739	0.8
105.04488	1.8
105.07016	30.3
107.04969	1.6
107.08581	59.6
108.08906	1.2
109.06505	4.6
109.10143	7.8
111.08064	1.8
113.05982	1.3
117.06987	3.1
119.08565	23.5
121.06519	2.2
121.10130	52.6
123.08063	3.2
123.11655	2.8
125.74388	0.8
127.07504	1.8
129.06982	3.4
131.08563	6.2
133.06433	1.0
133.10110	21.9
135.08038	2.3
135.11676	37.5
137.09595	1.9
138.05460	1.3
143.08527	4.0
145.10124	5.6
147.08043	3.6
147.10555	1.5
147.11671	20.1
149.09587	3.0
149.13232	8.5
157.10092	5.4
159.11665	2.6
161.09557	3.5
161.13191	2.9
163.11128	1.4
167.10629	2.3
171.11661	6.4
175.11206	5.3
179.10591	1.5
181.12184	1.3
185.13274	3.5
187.14830	1.7
189.12790	4.3
189.14760	1.2
189.16313	6.5
193.12236	6.0
203.14168	3.8
203.17888	2.0
207.13803	3.3
213.16376	7.0
231.13890	1.8
231.17400	6.2
249.18483	65.0
250.18851	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1848
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03947	4.6
53.14574	0.7
55.01862	2.3
55.05506	20.7
56.96568	0.8
57.07058	3.6
59.05016	0.7
65.03926	1.2
67.05494	24.9
69.03406	1.3
69.07061	18.7
69.99312	4.2
71.04987	4.6
73.06552	1.9
74.15875	0.6
77.03929	1.0
78.04720	0.7
79.05485	70.9
80.05788	0.9
81.03395	1.1
81.07048	31.7
83.04980	4.0
83.08616	8.8
85.02883	1.2
85.06536	4.1
91.05011	0.7
91.05469	37.1
93.07034	100.0
94.07366	1.0
95.04967	10.7
95.08599	26.3
97.06521	3.3
97.10162	1.5
99.04433	0.9
99.08095	1.0
101.06016	1.7
105.04505	1.7
105.07016	29.7
105.07714	1.6
106.34068	0.8
107.04942	1.0
107.08580	53.3
108.08954	0.8
109.06516	4.8
109.10147	8.1
111.08066	2.1
113.06010	1.3
117.07021	4.2
117.21136	0.7
119.06080	0.7
119.08571	22.9
121.06541	0.9
121.10131	48.5
122.10447	0.8
123.04427	1.0
123.08047	2.6
123.11691	2.8
127.07535	1.2
129.06979	4.4
131.08566	8.3
133.06471	1.4
133.10112	25.1
135.08035	2.9
135.11679	32.9
136.12047	0.8
136.87553	0.7
137.09602	2.6
138.05476	3.8
142.07739	0.8
143.08530	3.5
145.10114	7.1
147.08031	2.7
147.11662	21.7
148.11943	0.8
149.09601	3.5
149.13271	7.6
151.07523	0.8
151.11191	1.0
153.09039	1.3
157.10112	6.5
159.11664	2.8
161.09637	5.7
161.13174	2.3
163.11169	2.1
167.10669	3.0
171.11661	5.9
175.11111	5.2
175.91989	0.7
179.10612	1.6
185.13251	3.2
187.14836	2.4
189.12770	2.9
189.16345	6.2
193.12244	4.0
194.11816	1.1
203.14362	3.0
203.18030	3.7
205.10210	0.8
207.12091	0.8
207.13745	4.0
213.16324	6.1
231.13762	1.7
231.17380	6.4
249.14513	1.8
249.18492	61.3
250.18568	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1482
Annotation	loxoprofen active metabolite
Peak:m/z	Relative Intensity
53.03944	3.4
55.01864	5.1
55.05500	10.6
55.97703	2.2
57.07064	6.4
58.07391	2.3
59.04990	2.5
65.03906	2.3
67.05500	14.5
68.36555	2.3
69.03423	9.8
69.07059	11.4
69.43272	23.2
70.06591	4.5
71.04984	3.3
79.05478	21.0
81.03421	6.9
81.07053	40.8
83.08614	4.9
85.02901	10.3
85.06557	3.2
87.00800	4.2
88.07604	4.6
91.05470	30.5
93.07038	22.5
95.04971	11.5
95.08607	24.3
97.02877	10.0
97.06522	4.9
98.21417	4.3
99.04450	4.5
99.13274	2.4
102.50719	2.9
103.05489	3.0
105.07027	47.5
107.04933	6.4
107.08572	18.1
107.27422	2.8
108.09072	3.1
109.02859	3.0
109.06493	7.0
109.10141	8.4
110.07143	3.7
111.08089	6.2
117.07002	19.1
119.08570	39.4
121.06512	9.1
121.10124	8.2
123.04394	4.4
123.08043	4.2
123.11768	3.9
127.03915	5.8
128.06200	14.0
129.06999	29.8
131.08551	32.7
133.06523	4.9
133.10095	16.5
135.08044	5.5
135.11667	4.4
137.05956	5.6
141.07002	3.1
142.07779	18.4
143.08553	52.1
144.09319	3.0
145.06540	2.8
145.10115	27.7
147.08003	11.7
147.11682	9.7
149.06033	2.8
151.07538	8.7
155.08571	8.2
156.09329	7.2
157.06505	11.2
157.10118	32.6
159.08080	5.0
159.11670	25.4
161.09616	12.1
161.13235	10.3
162.09047	2.6
163.07552	3.6
164.50539	3.0
165.06992	10.8
167.08568	3.3
168.09378	2.9
169.10086	4.2
170.10904	6.1
171.08112	10.2
171.11613	6.2
175.07516	11.9
175.11208	5.6
175.14854	7.7
179.08519	2.9
180.09344	10.1
185.13235	100.0
186.13560	4.9
187.14713	5.0
189.09105	11.5
189.12770	5.9
191.10678	3.1
195.11670	26.0
203.10646	4.3
203.14302	21.9
203.17949	10.8
205.12230	3.4
213.12737	21.7
231.13802	45.3
231.17410	3.2
231.23993	4.0
249.12630	4.9
249.14749	31.9
249.18564	12.9
249.25153	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	20.6
57.03426	10.1
61.02923	8.6
62.82606	5.1
69.03415	16.3
71.25281	9.2
72.08153	32.8
73.02917	9.7
74.06075	9.1
84.04510	5.5
85.02901	25.9
94.92451	8.7
94.93005	100.0
97.02872	15.9
98.97575	21.1
101.00829	6.5
103.02409	11.0
116.98569	18.9
118.55228	5.6
119.01926	31.1
121.01638	20.9
127.03996	6.9
128.98552	5.3
130.08693	5.6
131.01881	18.1
133.03445	20.9
134.06021	10.9
134.99670	17.0
137.02989	7.5
139.02681	6.1
143.01903	9.2
145.03476	8.8
146.99600	9.6
147.01379	7.8
147.03122	7.7
148.06059	5.7
149.01164	13.9
149.02957	7.3
151.04565	14.3
157.03453	15.8
158.99586	6.9
159.04951	8.2
161.02934	18.0
163.02692	8.3
167.02173	6.9
173.02933	6.8
174.99081	7.6
175.04582	7.7
177.00705	14.4
177.02434	5.7
187.04457	22.0
189.00732	13.0
203.02142	7.9
203.04013	17.2
206.88580	23.7
207.01852	8.0
217.00211	8.4
226.05659	7.4
231.03558	19.7
231.13747	6.8
232.03775	8.8
248.89636	12.8
249.03786	23.0
249.11047	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2053
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
52.54964	1.4
55.05503	12.4
57.07053	6.1
61.62321	1.6
63.39704	1.5
64.21784	1.5
65.05360	1.6
67.05496	17.1
69.03411	5.5
69.07063	21.6
70.31027	5.4
79.05471	11.4
81.07045	66.7
83.04964	5.7
83.08615	9.9
85.06520	2.5
91.05461	11.1
93.07030	21.9
95.04960	5.5
95.08596	56.2
97.06488	3.4
97.10155	7.3
105.07016	30.6
107.08579	22.7
109.06484	6.9
109.10145	24.0
111.08073	4.3
117.07001	7.9
119.08565	26.7
121.06490	3.1
121.10126	25.7
123.08055	8.3
123.11691	10.1
125.09597	1.8
127.67989	1.3
128.06221	2.1
128.63852	1.6
129.06941	2.1
131.08537	15.7
133.10106	25.0
135.11678	12.9
137.09547	2.4
137.13217	25.4
139.11115	2.5
143.08543	6.3
144.09332	2.6
145.06371	2.3
145.10112	17.2
147.11655	21.5
148.53525	1.5
149.09625	1.8
149.13234	7.2
151.11140	6.2
157.10159	2.3
159.11665	43.2
161.13239	9.0
163.14857	2.7
164.55255	1.4
165.12727	5.7
173.13249	32.5
175.03859	5.5
175.14749	2.3
177.12738	3.2
183.11668	2.6
187.11188	5.1
187.14772	7.6
189.09076	1.9
189.16389	6.1
191.14252	4.0
201.12714	4.8
201.16344	3.4
229.12189	5.9
229.19489	100.0
230.19713	2.1
236.45972	1.4
247.13269	4.9
247.20567	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1642
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
51.00266	0.2
52.87077	0.2
53.03927	0.2
55.01860	0.3
55.05495	0.3
57.07066	0.2
67.05519	0.5
69.03398	1.1
69.07047	0.5
70.06571	0.3
71.33186	0.2
71.74695	0.3
73.02908	0.2
79.05486	0.3
80.04992	0.4
81.03387	1.0
81.07031	0.6
83.04994	0.3
84.04478	0.3
85.02882	0.9
87.00780	0.4
88.83276	0.2
91.05429	0.7
92.05819	0.2
93.07039	0.4
94.07355	0.3
95.04929	0.7
97.02865	1.0
98.06020	0.5
98.97561	0.3
105.07000	1.1
106.07322	0.3
107.08578	0.3
108.04456	1.1
109.02860	0.7
109.06487	0.3
116.98620	0.3
117.05742	0.6
118.06532	6.1
119.08567	0.5
120.08894	0.3
126.05471	0.7
127.03928	0.5
131.07292	0.5
131.08539	0.5
132.08043	2.7
132.08905	0.4
133.08804	0.9
133.09970	0.2
134.09616	0.6
136.11945	0.2
143.08580	0.3
144.08929	0.4
146.06827	0.3
146.09601	2.4
146.10533	0.3
147.07970	0.6
147.11537	0.3
159.11575	0.3
160.11180	0.8
161.13200	0.3
171.22676	0.3
174.12740	1.1
175.07599	0.3
176.04210	0.4
176.14326	13.7
184.11998	0.5
187.11127	0.3
188.11504	0.7
189.09167	0.3
190.08586	13.7
191.09169	0.6
193.08519	0.4
202.13057	0.8
202.15869	3.2
203.16647	1.1
204.10167	7.0
205.10915	1.6
218.11728	5.3
230.12489	1.7
232.13298	0.5
248.16425	100.0
249.14597	0.5
249.16756	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.5
53.03934	3.5
55.01857	2.3
55.05507	11.6
57.07066	5.2
65.03922	4.9
67.05495	13.0
67.06770	1.1
69.07059	5.4
69.25727	1.3
70.13309	2.5
70.13707	3.2
71.04982	13.0
71.13133	1.1
79.01840	2.1
79.05482	28.5
81.07048	12.1
83.04946	3.1
83.08619	2.3
85.06544	11.6
91.05467	17.0
91.16104	1.2
93.03403	6.1
93.07033	22.2
95.04943	6.6
95.08624	6.1
97.06502	4.6
104.10722	1.9
105.07011	12.0
107.04921	12.2
107.08569	10.3
109.06506	10.0
109.10141	2.5
111.08066	3.4
117.07004	6.7
119.08587	6.9
121.06498	6.9
121.10124	7.1
121.97773	0.9
128.06229	3.2
128.25095	1.4
129.07002	2.6
131.04901	1.1
131.08562	12.8
133.10124	4.3
135.08022	6.2
135.11662	2.2
137.09573	2.2
142.07800	1.1
143.08566	5.8
145.06454	1.3
145.10135	9.6
147.04402	1.3
147.11681	2.1
149.09596	21.7
149.13231	2.3
155.08560	2.2
157.10146	1.9
159.08063	1.9
159.11670	7.3
161.09691	2.2
162.02280	1.2
163.11183	9.3
163.12369	1.3
163.14804	2.2
168.09338	1.2
169.09979	1.7
171.07999	1.9
173.13242	5.1
175.03908	6.2
175.11139	1.0
175.14803	2.5
177.12715	1.4
183.11658	3.8
187.11177	7.3
187.14882	1.4
189.09129	3.8
191.14290	8.2
201.12714	4.8
201.16298	1.8
203.17958	2.2
229.12224	8.5
229.19516	5.1
247.09581	1.9
247.13342	4.3
247.20555	100.0
248.20953	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1689
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03925	3.2
55.01837	1.6
55.05501	9.7
57.03408	2.0
57.07061	2.8
67.05494	23.7
69.07067	9.0
70.40739	3.1
70.41126	3.9
71.04974	2.4
72.08121	2.5
79.05479	40.8
79.89139	1.9
81.03394	2.9
81.07044	32.8
83.04951	3.5
83.08592	4.3
85.02853	1.6
85.06540	1.9
91.05463	42.7
91.12405	1.5
93.07027	38.8
95.04945	7.4
95.08603	16.1
97.06500	5.1
103.05430	3.8
105.07017	41.7
107.04924	6.9
107.08578	26.1
107.76964	1.8
109.06475	6.7
109.10146	10.6
111.08035	1.9
115.05414	3.9
117.07005	30.1
119.04919	2.4
119.08563	30.8
120.08075	2.3
121.06465	5.3
121.10123	14.0
123.08079	1.7
123.11656	1.6
128.06186	10.5
129.06989	9.4
130.07742	6.0
131.04880	1.9
131.08546	65.8
133.06479	2.3
133.09164	2.4
133.10106	34.5
135.08057	5.1
135.11638	2.2
137.09613	1.9
141.06952	4.6
142.07745	3.0
143.08539	19.6
144.09373	2.0
145.06471	5.8
145.10103	43.8
147.04378	3.9
147.08009	5.7
147.11667	9.0
149.09593	20.5
153.06894	2.3
155.08568	6.8
157.10098	12.3
159.08109	8.8
159.11670	37.4
161.09572	3.5
161.13226	2.9
163.07526	1.8
163.11157	3.2
165.09048	2.9
168.09312	3.8
169.10103	6.1
171.08017	3.4
171.11682	2.4
172.08759	1.8
172.12486	1.8
173.09587	3.4
173.13226	25.1
175.03925	16.5
175.11214	3.4
177.09079	4.4
183.11703	12.3
185.13205	16.3
187.07555	4.2
187.11171	28.8
187.14804	5.5
189.09097	8.9
191.10626	2.7
201.12704	19.3
201.16357	100.0
202.16742	1.9
205.12224	5.2
211.11259	2.7
211.14752	9.7
214.47173	2.1
219.17224	1.8
229.08481	4.9
229.12239	28.6
229.15811	34.9
247.06020	3.1
247.09616	4.5
247.13121	14.8
247.16907	80.0
247.24451	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1691
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03929	3.5
55.01864	6.1
55.05503	11.5
57.03413	2.7
57.07052	3.5
65.03921	2.5
67.05180	1.6
67.05499	20.3
69.03411	3.0
69.07063	14.4
70.18884	3.6
71.04972	3.3
76.65442	1.3
79.05486	29.2
81.03397	3.0
81.07046	43.5
83.04968	6.1
83.08596	4.7
85.06520	2.7
91.04913	2.4
91.05470	45.4
93.07033	23.1
95.04965	10.2
95.08594	16.6
97.02888	1.3
97.06531	7.8
98.20849	2.0
98.98461	1.8
99.08058	3.3
101.31385	1.4
103.05428	3.6
104.06312	1.1
105.07021	54.7
107.04941	7.5
107.08578	21.4
109.06508	19.2
109.10145	6.4
111.08071	3.0
115.05415	4.7
116.06200	1.6
117.07002	22.9
119.04898	2.1
119.08572	32.4
121.02850	10.7
121.06481	7.5
121.10118	11.1
123.04353	1.8
123.08039	4.2
125.09682	2.1
128.06181	8.3
129.06985	7.9
130.07788	3.7
131.04935	1.5
131.08551	35.1
133.06476	3.8
133.10110	25.9
134.17570	1.3
135.04364	1.2
135.08051	17.2
135.11676	5.5
137.05981	1.5
137.09602	5.5
139.03914	3.0
141.06981	6.4
142.07755	3.6
143.08549	21.5
144.05763	1.8
144.09331	3.0
145.06448	5.6
145.10117	37.2
146.16568	1.2
147.04404	5.6
147.08028	7.6
147.11642	11.3
149.05969	2.2
149.09621	16.3
151.11240	1.6
153.06993	1.6
154.07819	2.3
155.08540	7.5
157.10144	9.6
158.10928	1.5
159.08054	9.6
159.11690	17.7
161.06096	1.6
161.09615	6.1
161.13229	2.8
163.11154	5.2
165.09090	2.3
168.09357	6.2
169.10115	9.7
171.08029	3.6
171.11711	2.3
173.05952	2.7
173.09608	7.9
173.13271	7.1
175.03891	17.2
175.11122	4.1
177.09068	3.8
183.11656	15.9
185.13228	6.4
187.07539	4.2
187.11162	23.3
187.14798	10.8
189.09048	11.3
191.10678	3.4
191.14333	1.9
201.12724	18.5
201.16365	14.0
203.10812	1.5
205.12274	3.4
205.15807	2.0
211.11192	4.4
211.14825	8.6
219.13840	2.8
219.17368	2.3
229.08630	2.9
229.12244	29.7
229.15800	23.3
230.12540	1.4
247.05923	1.9
247.09647	4.5
247.13226	18.0
247.16913	100.0
247.24413	5.8
248.17136	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.169
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03936	4.4
55.01861	9.6
55.05500	10.5
56.96560	13.8
57.03419	8.7
57.07064	6.8
59.04961	2.9
61.02923	3.6
65.03937	2.9
67.05495	17.5
69.03413	18.5
69.07054	15.2
69.86796	14.5
71.04990	4.2
73.02903	10.9
74.97551	2.3
79.05479	23.3
81.03412	7.7
81.07050	38.5
81.56550	2.2
83.04972	10.6
83.08604	6.4
84.96036	3.1
85.02459	2.3
85.02895	15.3
85.06532	7.4
91.05468	39.0
93.07034	32.8
95.04966	25.9
95.08598	30.3
97.02882	5.5
97.06533	9.5
98.21353	2.5
98.97554	11.1
98.98473	4.1
99.04443	4.3
103.05440	3.6
105.07022	57.0
107.04969	5.8
107.08585	29.2
108.04463	6.3
109.02879	9.4
109.06513	19.3
109.10149	10.9
110.97532	2.0
111.04427	3.8
115.03872	2.9
115.05440	8.9
116.06184	3.0
116.98615	10.5
117.07011	28.6
119.04977	3.3
119.08569	46.7
121.06513	11.1
121.10136	28.1
121.52688	3.5
123.04371	1.9
123.08057	7.0
123.11701	5.0
125.05981	2.4
126.05544	3.1
128.06224	12.2
129.07005	15.4
130.07732	12.2
131.04877	3.7
131.08559	43.8
133.06551	4.4
133.10124	29.1
134.99667	6.3
135.08051	18.9
135.11673	9.0
137.05956	2.8
137.09566	4.2
141.07004	6.0
142.07755	5.0
143.08551	31.4
144.09355	6.0
145.06476	11.2
145.10107	67.1
146.99590	3.6
147.04369	5.1
147.08043	23.0
147.11656	15.6
149.06004	2.4
149.09613	18.3
149.13220	2.2
150.06779	5.5
151.11221	3.1
153.07024	2.1
155.08580	11.5
155.86281	2.1
156.09308	3.6
157.10074	11.4
158.07303	3.3
159.08054	20.8
159.11681	40.8
161.01210	4.8
161.05984	3.0
161.09587	10.6
161.13239	7.6
163.03975	2.6
163.07585	2.9
163.11150	14.1
165.09081	4.5
168.09329	6.1
169.10115	12.3
170.10857	3.6
171.08047	5.2
171.11676	7.8
173.05991	6.4
173.09598	31.6
173.13274	14.9
175.03914	19.5
175.11191	6.5
177.09177	2.3
181.10130	4.9
182.10950	3.0
183.04901	6.2
183.11642	16.5
185.09579	2.3
185.13243	12.6
186.10327	3.4
187.07565	6.7
187.11156	42.5
187.14766	13.5
189.09064	17.6
189.12752	3.6
191.10651	12.7
192.05417	11.0
192.55582	3.8
196.12489	6.6
199.11212	8.5
201.05966	11.7
201.09222	2.1
201.12764	27.5
201.16385	13.7
203.10617	2.4
203.14296	4.3
203.56349	3.2
205.12241	3.1
205.15869	3.0
205.52783	2.7
206.02536	4.6
211.11195	4.4
211.14742	13.3
214.13538	8.6
214.53499	6.6
219.01701	2.4
219.13869	3.2
223.02702	5.0
224.03548	27.6
226.04738	5.0
226.54576	2.9
229.08670	4.5
229.12234	46.0
229.15833	42.2
229.19411	2.7
235.05421	11.7
239.05859	20.7
240.06145	2.5
242.04744	11.5
246.56146	2.6
247.02383	2.6
247.09706	12.0
247.13293	33.9
247.16927	100.0
257.06876	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.169
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.18036	0.9
50.52065	0.9
53.03929	1.1
54.75837	1.0
55.01872	6.4
55.05511	10.1
57.03427	1.9
65.03924	2.7
67.05500	18.9
69.03408	2.5
69.07059	15.2
70.35749	2.1
70.36139	2.4
70.48532	0.9
71.04964	3.0
79.05486	24.2
81.07047	28.6
83.04961	4.1
83.08604	5.1
85.06521	2.5
91.05471	36.3
93.06495	1.7
93.07036	22.3
95.04967	9.7
95.08593	10.9
97.06520	9.2
99.08060	2.6
103.05468	1.6
105.07019	47.7
107.04950	8.5
107.08576	16.3
109.06492	7.5
109.10120	3.2
111.08067	3.2
113.05951	1.6
115.05427	2.8
117.07002	20.0
119.04879	1.2
119.07727	1.5
119.08573	29.2
121.06491	6.1
121.10134	7.5
123.08057	5.2
125.09603	1.3
128.06206	3.9
129.07007	6.5
130.07779	2.0
131.07634	1.9
131.08560	25.9
133.06438	2.7
133.10115	25.2
135.08047	12.4
135.11652	3.6
137.09593	5.5
141.06990	4.3
143.08562	11.1
144.09319	1.5
145.06444	2.9
145.10114	33.1
147.08040	5.8
147.11664	9.7
148.33568	1.1
149.09607	14.6
151.11127	2.9
154.07780	1.4
155.08530	4.6
157.10115	4.7
159.08035	4.7
159.11673	11.9
161.09627	3.4
161.13200	2.5
163.11159	6.5
165.09100	3.3
168.09305	1.6
169.10138	7.5
171.11635	2.1
173.09628	5.6
173.13187	5.5
175.03876	3.8
175.11165	2.5
177.09129	2.1
183.11662	7.4
185.13226	6.3
187.07481	1.4
187.11182	11.2
187.14798	12.0
189.09065	2.9
191.10683	2.0
201.12700	7.2
201.16374	13.8
203.14253	1.5
205.12231	2.4
211.11366	1.1
211.14787	8.8
219.17393	4.1
229.08534	1.5
229.12326	9.2
229.15829	25.9
247.09589	2.7
247.13338	5.0
247.16917	100.0
248.17220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1689
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05502	1.7
63.37123	0.4
65.03961	0.4
67.05505	2.5
69.07055	4.4
70.00253	1.5
70.00682	0.9
79.05476	2.8
81.07043	4.9
83.08626	0.6
91.05457	4.7
93.07031	4.9
95.04985	0.6
95.08589	4.1
97.06497	0.6
98.21426	0.5
98.98418	0.5
103.05453	0.5
105.07014	11.9
107.08569	6.4
109.06524	0.7
109.10121	1.2
115.05486	0.9
117.06995	2.6
119.08563	7.2
121.06474	0.8
121.10128	2.6
128.06187	1.6
129.07008	1.0
130.07780	1.1
131.04907	0.4
131.08551	11.6
131.09543	0.6
133.10112	17.8
135.08049	0.8
135.11656	1.0
137.09526	0.6
141.06894	0.6
142.07678	0.5
143.08545	3.9
144.09349	0.8
145.06467	0.9
145.10103	21.8
146.10757	0.6
147.04398	0.9
147.11668	3.3
149.05891	0.5
149.09589	0.7
155.08551	0.7
157.10136	1.5
158.10675	0.4
159.08051	1.4
159.11670	10.4
161.09567	1.6
161.13217	1.6
163.11232	0.8
168.09221	0.9
169.10094	0.7
171.07921	0.7
171.11658	0.9
172.12375	0.7
173.05962	0.9
173.09595	1.4
173.13237	6.0
175.03864	4.2
175.11143	0.5
177.09073	0.8
179.10706	2.1
183.11649	2.4
186.13997	1.6
187.07495	1.0
187.11145	3.7
189.09091	2.1
191.10600	2.9
199.14758	0.7
201.12639	3.4
201.16357	100.0
202.16728	2.1
203.17897	2.2
204.57053	0.4
205.12216	0.5
211.11160	0.6
219.17395	4.0
229.08624	0.4
229.12216	5.1
229.15807	1.4
247.09673	1.0
247.13170	3.4
247.16899	23.8
247.20677	0.7
247.24515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.169
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
54.95120	0.5
55.05507	1.6
57.07056	0.5
57.42049	0.4
67.05516	2.4
68.09209	0.5
69.07061	4.8
69.67288	3.9
71.74487	0.5
76.11697	0.5
79.05469	2.4
81.07056	4.4
83.08622	0.6
84.52557	0.5
91.05472	4.9
93.07037	5.4
95.04967	1.1
95.08587	4.4
98.21423	0.6
102.06803	0.5
105.07029	10.6
107.08593	6.1
109.06547	0.8
109.10140	1.8
115.05460	1.0
117.07016	3.0
119.08574	7.1
121.06454	1.1
121.10135	2.0
125.06030	0.7
126.11031	0.5
128.06219	1.4
129.06976	1.6
130.07735	0.7
130.36070	0.5
131.08551	12.6
131.09560	0.6
133.06537	0.6
133.10118	18.4
135.08066	0.6
135.11644	0.8
141.06995	0.7
142.07750	1.1
143.08548	3.9
144.09337	0.9
145.06464	0.9
145.08949	1.2
145.10109	24.1
146.10721	0.8
147.04422	1.0
147.08040	0.9
147.11681	2.4
147.61583	0.5
151.07544	0.7
154.07765	0.5
155.08507	0.8
157.10127	1.8
159.08044	1.9
159.11668	8.6
161.09535	1.5
161.13229	1.8
163.07584	0.7
167.08391	0.6
168.09406	0.8
169.10136	0.9
171.08130	0.6
171.11696	0.8
173.09575	0.8
173.13228	6.2
175.03874	3.2
175.14912	0.8
177.09102	1.5
179.10582	3.3
183.11681	2.6
186.14026	1.9
187.07605	1.0
187.11174	4.1
189.09114	2.1
191.10631	1.7
201.12688	4.4
201.16376	100.0
202.16663	2.3
203.17928	2.2
211.11148	0.9
219.17450	4.0
229.12245	5.5
229.15874	1.8
247.09691	0.9
247.13182	3.4
247.16925	23.7
247.24522	0.7
248.17183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1326
Annotation	3-Oxo-4,11(13)-ivaxallaradien-12-oic acid
Peak:m/z	Relative Intensity
53.03940	3.5
55.01878	2.8
55.05513	7.3
57.03409	2.3
57.07066	2.5
61.10429	1.2
62.01624	1.4
63.81497	1.3
65.03938	4.5
67.05496	8.5
69.03426	19.2
69.07072	3.4
70.10030	7.6
70.76056	1.2
71.05001	1.4
76.84431	1.4
79.05486	10.8
80.14697	1.1
81.07045	19.5
83.04961	16.6
84.38055	1.5
91.05467	24.4
93.03387	3.9
93.06473	2.2
93.07030	15.5
95.04955	7.8
95.08617	5.8
97.02886	5.2
97.06522	3.1
103.05445	4.0
105.07029	25.9
107.04955	3.7
107.08583	18.6
109.02886	9.9
109.06506	14.3
109.10170	4.4
110.07179	1.4
111.04445	2.2
111.08104	2.0
115.05478	4.2
117.06999	16.1
119.04927	2.2
119.08568	24.0
121.02833	2.9
121.06513	16.0
121.10094	6.7
123.08068	2.7
127.03955	1.3
128.06175	8.9
129.06996	10.9
130.07805	4.0
131.08560	27.3
132.05698	3.2
133.06514	3.2
133.10136	11.0
133.48796	1.4
134.72665	1.4
135.08051	27.0
135.11693	4.3
137.05968	5.4
137.09613	4.7
141.06993	3.1
142.07794	4.6
143.08551	21.2
144.09351	8.9
145.06490	14.0
145.10117	17.5
146.07310	2.3
147.04442	2.0
147.08029	7.0
149.05977	2.6
149.09608	21.9
149.13158	1.7
150.10367	2.0
151.11122	3.3
153.07016	3.6
154.07831	2.5
155.08495	6.5
157.10147	6.0
158.10910	9.2
159.08054	15.6
159.11685	25.9
160.08797	3.2
161.09584	7.3
163.03793	1.5
163.07526	15.5
163.11255	4.0
165.09120	2.6
168.09352	8.2
169.10144	5.7
170.10921	3.3
171.08041	9.0
172.08821	14.6
173.06084	2.5
173.09618	27.7
173.13237	27.0
175.03912	11.4
175.07558	1.6
175.11168	3.1
181.06488	2.3
183.11674	17.9
185.09622	2.1
185.13277	3.7
186.10373	18.1
187.07590	5.2
187.11168	100.0
187.14789	3.3
189.09062	12.8
191.07019	32.8
193.10146	2.5
196.08846	4.6
201.12723	59.7
201.16423	1.9
202.13136	2.0
205.12236	6.2
211.11183	11.1
214.09935	3.5
215.10841	1.6
219.13850	3.7
229.08620	3.2
229.12224	74.7
229.15863	3.1
230.12573	2.4
247.09685	3.8
247.13322	64.9
247.16953	16.2
247.20642	1.9
248.16885	1.5
252.21175	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1326
Annotation	[3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-3a,4,4a,5,6,8a,9,9a-Octahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.02364	1.5
53.03924	2.8
54.87848	1.5
55.01862	7.5
55.05503	11.7
57.03413	2.1
57.07068	1.4
58.01586	1.3
61.44036	1.1
65.03919	4.5
67.05495	26.5
69.03423	4.4
69.07056	8.7
71.04977	4.5
71.35715	2.5
73.02902	1.6
79.05484	31.8
81.03409	1.9
81.06596	2.3
81.07048	36.3
83.04967	4.2
83.08605	4.0
86.06062	2.5
91.05468	46.7
93.07027	27.0
95.04953	23.7
95.08598	15.2
97.02876	1.5
97.06512	17.4
97.10112	1.7
98.97571	2.1
99.08086	1.4
102.97047	1.3
103.05432	4.5
105.07018	90.4
107.04940	10.5
107.08573	22.2
109.06499	18.9
109.10134	4.7
111.08067	2.1
115.05442	5.7
116.06178	2.4
117.03346	1.1
117.07002	33.9
117.73220	1.3
119.04911	3.4
119.08563	34.9
121.06491	17.2
121.10129	9.4
123.04361	1.4
123.08043	7.2
126.05442	1.8
128.06187	9.9
129.06985	16.6
130.07724	4.7
131.04810	2.4
131.08551	51.6
132.05630	1.4
133.06482	27.4
133.10110	22.8
135.04413	2.4
135.08026	16.7
137.06038	1.8
137.09621	3.4
141.06972	14.6
142.07753	8.2
143.08539	22.8
144.05684	2.3
144.09326	4.4
145.06430	11.6
145.10107	40.6
146.07275	1.7
147.04373	2.5
147.08052	14.2
147.11649	10.4
148.08804	3.3
149.05971	1.9
149.07419	1.4
149.09598	18.0
149.13251	1.3
151.07518	28.3
151.11087	1.3
153.05804	1.3
153.06943	5.9
153.09171	1.3
154.07733	2.2
155.08543	16.0
156.09207	1.6
157.10094	20.0
158.07314	3.5
159.08054	23.4
159.11671	29.2
161.02315	1.4
161.06004	1.6
161.09599	6.9
161.13243	2.4
163.03909	3.4
163.07512	3.7
163.11171	4.2
165.09114	2.3
166.07782	1.4
167.08513	2.3
168.09290	12.0
169.10094	8.8
171.07997	5.6
171.11630	2.7
172.08772	2.0
173.05991	5.8
173.09599	15.8
173.13235	18.0
175.03864	5.4
175.11160	30.0
177.09097	2.9
177.12692	1.5
181.06505	3.4
181.10074	1.9
183.08098	2.1
183.11673	36.1
185.09552	3.0
185.13197	6.0
186.10388	2.4
187.07533	5.0
187.11156	23.7
187.14716	8.8
189.09114	5.8
191.10680	2.9
193.10135	5.4
196.08797	4.4
201.09102	10.4
201.12709	54.8
201.16412	6.2
202.13292	1.7
203.10699	1.6
203.14363	1.5
205.08630	3.6
205.12157	3.0
210.61679	1.5
211.11176	12.6
211.14749	6.9
219.13766	3.5
219.17441	2.0
229.12186	48.8
229.15683	14.7
230.12601	1.7
245.45209	1.3
247.09666	4.4
247.13263	100.0
247.16911	62.2
247.24112	2.0
247.62492	1.5
248.13615	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1284
Annotation	H-Val-Glu-OH
Peak:m/z	Relative Intensity
50.37145	0.5
53.03943	1.0
55.05506	12.7
56.05031	1.3
56.96563	1.7
57.03428	0.9
57.05816	1.4
57.07061	0.7
60.04527	1.0
61.02907	0.5
67.05494	1.9
69.03412	1.4
69.07056	2.0
70.06590	0.8
70.26489	1.4
70.26884	1.3
72.08149	100.0
74.02409	0.8
74.06087	0.6
79.05482	2.3
81.07047	4.3
83.36945	0.5
84.04507	1.0
84.08144	2.5
85.02892	1.4
85.06519	0.6
86.09708	4.5
88.03979	7.2
91.05473	5.3
92.86237	0.6
93.07047	2.7
95.04997	1.0
95.08609	1.5
96.08096	0.6
97.02863	1.2
97.06555	1.3
98.21361	0.6
98.97590	1.2
98.98477	1.0
102.05522	7.5
103.05448	0.8
105.07030	5.8
105.65882	0.5
107.08606	2.0
109.06507	1.8
109.10160	0.6
110.02329	0.6
115.05460	1.0
116.98622	0.8
117.07021	3.0
118.03468	0.7
119.01936	2.7
119.04932	0.9
119.08607	2.2
120.04359	0.7
120.08112	3.0
121.06487	1.3
121.10083	1.0
128.06224	3.4
129.06989	2.3
130.07813	0.8
131.04904	0.6
131.08557	6.0
132.10289	0.8
133.10123	1.8
135.11697	1.3
137.02998	1.3
141.07005	1.3
141.10211	1.0
142.07759	1.7
143.08543	8.4
144.09381	1.0
145.06531	2.2
145.10097	3.7
147.04442	1.8
147.08093	1.4
148.06039	16.6
153.06996	0.8
155.08557	1.7
157.10101	3.0
159.08060	3.4
159.11670	4.0
161.09608	0.8
166.08630	0.8
167.08754	0.7
168.09409	2.5
169.10028	1.1
171.08078	1.1
173.05971	1.9
173.09584	1.2
173.13319	1.9
175.03918	5.6
175.11235	1.3
183.11682	6.0
185.09560	0.7
187.07594	2.5
187.11160	9.1
189.09116	6.1
201.12730	9.4
205.12257	0.8
211.11201	1.7
213.09518	1.0
219.13763	1.1
229.08675	1.7
229.12222	16.4
229.14430	1.0
230.12500	0.9
247.09691	1.9
247.10466	1.1
247.13130	10.1
248.07758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67921	1.2
70.91489	3.3
72.08131	3.6
73.96863	1.4
94.02632	1.3
101.00854	1.8
105.07040	2.4
109.02879	1.3
119.01935	6.7
121.01657	1.8
127.03895	1.8
131.08539	1.5
137.02911	1.2
143.08548	2.8
143.64998	1.6
147.03133	1.5
156.70370	1.2
159.11671	1.5
167.03142	1.7
173.13306	2.1
175.03970	2.8
183.11673	3.0
187.00783	1.4
187.02611	2.3
187.11160	3.4
189.08994	2.8
201.12740	4.6
215.00407	3.5
229.03178	29.9
229.12260	8.7
237.96315	1.6
247.04247	100.0
247.13260	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75228	0.6
50.91311	0.7
52.95331	0.6
55.01857	1.0
55.05508	2.3
56.05035	1.3
56.96559	100.0
57.03436	1.6
60.85537	0.6
61.02919	2.0
67.05491	2.4
69.03422	1.6
69.07062	0.7
70.06577	1.5
70.76392	2.2
70.98112	9.4
71.95259	0.8
72.08159	3.6
73.02900	1.0
74.97595	8.2
79.05491	2.8
81.03417	1.2
81.07053	6.0
83.05006	0.7
84.04506	2.7
84.08150	2.1
84.96027	4.7
85.02900	2.0
85.06547	0.9
85.08469	0.7
86.09716	2.3
86.97598	1.2
88.99151	9.5
91.05468	5.1
92.98660	1.5
93.07059	2.9
95.04973	1.1
95.08607	1.3
97.02898	1.8
97.06519	0.8
97.99210	0.8
98.97578	4.0
100.99135	4.0
102.97087	0.7
103.03934	0.8
105.07005	6.0
107.00186	3.9
107.04967	0.6
107.08609	2.1
109.02917	0.8
109.06548	2.1
109.10190	1.0
110.07128	0.7
110.97569	2.3
112.07610	0.8
112.95486	0.8
115.05447	1.1
116.98624	5.2
117.07014	4.1
118.08658	0.9
119.00187	7.9
119.01888	3.3
119.04962	0.9
119.08598	2.9
120.02083	0.7
120.98122	0.6
121.01682	2.6
121.06506	1.3
121.10154	1.3
123.04402	1.0
125.01264	0.7
127.03893	0.9
128.06201	4.5
128.98581	6.5
129.07033	2.3
129.10266	0.8
130.07787	0.9
130.96573	1.5
131.01939	0.7
131.08542	8.8
133.01683	3.6
133.10139	0.8
134.99704	4.5
136.06166	1.0
137.01231	1.6
137.21703	0.7
141.06970	1.2
142.01715	1.3
142.07777	2.2
143.01944	0.8
143.08554	8.6
144.09355	1.6
144.98070	13.3
144.99091	0.8
145.01608	0.9
145.06500	2.4
145.10083	3.6
146.99641	13.1
147.03247	1.6
147.04442	2.5
147.08078	1.3
148.06035	0.8
148.97575	3.6
150.05484	1.0
151.02824	0.8
153.00725	0.8
153.06966	1.2
155.08473	3.1
157.10103	3.3
159.03232	0.8
159.04459	1.1
159.08032	4.1
159.11673	4.6
161.01251	2.9
161.02856	1.2
161.09561	1.1
162.99130	33.4
165.00720	11.6
166.98561	3.1
168.09271	3.7
169.10193	0.9
170.01295	0.9
171.08052	2.0
171.99146	0.7
173.06024	2.5
173.09592	1.0
173.13249	3.1
174.99110	0.8
175.03893	7.8
175.11172	1.4
177.00748	1.0
177.04272	1.1
179.02370	1.8
181.00182	19.5
181.01733	1.0
183.01811	2.2
183.11667	6.7
186.00806	1.7
186.99127	3.1
187.02676	1.0
187.07603	2.9
187.11166	10.8
187.12642	0.8
188.02371	1.1
189.09084	7.9
193.00294	0.8
195.44824	0.7
199.01331	2.9
201.02419	0.8
201.12726	11.2
203.10844	1.1
204.01770	1.4
205.00165	24.8
205.03784	1.2
205.12350	0.8
211.11293	2.4
212.07759	1.5
219.03490	0.7
219.13776	1.4
223.01233	53.1
224.04118	1.1
228.01775	3.5
229.12227	18.6
229.14421	1.0
241.02264	7.5
246.02777	3.9
247.01265	0.7
247.02304	0.6
247.04831	1.9
247.09763	1.4
247.13268	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1898
Annotation	Falcarinol
Peak:m/z	Relative Intensity
53.03928	0.8
55.05509	3.5
56.96554	1.7
57.03435	16.7
57.07058	1.5
59.04985	0.7
65.03930	0.9
67.05499	5.4
69.07056	2.6
70.31649	3.2
71.04971	0.8
71.08610	1.0
71.73169	0.7
77.29295	0.7
78.77940	0.6
79.05492	6.9
81.03401	2.1
81.07040	6.2
83.04956	0.9
83.08611	1.6
85.06527	1.2
91.05477	12.8
93.07025	5.5
95.04959	2.1
95.08617	4.3
97.10088	0.6
103.05450	1.1
105.07025	12.2
107.04916	1.9
107.08586	4.6
109.06514	6.3
109.10157	2.5
109.74085	0.6
115.05441	2.0
117.07015	15.6
119.04950	1.9
119.08558	7.3
121.06509	0.8
121.10123	3.1
123.08083	1.1
123.11694	0.9
125.09605	0.9
128.06209	2.6
129.06990	2.8
131.08546	6.1
132.05679	0.9
132.31114	0.8
133.06483	5.4
133.10126	4.0
135.08064	7.1
135.11678	1.6
137.09784	0.7
141.06990	1.4
142.03137	0.7
142.07703	1.1
143.08536	3.5
145.06476	12.1
145.10126	2.3
147.08025	3.0
147.11652	3.0
149.09650	1.3
149.13249	0.9
155.06020	1.5
155.88930	0.7
157.10085	2.2
159.08044	2.8
159.11758	1.3
161.09619	20.0
161.13254	4.5
163.14816	1.6
171.11613	1.7
173.09593	4.1
173.13235	1.6
174.10376	6.1
175.11168	3.0
175.14796	1.8
183.44620	0.7
184.09013	0.7
185.13213	1.8
187.14784	2.2
189.11162	0.8
189.12701	1.2
189.16362	4.5
201.16316	0.7
203.14250	0.8
211.23242	0.8
215.08429	0.8
217.19411	0.9
227.17926	3.1
245.18991	100.0
245.22600	7.5
246.19334	1.5
249.37758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1897
Annotation	Falcarinol
Peak:m/z	Relative Intensity
53.00300	1.2
53.03929	2.9
55.01868	5.6
55.05503	25.5
57.03430	19.0
57.07063	7.6
65.03916	3.2
66.54893	0.9
67.05190	1.5
67.05501	19.3
69.03407	3.2
69.07056	6.8
70.30606	2.4
70.31000	2.4
71.04967	3.4
74.76745	0.9
77.03889	1.7
79.05487	29.2
81.07047	10.5
83.04971	60.2
83.08591	2.7
83.76252	0.9
85.06535	1.5
91.05469	48.8
93.07035	17.4
95.04962	9.0
95.08589	6.5
97.06498	2.6
103.05435	3.8
105.03364	2.9
105.04486	1.5
105.07013	42.5
107.04939	4.6
107.08583	6.1
109.06487	4.3
109.10125	3.7
111.08064	1.1
115.05421	3.8
117.07021	12.5
119.04894	2.9
119.08571	19.5
121.06493	10.2
121.10131	2.9
123.08036	3.0
128.06219	11.6
129.06993	11.9
130.07805	1.5
130.97401	1.0
131.04919	2.4
131.08572	9.3
132.05681	4.0
133.06479	15.4
133.10118	10.7
135.08026	6.6
135.11693	2.0
141.06990	3.0
142.07716	3.2
143.08563	8.7
145.06441	5.9
145.10077	4.6
146.07309	4.9
147.08058	12.8
147.11684	6.5
155.08522	1.8
157.10147	6.9
159.08052	2.7
159.11676	2.1
160.08810	1.4
161.09607	19.0
161.13194	3.9
163.11156	1.3
165.12753	1.9
171.11673	2.3
173.13211	4.4
175.11165	8.1
175.14734	1.7
185.13191	3.3
187.14792	1.4
189.12730	2.9
189.16357	3.1
203.14249	1.7
217.19473	2.7
227.17844	5.1
245.18976	100.0
246.19344	1.0
248.32121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1897
Annotation	Falcarinol
Peak:m/z	Relative Intensity
51.02376	2.7
53.03941	4.3
54.97151	0.7
55.01866	9.6
55.05508	9.3
57.03410	0.8
57.07070	4.2
65.03934	1.9
66.96386	0.6
67.05495	10.5
69.03395	0.8
69.07056	2.7
70.35368	2.8
71.04985	25.7
71.08614	0.8
77.03918	20.3
79.01830	5.4
79.05486	20.5
81.03394	2.1
81.07040	5.8
83.04969	7.1
83.08611	1.4
85.06518	2.1
85.10168	1.0
91.05471	100.0
92.05797	1.2
93.07040	12.9
95.04963	7.0
95.08592	5.9
97.06518	15.8
97.10155	0.8
103.05442	4.1
104.06266	2.2
105.03384	24.5
105.07018	97.9
107.04929	3.7
107.08578	4.4
109.06515	1.4
109.10136	2.3
115.05437	5.1
116.06215	1.2
117.07009	20.2
118.04137	1.7
119.04929	56.0
119.08562	12.9
120.05240	0.7
121.06495	11.0
121.10130	1.4
123.08030	3.9
128.06219	8.7
129.06985	19.1
130.07764	0.9
131.04938	1.8
131.08553	11.0
132.05711	3.2
133.06467	12.3
133.10123	6.9
135.08046	1.1
135.11694	1.2
137.09622	1.2
141.06996	1.3
142.07761	2.7
143.08557	8.4
145.10114	3.2
146.07239	0.9
147.08032	79.8
147.11668	2.1
148.08882	4.2
155.08537	0.8
157.10118	5.6
159.08031	1.7
159.11671	2.0
160.08815	2.5
160.63518	0.7
161.09610	22.4
161.13263	2.4
162.10315	1.1
166.25186	0.7
171.11699	4.3
173.09502	1.1
173.13315	1.2
174.10356	1.3
175.11266	2.4
175.14807	48.4
179.14362	0.9
185.13257	2.3
189.12749	4.2
199.14746	0.8
201.16371	1.6
203.14262	0.9
207.77968	0.8
217.15858	2.9
227.17915	1.5
245.18980	83.3
246.19266	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.01849	2.4
55.05506	16.9
57.03434	2.8
57.07060	3.1
61.24480	1.7
67.05495	12.5
69.07062	16.9
71.04983	2.5
71.75176	2.2
76.52668	1.3
79.05489	14.4
81.06592	2.6
81.07046	32.4
83.04992	2.1
83.08614	8.6
84.20431	1.7
84.97231	1.4
85.06528	3.1
85.19576	1.5
87.04450	2.7
88.96385	1.7
90.01169	1.4
90.02290	1.5
91.05466	23.4
93.07036	40.9
95.04970	3.5
95.08600	27.5
97.06522	9.7
97.10145	11.1
99.08072	6.1
101.43452	1.3
103.43925	1.6
104.72098	1.5
105.07021	34.5
107.08579	49.2
109.06535	9.7
109.10137	13.9
111.08051	4.8
111.11683	4.5
111.12508	1.2
115.03950	2.4
115.05398	2.2
117.07013	9.7
119.04940	3.8
119.08566	22.4
121.06480	4.5
121.10132	13.2
123.08037	8.3
123.11675	7.0
125.09613	10.1
128.06201	4.3
129.07005	7.4
131.08556	19.6
133.06476	3.8
133.10117	18.5
135.08020	5.1
135.11679	78.5
137.09595	5.1
137.13335	2.6
142.03130	1.9
142.07735	5.2
143.08545	13.8
144.09325	2.1
145.10109	24.6
147.08043	7.3
147.11676	15.5
149.09586	8.2
149.13234	4.3
151.11182	4.6
156.09299	4.5
157.10094	24.7
159.07997	1.7
159.11662	15.4
161.08305	1.4
161.09532	8.1
161.13246	7.8
162.10260	1.6
162.51013	1.4
163.11169	9.8
164.27943	1.7
165.12775	1.8
170.10951	2.2
171.10201	1.9
171.11665	29.7
173.13216	10.2
175.11156	5.2
175.14796	5.3
185.09595	2.1
185.13211	15.7
187.14786	23.8
189.11154	6.7
189.12761	7.0
197.13261	2.9
199.14839	3.1
201.16267	4.8
203.14302	7.7
203.17790	1.5
212.15564	3.5
217.15846	1.9
217.19504	3.1
227.10507	1.9
227.17917	88.6
245.04326	3.1
245.11656	3.5
245.18985	100.0
246.19493	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1856
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
51.50046	0.3
55.01841	0.4
55.05507	0.4
56.05016	0.4
56.96553	0.4
67.05490	0.7
69.03419	0.4
69.07051	0.8
70.06577	1.2
71.74023	0.4
72.08144	0.4
74.74050	0.3
79.05481	0.6
80.05007	2.4
81.07029	0.5
83.04977	0.3
83.08581	0.3
84.04473	0.6
84.08134	0.8
85.02872	0.3
86.09695	100.0
87.10028	0.6
91.05469	1.3
93.07041	0.4
95.08583	0.6
97.02879	0.5
97.10152	0.4
105.07002	0.7
107.08592	0.3
108.04482	0.3
114.03743	1.6
116.01670	0.4
117.06963	0.3
119.08584	0.6
125.09599	0.3
129.10226	0.5
131.08630	0.4
132.10193	3.4
132.68314	0.3
142.03206	10.3
143.03513	0.4
143.08568	0.6
157.10146	0.4
169.89539	0.3
170.02710	1.9
177.05524	0.4
181.10068	0.3
199.05463	0.4
199.11134	0.6
199.18097	1.2
227.10706	0.7
245.06038	0.4
245.11729	1.0
245.15950	0.5
245.18607	3.1
245.22461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.05517	0.5
56.05023	0.9
56.96558	2.7
57.03430	0.7
57.07058	0.3
58.06599	0.4
61.02902	0.5
67.05475	0.7
68.04997	0.4
68.48862	0.4
69.03408	0.7
69.07065	12.3
69.62762	1.2
69.63194	2.0
70.06576	1.6
71.95243	0.4
72.08165	0.4
73.02913	1.0
79.05452	0.7
80.05001	0.5
81.03419	0.7
81.07049	0.7
84.04515	0.7
84.08108	1.9
85.02890	1.3
86.09702	100.0
87.10024	0.6
91.05477	1.0
93.07023	0.6
94.25638	0.4
95.08604	0.5
95.26482	0.4
97.02890	0.9
97.06528	0.6
98.97580	1.9
102.85677	0.4
105.07014	0.9
107.08622	0.6
109.02914	0.5
114.03728	0.6
116.98599	2.1
119.08584	0.6
129.10272	0.9
131.08560	0.5
132.10188	1.9
133.10123	0.4
134.99678	3.1
136.17862	0.4
141.02219	0.6
142.03233	3.8
142.07727	0.6
147.08022	0.4
153.00737	0.4
159.03224	2.0
161.02908	0.4
170.02713	0.8
171.03290	2.6
171.11754	0.4
177.04338	0.6
189.04320	4.6
199.11215	0.7
213.07100	0.6
227.10857	0.5
231.05453	0.8
239.33765	0.4
245.04724	0.5
245.08221	1.1
245.11720	1.2
245.18645	3.2
255.03317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1535
Annotation	CHEBI:67919
Peak:m/z	Relative Intensity
53.03940	1.7
55.01869	9.4
55.05518	9.8
57.03430	2.1
57.07059	3.1
63.94533	1.4
64.47321	1.4
67.05499	11.8
69.03404	2.3
69.07063	24.1
70.06580	1.5
70.64524	3.1
70.64867	2.6
71.04972	2.9
79.05485	16.2
79.61269	1.3
81.07049	21.1
83.04952	2.2
83.08606	3.6
91.05472	33.2
93.07040	19.1
95.04966	3.5
95.08588	6.6
97.06513	12.8
97.10136	3.6
105.07032	23.3
107.04961	2.7
107.08574	11.2
109.06509	4.2
109.10154	3.3
115.05463	3.1
117.07008	12.8
119.08570	64.9
121.06498	2.4
121.10113	6.2
125.09605	3.2
126.72770	1.4
128.06200	4.4
129.06993	16.2
129.07855	2.2
130.07816	1.8
131.08559	19.2
133.06514	4.7
133.10127	10.5
135.08015	6.1
141.06999	3.0
142.07776	5.2
143.08560	24.7
145.06450	3.1
145.10115	9.2
147.08023	23.0
147.11673	2.9
149.09578	7.6
153.28461	1.5
155.08556	2.8
156.09375	2.1
157.06528	1.5
157.10136	25.9
159.08043	3.7
159.11681	5.3
161.05936	2.0
161.09592	11.1
161.13255	1.9
163.07506	2.7
171.11653	11.4
175.07538	6.1
175.11183	2.0
177.09117	6.3
179.07019	11.9
181.10138	3.1
183.11641	3.3
185.09589	5.5
185.13232	3.3
187.07597	1.8
187.11127	2.1
189.09077	4.7
189.11076	3.1
189.12703	2.0
189.16371	2.2
199.11191	5.2
199.14810	42.5
201.12773	3.2
203.10677	3.6
205.85010	1.8
209.13277	4.6
217.15837	9.1
227.10803	2.5
227.14302	33.3
245.07985	2.7
245.11510	4.3
245.15372	100.0
245.19199	3.9
245.26678	9.4
250.47292	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1169
Annotation	Ferulin
Peak:m/z	Relative Intensity
50.60684	0.8
53.03926	2.3
55.01862	1.3
55.05488	4.1
56.96551	2.9
62.33495	1.0
63.84959	1.0
65.03921	1.8
67.05492	5.7
69.03404	4.4
69.07059	1.1
71.74454	1.2
72.38538	0.9
74.04871	0.9
79.05476	11.0
80.04988	3.8
81.03378	1.5
81.07037	8.3
83.01305	1.6
83.04940	1.8
86.09697	2.2
91.05461	17.1
93.07036	7.6
95.04939	5.6
95.08561	2.5
97.02875	2.1
97.06541	1.4
98.97559	2.7
103.05437	2.5
104.92906	0.9
105.03365	1.1
105.06322	1.2
105.07015	16.6
107.04922	3.1
107.08578	6.6
109.06520	5.2
111.04401	2.0
114.03731	3.6
115.05426	5.3
116.06182	1.8
116.98606	2.7
117.07003	12.9
117.32948	1.0
119.04884	3.2
119.08538	6.7
121.06490	2.6
121.10140	1.7
123.04413	4.6
125.05986	1.1
128.06200	13.9
129.06984	20.9
130.07791	4.7
131.08542	15.0
133.06479	5.5
133.10100	3.4
134.99561	1.6
135.08035	1.3
137.05962	21.9
141.06989	14.0
142.03197	21.1
142.07751	15.2
143.08539	21.6
144.05670	1.3
144.51907	0.9
145.06451	4.1
145.10094	21.2
147.08011	2.7
147.11674	2.0
149.01111	1.2
151.03848	1.9
151.07564	1.0
152.06174	2.9
153.06956	12.2
154.07703	1.7
155.06026	1.3
155.08530	21.6
156.09325	13.3
157.06476	6.7
157.10089	9.3
158.07239	3.5
159.08020	4.8
159.11681	1.6
160.08820	1.0
161.05965	2.0
161.09579	2.2
165.05656	2.0
165.06970	38.8
166.07759	52.0
167.08507	4.4
168.09341	6.7
169.06458	2.3
169.10081	2.5
170.02661	4.2
171.08028	15.4
171.11667	20.9
173.06001	1.2
173.09601	20.8
175.07526	7.4
177.00671	1.3
179.08522	1.7
181.10091	100.0
182.10611	2.1
183.07965	3.0
183.11679	5.1
184.08836	4.2
185.05952	4.9
185.09549	4.4
189.09074	2.0
189.12697	1.7
194.07231	1.1
199.05583	1.7
199.07491	12.5
199.09341	2.2
199.11160	32.0
201.09068	25.6
201.12703	2.8
203.10693	2.3
209.09576	7.6
212.08342	1.9
217.08578	5.9
217.12141	7.1
227.10632	48.6
228.10988	1.3
229.86748	1.0
245.07976	2.0
245.11690	51.4
245.15379	3.1
254.58597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.117
Annotation	Ferulin
Peak:m/z	Relative Intensity
53.03923	1.4
55.01851	3.7
55.05501	12.7
56.09810	1.0
56.96572	5.7
57.03432	6.5
59.04981	1.3
65.03938	1.1
67.05502	9.3
69.03427	7.3
69.07034	3.2
70.06567	2.5
70.32983	1.1
71.04963	2.1
71.47948	2.4
73.56470	0.8
77.87037	0.9
79.05483	12.1
80.05019	1.0
81.03406	1.5
81.07053	6.9
83.04951	3.7
83.08591	5.1
84.04514	1.3
84.08125	2.3
86.09692	7.3
91.05004	1.4
91.05479	16.9
93.07026	7.6
95.04965	7.3
95.08581	1.6
97.06535	1.9
97.10152	11.3
102.18873	1.0
103.05455	7.0
105.03351	1.4
105.07018	13.2
107.04915	3.7
107.08609	5.0
109.02852	1.2
109.06474	3.9
115.05436	7.0
116.06216	2.0
116.98586	1.1
117.03346	1.9
117.07007	11.5
119.01916	1.6
119.04903	2.7
119.08586	6.0
121.06503	11.0
121.10109	1.5
125.09605	9.7
127.91673	1.0
128.06198	14.7
129.06990	24.6
130.07732	4.1
131.04929	4.6
131.08553	19.3
133.06441	3.3
133.10054	1.8
134.07133	1.4
134.99632	1.3
135.04433	2.3
135.08044	4.5
135.11607	1.0
137.05951	4.6
141.06949	13.6
142.03285	7.0
142.06674	1.6
142.07765	23.9
143.08546	31.6
144.05692	3.1
144.09250	1.4
145.06471	10.2
145.10103	16.0
146.07230	1.1
147.08063	5.3
147.11700	1.8
149.05963	6.8
151.03871	1.4
153.06995	5.7
154.07706	1.6
155.08553	12.7
156.09326	18.9
157.06490	10.9
157.10098	35.3
158.07260	10.9
159.08037	18.2
159.11681	4.3
160.08783	6.8
161.05972	3.5
161.09636	3.1
163.03893	4.6
165.06960	10.6
166.06430	1.6
166.07742	13.9
167.03668	2.3
167.08482	2.7
168.09344	2.4
169.06482	8.3
169.10068	1.7
170.07245	2.7
170.10820	1.0
171.08052	17.3
171.11668	32.3
172.08728	1.8
173.06042	1.4
173.09607	23.9
173.13226	2.3
175.03903	1.9
175.07489	5.8
175.08757	1.1
175.11116	2.0
176.04137	2.1
177.05470	11.4
177.43692	1.0
179.08527	1.3
181.10104	21.5
183.06572	1.5
183.07994	5.2
183.11656	4.3
184.08832	22.0
185.05972	2.6
185.09607	23.5
186.10297	1.8
187.07437	2.4
189.05423	6.3
189.09053	3.5
189.11183	7.6
189.12720	2.1
191.05255	5.8
197.05968	1.2
197.09550	1.8
199.11160	100.0
200.05724	2.5
200.11681	1.9
201.05501	1.0
201.09067	1.8
201.12733	6.9
202.55914	1.3
203.06995	3.8
203.10608	8.4
209.09628	9.9
212.08296	4.0
215.07021	1.4
217.08621	1.8
217.12195	12.3
227.10652	41.0
245.11690	89.7
245.13824	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1168
Annotation	Ferulin
Peak:m/z	Relative Intensity
50.68653	1.3
52.33537	1.2
53.03928	3.1
55.01860	3.1
55.02115	1.2
55.05484	4.7
56.96541	3.7
65.03923	2.5
67.01851	2.5
67.05496	7.1
69.03423	7.5
69.07039	1.8
70.45139	5.7
71.04967	2.6
77.03904	1.2
79.05479	15.1
81.03389	2.1
81.07039	16.4
83.01331	2.2
83.04961	1.9
85.02882	1.7
85.06465	1.5
91.05461	26.0
91.44051	1.2
93.07038	9.1
95.04955	8.2
95.08587	4.9
97.02870	2.8
97.06489	2.8
97.10156	1.6
98.97549	1.9
103.05431	3.6
105.07012	27.9
107.04943	6.0
107.08584	10.9
107.20841	1.2
109.02857	1.9
109.06481	9.6
109.10111	1.8
111.04416	4.3
115.05397	8.1
116.06224	1.5
117.06992	17.0
119.04903	5.4
119.08554	10.8
121.02786	2.5
121.06464	3.2
121.10101	2.9
123.04401	7.0
125.09602	1.3
128.06198	20.4
129.06973	28.1
130.07797	7.5
131.04916	3.2
131.08543	21.7
133.06433	8.2
133.10089	7.3
135.04396	1.8
135.08000	4.7
135.11716	1.5
137.04919	2.3
137.05949	37.1
137.06990	2.6
139.03891	1.2
141.06950	17.5
142.03239	1.3
142.07735	16.0
143.08536	28.1
145.06474	6.4
145.10091	32.9
147.04364	2.4
147.08006	5.5
149.05957	1.4
151.03873	2.3
152.06189	2.2
153.06978	14.0
154.07709	3.7
155.08514	27.0
155.09772	1.8
156.09317	15.5
157.06445	7.9
157.10097	14.0
158.07237	7.1
159.07996	6.4
160.08846	1.7
161.05927	2.9
161.09581	3.5
163.03841	2.8
165.06963	43.9
166.07748	56.6
167.08478	5.1
168.09343	6.0
169.06473	3.8
169.10069	3.7
170.07268	1.5
170.10745	1.2
171.08012	18.2
171.11656	24.9
173.05910	2.2
173.09589	32.1
175.07495	12.2
175.11166	3.6
176.04056	2.0
179.08513	3.0
181.10081	100.0
182.10515	2.6
183.08037	3.3
183.11618	6.7
184.08810	7.9
185.05931	5.0
185.09557	5.6
185.13072	1.4
187.07518	1.7
189.05495	1.3
189.09100	2.5
189.12701	2.2
189.16327	1.6
199.07478	18.1
199.11134	45.3
201.09070	44.7
201.12686	3.8
203.10623	3.8
209.09616	11.5
212.08389	1.7
215.06981	1.2
217.08646	9.2
217.12154	14.1
227.07002	2.7
227.10625	54.6
227.14124	2.1
245.04420	1.9
245.07954	4.8
245.11682	77.9
245.15379	5.0
245.18965	1.8
245.22447	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58942	2.8
60.08153	6.6
70.06599	5.9
70.99866	3.3
71.73239	3.9
81.03406	2.9
82.99831	3.7
91.20499	2.9
93.13986	3.4
94.93018	3.6
95.36985	2.8
96.86571	3.3
99.61167	3.2
101.00878	39.2
104.10730	59.6
105.11057	3.7
115.02413	3.3
118.03522	2.8
119.01067	6.4
119.01913	100.0
127.02338	3.4
129.04021	5.3
131.01939	16.5
137.02924	14.2
142.03462	4.2
143.01910	15.5
145.03481	24.0
147.01363	3.8
149.02992	3.4
155.01883	31.7
157.03416	15.6
161.02930	25.1
163.04489	5.4
167.01884	12.1
171.05002	8.9
173.02950	34.8
175.04533	5.7
179.01881	6.0
185.02936	86.0
185.04471	6.0
187.04483	6.4
197.02963	33.4
203.03995	18.7
215.03961	10.4
221.05095	10.0
227.04016	5.7
245.05106	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	2.0
55.05497	1.9
55.11842	1.1
56.05008	3.2
56.96556	100.0
57.03414	3.0
58.06619	1.5
58.99840	3.6
59.53257	1.1
60.04506	1.3
61.02898	2.1
61.58253	0.9
68.05017	1.4
68.12071	1.0
69.03407	4.2
69.07058	2.7
70.02937	2.7
70.06586	12.8
70.98110	6.9
71.72974	1.5
71.95258	10.4
72.08138	5.1
72.96022	4.3
73.02898	2.7
74.06072	2.5
74.97582	4.5
77.00880	2.5
81.03394	3.5
81.07051	1.6
82.99841	1.8
83.04967	1.2
84.04493	9.1
84.08128	22.5
84.95999	3.4
85.02902	2.6
86.06052	1.8
86.09688	12.4
86.99323	1.9
88.99155	6.1
95.01928	1.6
96.00851	1.3
97.02877	8.0
98.97571	36.0
99.04456	1.5
101.00858	17.5
102.05509	2.4
102.96956	1.3
103.02415	3.3
104.10754	3.0
104.82544	1.1
105.00314	4.0
107.00184	2.1
107.04937	1.1
109.02869	1.3
112.05058	4.8
113.00822	2.3
113.03472	16.3
113.04626	3.2
113.05409	3.4
113.98640	1.8
115.02412	3.6
115.03844	1.4
116.07069	4.4
116.98605	39.9
118.01096	1.1
119.01904	92.0
120.01974	3.0
121.01652	3.8
121.03454	1.5
123.01353	1.6
123.03223	1.1
124.95438	3.8
127.02456	2.1
127.03952	1.5
128.98598	2.7
129.03923	2.2
129.10196	5.9
130.05025	2.7
130.08638	4.4
131.00175	3.7
131.01889	20.4
131.99693	3.9
133.01678	5.3
133.03468	11.0
133.04991	1.5
134.01329	1.2
134.02974	2.4
134.99641	54.8
135.03096	4.2
137.02937	21.9
138.98921	1.6
139.02530	1.7
140.00177	1.5
142.03415	4.0
142.20428	1.3
142.96495	13.8
143.01881	17.5
145.03461	20.2
146.99585	4.3
147.01349	4.2
147.05048	2.2
149.01192	4.8
149.02936	5.8
150.00710	4.9
151.02643	2.5
153.00679	7.7
155.01883	13.7
157.03453	18.3
158.01227	4.3
158.99625	1.8
159.04962	2.6
160.97574	18.0
161.02936	64.9
162.03212	1.6
162.99171	2.1
163.04503	9.8
165.00685	4.4
167.01930	5.5
169.03464	2.8
170.96004	4.1
171.04996	4.5
171.11653	1.6
173.02939	27.9
174.99196	8.0
175.04492	15.0
177.00880	1.8
177.02498	3.5
178.98581	2.8
179.00557	1.4
179.01985	2.9
179.04010	2.3
181.00027	1.3
182.08026	1.7
183.01559	1.7
183.99118	1.9
184.04558	4.6
184.97568	4.2
185.01259	2.2
185.02931	41.4
185.04501	1.6
187.00394	1.9
187.04448	7.1
188.97049	56.4
188.98764	2.8
189.00624	2.6
189.02214	1.7
189.11191	1.6
190.98596	3.1
191.02296	2.4
191.04008	6.5
193.00203	12.8
195.03581	1.5
197.02936	15.1
199.04469	3.9
201.15977	2.1
202.98608	19.0
203.02171	4.5
203.03973	20.7
206.98105	43.1
208.04584	1.9
211.98593	3.5
215.04019	6.8
217.05487	5.0
219.03618	1.8
220.04402	1.9
220.99699	14.1
221.01634	2.0
221.03551	0.8
221.05078	10.3
222.02425	1.5
224.99170	3.3
226.00229	1.8
227.03970	5.3
227.10645	1.6
229.99693	2.6
230.98076	5.4
233.05093	1.8
239.00690	3.1
244.99667	1.9
245.05028	57.5
245.11810	5.7
245.14983	3.4
246.05159	1.8
248.99174	4.0
263.03125	10.1
263.06158	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1741
Annotation	Dehydrofalcarinol
Peak:m/z	Relative Intensity
51.36808	2.3
53.03944	18.5
55.01863	3.4
55.05504	14.9
57.03414	5.0
57.07075	14.6
65.03917	4.1
66.22333	2.2
67.05503	20.3
69.03420	22.6
69.07053	9.2
70.22934	11.6
79.05486	47.9
81.03405	19.2
81.07036	21.9
81.57558	2.1
85.10190	3.2
85.62855	2.7
91.04913	4.5
91.05466	74.1
92.09077	2.3
93.07037	21.1
95.04943	17.3
95.08598	12.2
95.12270	2.3
103.05441	8.5
104.61095	2.4
105.04472	2.8
105.07017	28.6
107.04946	62.0
107.08572	8.5
109.10165	4.0
115.05441	38.5
116.06231	16.1
117.07005	45.4
119.04897	3.2
119.08559	9.6
121.06471	2.8
121.10123	2.6
123.11630	3.1
128.06206	7.9
129.06989	23.8
130.07755	3.5
131.04919	14.7
131.07634	4.2
131.08543	50.9
133.06482	15.5
133.10115	4.7
141.06955	28.3
143.08531	7.0
144.05679	29.8
145.06467	57.5
145.10059	12.1
146.07350	2.4
147.07986	3.5
153.06941	6.2
154.07800	3.2
155.06000	4.9
155.08542	13.9
157.06500	5.1
157.10110	2.7
158.07268	8.4
159.08035	87.3
159.11688	3.5
159.99156	2.3
161.13327	3.8
169.07634	6.2
169.10144	4.2
171.08018	4.4
172.08850	4.3
173.09586	13.3
173.13217	5.7
175.14758	4.3
183.11679	4.0
187.14723	2.7
201.12863	2.7
215.17941	3.2
225.16344	8.3
243.13719	4.9
243.17427	100.0
243.21141	10.6
243.28767	6.4
244.17711	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0926
Annotation	.beta.-Arabinosylcytosine
Peak:m/z	Relative Intensity
52.11232	0.4
55.01854	2.0
56.05033	0.6
56.96558	20.6
57.03431	5.5
60.95839	0.6
61.02917	7.2
69.03410	2.2
69.04550	1.1
69.07082	0.5
70.02934	1.6
70.06584	4.6
70.54172	1.6
70.98103	1.6
71.01315	0.9
71.95252	2.7
72.08127	1.6
72.96026	1.4
73.02908	3.0
74.97587	0.7
77.00875	0.8
81.03408	0.6
82.06577	1.0
84.04498	1.7
84.08134	7.2
84.96000	1.0
85.02886	3.5
86.09698	2.6
87.04476	0.9
88.99122	1.2
95.02432	3.3
96.00853	1.1
97.02874	2.6
98.09669	0.4
98.97573	11.2
99.04465	0.6
101.00859	1.9
102.00928	0.6
102.05512	0.5
103.02369	0.6
103.03966	0.5
104.02560	0.6
105.02135	0.5
105.11143	0.5
110.33939	0.4
112.05072	100.0
113.00782	0.7
113.03470	17.0
115.02414	1.1
115.03924	0.8
115.08751	0.5
116.01910	1.0
116.07072	1.4
116.97276	1.0
116.98602	9.7
119.01896	7.4
120.01975	1.3
121.01654	1.2
124.95448	1.7
127.03905	1.0
128.98575	1.2
129.03880	0.5
129.10239	1.5
131.00134	0.5
131.01883	2.1
132.01917	1.0
132.05078	0.5
132.96681	0.5
133.01671	0.9
133.03439	1.9
133.04959	1.3
134.01303	0.6
134.02879	4.4
134.99634	6.6
135.03186	0.7
137.02956	1.5
141.01302	1.0
141.03050	0.5
141.04810	1.3
142.03326	0.6
142.96494	3.3
143.01923	0.9
144.99806	0.5
145.01683	0.9
145.03394	2.1
146.99631	1.7
147.03096	0.4
147.05043	0.7
147.11299	0.6
149.01144	0.6
149.02939	0.7
150.01784	1.4
150.03577	0.8
152.04057	0.5
153.00632	0.6
155.01884	1.6
157.03404	1.1
158.99683	0.6
160.97565	3.6
161.02901	4.1
162.03125	0.6
163.00818	0.4
163.02716	0.6
163.04466	0.9
165.00700	1.6
170.96042	1.3
172.04604	0.5
173.02879	2.3
174.06303	0.5
174.99139	2.1
175.02760	0.6
175.04485	0.9
177.00861	0.7
177.02371	0.8
178.00989	0.6
178.98537	0.5
183.53326	0.5
184.01216	0.8
184.04565	0.8
184.97598	1.0
185.02826	3.0
187.00342	1.8
187.04507	0.6
188.97043	10.7
189.00717	0.9
189.03741	0.9
190.03865	0.7
190.98640	0.6
191.02200	0.8
191.03970	1.0
193.00166	2.5
197.03011	0.7
202.02356	1.6
202.98636	3.1
203.02208	0.9
203.03835	0.8
205.01491	1.6
206.98109	8.3
211.98643	0.9
220.02000	0.9
220.99660	2.5
221.05043	2.0
224.99117	0.9
229.99672	0.5
230.01707	0.8
230.98090	0.6
239.00658	0.7
244.07069	0.8
244.09506	0.6
244.16518	0.8
245.05092	4.3
253.46185	0.5
262.03122	1.3
263.03015	0.9
263.06317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.05504	8.7
57.07063	6.0
65.03930	2.5
67.05501	23.0
69.03423	6.2
69.07056	6.3
69.62497	7.5
79.05487	17.2
81.03414	10.9
81.07047	19.4
83.08608	2.5
85.10160	1.2
87.10714	0.8
91.05469	100.0
93.07037	17.8
95.04949	6.2
95.08593	16.3
103.05451	3.4
105.07019	87.1
107.04969	1.5
107.08565	8.1
109.10147	10.8
115.05443	26.3
116.06216	4.5
117.07003	24.5
119.04942	2.2
119.08565	21.7
121.06499	1.2
121.10136	11.0
123.11698	3.2
128.06221	2.6
129.06975	12.7
129.07837	1.3
130.07730	4.4
131.04903	2.3
131.08554	36.6
133.10120	17.8
135.08073	1.0
135.11682	9.0
140.61136	0.9
141.06984	6.0
142.07761	1.1
143.08478	4.1
144.05681	2.3
145.06473	21.2
145.10109	22.9
146.07240	1.3
147.11670	16.3
149.13245	4.7
154.07846	1.1
155.06067	1.1
155.08560	4.3
157.06509	2.1
157.10133	1.5
158.07249	1.8
159.08055	18.3
159.11664	16.5
161.13240	20.3
163.14766	1.1
169.10083	2.3
171.11638	1.4
173.09647	1.8
173.13239	17.7
175.14809	37.7
181.11511	0.9
183.11714	1.8
187.14804	12.4
196.68877	1.0
199.14806	2.0
201.16318	5.1
215.17906	5.7
225.16313	1.4
243.17416	29.9
243.21063	80.0
244.17831	1.4
244.21362	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1742
Annotation	Dehydrofalcarinol
Peak:m/z	Relative Intensity
51.02340	1.0
53.03949	6.0
55.01854	3.0
55.05507	5.5
57.07073	34.4
60.31512	0.9
65.03954	1.1
67.05498	10.2
69.03410	2.3
69.07052	3.2
70.77748	3.0
71.04973	1.1
73.15372	0.9
77.10452	0.9
79.05487	11.9
80.96721	1.2
81.03415	14.7
81.07050	8.0
83.08594	1.5
91.05473	31.2
92.54998	1.1
93.07028	5.7
95.04942	4.2
95.08595	3.9
103.05467	3.4
105.03357	1.1
105.07025	9.8
107.04967	6.9
107.08606	3.0
109.10132	3.2
115.05456	16.2
116.06248	5.9
117.07013	17.4
119.04955	1.4
119.08572	3.9
121.06503	1.7
121.10129	1.0
127.11160	3.3
128.06154	3.2
129.07001	13.2
130.07776	1.8
131.04901	3.1
131.07649	1.2
131.08565	15.3
133.06483	3.0
133.10088	3.0
141.06950	4.2
143.08553	4.4
144.05692	4.7
144.09361	1.3
145.06461	9.7
145.10088	6.0
147.07996	1.1
147.11668	1.0
153.06894	1.2
155.08546	3.8
157.06470	6.4
157.10127	2.2
158.07265	11.7
159.08043	10.3
159.11639	3.0
169.10133	1.6
171.08035	1.7
171.11757	1.1
172.08865	1.9
173.09660	2.1
173.13300	2.3
183.11626	1.4
187.11147	1.6
187.14818	2.1
197.13223	1.5
201.12697	2.0
215.17981	1.6
225.16319	2.4
243.17429	100.0
243.21266	4.1
243.28711	1.9
244.17735	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1741
Annotation	Dehydrofalcarinol
Peak:m/z	Relative Intensity
51.87265	1.2
53.03935	6.9
55.01864	6.7
55.05506	7.8
57.03403	2.2
57.06834	1.4
57.07069	18.9
58.36164	1.3
61.32181	1.2
65.03924	3.8
67.05496	17.7
69.03403	5.0
69.07038	5.1
71.76061	1.8
77.03920	1.2
79.05486	18.2
81.03407	19.3
81.07039	12.9
82.82980	1.4
83.04961	2.6
83.08613	3.2
91.05465	58.9
93.03355	1.5
93.07021	13.4
95.04960	10.4
95.08606	7.2
103.05457	3.0
105.07014	18.7
107.04926	10.8
107.08570	5.1
109.06496	1.9
109.10123	3.1
115.05438	37.9
116.06245	7.4
117.07008	37.7
119.04938	1.8
119.08551	8.8
121.06479	3.6
121.10072	2.5
123.08035	3.0
128.06165	2.3
129.06995	14.8
130.07759	2.8
131.04890	4.5
131.08540	28.4
133.06444	4.7
133.10100	5.5
135.08058	1.4
135.11623	2.6
141.06966	8.9
142.07782	1.7
143.08546	6.3
144.05659	6.3
144.09288	1.5
145.06467	43.6
145.10115	11.0
146.07124	1.4
147.08041	2.9
147.11720	1.4
154.07768	1.6
155.05956	2.7
155.08530	7.8
155.22453	1.5
157.06461	4.2
157.10074	5.3
158.07224	5.7
159.08038	26.4
159.11671	4.9
161.09630	2.4
161.13257	3.1
169.10095	5.2
171.07983	1.8
171.11626	2.1
172.08792	2.5
173.09624	4.7
173.13132	3.2
183.11676	4.0
185.13300	1.5
187.11198	3.5
187.14871	2.0
197.13258	2.4
201.12718	2.7
215.17938	4.0
225.16360	4.1
243.17404	100.0
243.21297	3.4
243.28662	1.5
244.17694	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.174
Annotation	Dehydrofalcarinol
Peak:m/z	Relative Intensity
51.02351	1.5
53.03942	20.0
55.01868	9.8
55.05499	12.7
57.03400	1.2
57.07066	16.7
63.52876	1.2
65.03928	10.8
67.05495	17.3
69.03397	2.8
69.07072	6.6
70.08910	6.2
72.55119	1.4
79.05482	32.4
81.03407	37.2
81.07056	11.1
83.04967	2.3
83.08582	1.7
91.05470	62.5
93.03389	4.0
93.07024	13.1
95.04954	13.0
95.08591	6.6
103.05441	5.6
103.67250	1.5
105.04496	1.3
105.07011	21.8
107.04931	24.7
107.08572	4.8
109.06508	1.8
109.10099	3.3
115.05439	20.5
116.06219	9.8
117.07005	28.7
118.04280	1.2
119.04938	1.5
119.08579	6.8
121.06467	4.3
121.10128	2.4
123.08054	1.5
128.06175	5.6
129.06978	22.4
130.07695	3.8
131.04918	8.8
131.08551	29.7
133.06453	3.3
133.10091	3.3
135.29802	1.1
141.06967	12.1
142.07721	2.0
143.08559	7.8
144.05695	11.8
145.06476	15.8
145.10080	13.1
147.07988	1.2
147.11658	1.5
149.09506	1.2
153.06961	3.3
154.07727	2.8
155.05954	1.5
155.08536	9.0
157.06480	3.3
157.10103	3.4
158.07292	6.8
159.08051	21.1
159.11667	5.0
161.09558	1.4
161.13237	4.5
163.11139	1.3
167.08546	1.5
169.07619	1.5
169.10109	4.2
171.07970	1.8
171.11638	1.7
172.08827	2.1
173.09583	9.1
173.13229	4.0
175.14764	1.8
181.10089	1.3
183.11742	3.0
187.11235	2.6
187.14806	1.9
197.13081	1.2
199.11131	1.3
201.12616	1.8
215.17850	2.4
225.16383	3.9
240.10469	1.1
243.17403	100.0
243.21240	4.3
243.28601	1.8
244.17821	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63586	0.1
54.89405	0.1
55.05513	0.1
56.96568	0.4
67.90117	0.1
71.72421	0.1
75.86705	0.1
81.29596	0.1
82.99426	0.2
82.99883	0.3
97.98617	0.1
98.97570	0.9
101.00875	2.0
101.01506	0.1
115.79365	0.1
116.98606	1.2
118.02345	0.1
119.01913	14.6
119.10354	0.1
120.01923	0.2
122.97842	0.2
123.60361	0.1
123.98562	0.1
133.03568	0.1
134.99767	1.5
135.99924	0.1
136.04590	0.1
137.02946	5.2
140.98891	0.4
142.03500	0.6
148.46997	0.1
153.00938	0.8
156.97504	0.1
158.01224	0.1
158.99854	1.2
160.00014	0.2
160.04547	0.2
165.99600	0.2
175.03049	0.5
177.00938	28.8
178.01035	1.5
179.00993	0.2
182.99747	0.6
184.04602	0.1
193.04018	0.7
195.01990	0.6
197.00667	0.2
198.00157	0.2
199.03008	0.2
200.02574	1.0
201.00897	1.3
201.02480	0.5
202.00900	0.3
213.02530	0.1
215.01677	0.2
215.03886	0.2
217.04066	3.8
218.03554	0.6
219.01984	31.0
219.94560	0.1
220.02127	3.3
220.04330	0.2
221.01866	0.7
225.00819	2.4
226.00975	0.2
227.99591	0.2
234.00650	0.1
237.02942	0.1
237.98686	0.2
238.03317	0.2
240.05649	0.2
242.03563	1.2
243.01917	8.1
244.02129	0.4
260.04590	0.3
261.03033	100.0
262.03159	4.1
263.03406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	12.4
56.96565	8.8
57.03418	21.0
57.40450	4.9
58.06603	12.5
61.02905	15.3
62.32565	6.2
69.03414	5.4
70.78267	15.2
71.01346	6.7
72.93764	10.1
72.98030	5.9
73.02898	15.4
79.35881	4.8
80.04993	5.6
84.08083	5.6
85.02895	23.0
87.04452	11.3
87.67419	5.4
89.02354	6.0
97.02905	9.0
100.02472	12.2
101.02377	34.9
113.96386	15.7
115.03922	36.5
119.01921	7.6
129.01836	24.4
131.01848	6.9
131.97437	6.2
133.03471	18.0
139.02612	5.5
143.03368	23.4
144.99806	10.2
151.04515	8.0
157.01328	42.6
161.04422	16.2
168.01419	8.3
172.99330	12.5
175.22972	5.4
187.01021	6.5
189.03917	100.0
189.05479	10.0
191.00296	7.1
196.00917	18.9
204.23546	5.3
227.95865	7.4
228.03534	9.9
242.15778	66.2
260.13699	5.2
264.61890	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1583
Annotation	Dehydrofalcarinone
Peak:m/z	Relative Intensity
53.00304	1.3
53.03932	2.1
55.01862	4.9
55.05503	12.0
55.60328	1.3
55.89405	1.2
57.03423	2.1
57.07066	22.2
57.64824	1.2
57.74299	1.2
63.02364	4.2
65.03654	1.0
65.03933	7.8
65.63552	1.1
67.05498	10.3
69.03440	1.6
69.07059	5.1
71.08643	1.9
71.35847	1.4
71.36175	1.4
79.05490	12.5
81.03412	1.7
81.07043	4.7
83.04951	2.2
83.08603	2.5
85.10172	49.7
89.03903	18.7
90.66948	1.1
91.05474	22.9
93.03348	2.8
93.07033	7.8
95.04964	4.5
95.08598	12.7
101.06841	1.1
102.11301	1.3
103.05459	6.8
105.03359	1.8
105.07026	8.4
107.04931	2.3
107.08580	2.7
113.09629	47.9
115.05434	38.3
116.06215	3.3
117.07005	14.9
119.08587	6.4
121.10115	2.4
127.05418	4.7
128.06206	99.6
129.06989	48.3
130.07756	1.7
131.04938	2.0
131.08563	12.4
133.10175	2.0
141.06976	21.6
142.07730	12.9
143.04944	1.3
143.08556	20.7
145.06461	12.6
145.10110	4.6
152.06210	3.9
153.06967	3.8
155.06049	6.7
155.08540	9.6
156.09311	3.8
157.06479	11.6
157.10120	9.8
158.79097	1.2
159.11647	8.1
165.07001	5.7
166.07758	3.4
167.08519	3.4
169.06482	4.7
169.10121	3.8
170.07211	7.4
171.08040	21.5
171.11673	6.0
173.13275	6.7
179.08592	1.7
181.10091	2.1
183.11658	2.0
184.08778	2.0
185.09706	2.5
185.13216	5.4
187.14851	1.3
199.14755	7.5
213.16324	2.7
214.13530	1.5
231.75266	1.3
241.08888	3.1
241.12093	2.5
241.15852	100.0
241.19437	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1544
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03940	0.3
55.01856	0.5
55.05502	0.6
56.96289	0.3
56.96555	2.2
57.03417	0.6
57.07050	0.3
57.64783	0.2
58.06595	17.1
61.02928	1.2
69.03404	0.9
69.07059	0.6
69.82048	1.4
70.06584	3.0
72.08138	0.6
73.02910	0.8
73.35766	0.2
77.00874	0.4
81.03406	1.1
81.07043	0.4
82.06586	0.3
83.04949	0.3
83.06055	0.3
84.04487	0.4
84.08135	9.7
85.02887	1.0
85.06526	0.7
86.09677	0.2
88.70461	0.2
91.05455	0.4
93.03708	0.7
95.04978	0.2
95.08601	0.2
97.02869	1.1
97.10149	0.3
98.06030	0.5
98.09693	1.9
98.20721	0.4
98.97603	1.0
99.04472	0.3
100.11240	0.5
101.00867	0.2
102.25829	0.2
110.07140	0.4
114.05506	0.4
115.02422	0.3
116.07090	0.3
116.98622	1.5
117.01865	0.2
118.03548	1.1
119.01907	2.8
119.04962	0.2
120.01994	0.3
121.01647	0.4
126.09126	0.3
127.03936	0.4
128.10699	3.1
129.10240	0.3
130.25848	0.2
131.01875	2.2
132.02061	0.3
133.01633	0.3
133.03423	0.5
134.05965	0.3
134.99638	1.5
136.04533	0.8
136.06157	1.0
136.07608	0.3
137.02933	1.2
137.05894	0.7
137.06651	0.4
141.05086	0.6
143.01828	0.3
144.10167	0.9
145.03394	0.3
146.99673	0.4
147.01289	0.3
149.02937	1.0
152.10654	0.3
153.00594	0.2
154.03568	0.2
155.01929	0.3
156.01723	0.3
156.97438	0.7
157.10095	0.2
158.08063	0.3
158.97232	0.7
158.99646	0.2
159.06125	2.1
160.04520	0.4
161.02953	0.3
163.04454	0.3
164.07043	2.5
168.10223	1.1
172.04523	0.5
173.02904	0.7
174.98569	0.8
175.98552	0.3
176.98274	1.5
177.00839	0.4
177.02458	0.4
181.01239	0.4
187.04419	0.3
190.01257	0.8
190.98636	0.5
191.02386	0.3
191.04013	0.3
195.06154	0.2
196.09677	5.1
198.98529	0.9
200.03922	0.2
201.00780	0.4
201.02419	1.6
205.29242	0.2
212.98172	0.2
213.02397	0.3
213.15941	0.6
215.01781	0.2
216.99814	0.7
218.05106	0.9
219.01677	0.5
219.03525	1.6
221.05156	0.3
230.99435	0.4
231.03421	0.3
236.06264	0.4
240.97777	0.4
241.15446	100.0
242.05042	0.4
242.15878	2.0
258.98898	1.7
259.02863	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.8
55.05513	12.9
57.03151	5.5
57.03431	100.0
57.07057	3.1
64.58987	2.5
67.05499	18.8
67.21444	2.3
69.03437	3.0
69.07066	11.2
71.04971	2.9
71.73848	2.2
73.94189	2.1
76.32980	2.1
79.05487	25.0
81.03423	6.6
81.07050	17.6
83.04969	6.7
83.08603	10.9
91.05485	10.4
93.03711	7.2
93.07040	34.4
94.93580	2.4
95.04983	5.9
95.08604	31.8
97.02869	2.8
97.06524	3.0
105.07013	7.5
107.04935	7.3
107.08574	20.6
109.06516	2.8
109.10149	4.8
117.07027	7.1
119.08520	10.9
121.06522	5.7
121.10156	17.6
125.06010	5.7
129.07016	4.4
135.11687	25.6
139.11261	3.1
143.08514	4.9
145.10127	18.2
147.04413	5.0
149.09564	2.8
153.05467	10.5
157.10106	3.1
162.57349	2.3
163.11186	46.3
165.05487	2.6
165.07080	2.3
166.96092	2.6
170.05740	7.1
181.10489	2.7
181.12225	10.4
185.08089	14.5
185.13260	2.9
193.04962	19.1
195.08029	4.8
197.04416	5.3
199.03773	2.5
199.07625	4.3
208.07262	36.1
213.16136	2.9
223.09604	5.4
227.12740	64.3
241.08528	13.7
241.10568	56.7
241.15868	5.1
241.19696	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	1.5
51.02373	1.9
53.03939	14.9
55.01868	6.6
55.05502	15.9
56.96544	1.6
57.03428	52.7
57.07066	1.2
59.25815	1.0
63.02377	2.0
64.02643	0.9
65.03933	5.5
65.97160	1.1
67.05497	40.9
68.05841	1.1
69.03413	4.7
69.07057	8.9
71.01339	4.3
71.04978	3.2
71.75381	1.4
77.03918	4.7
78.04713	1.6
79.05480	100.0
80.05820	1.3
80.06258	2.9
81.03413	9.6
81.07047	14.5
83.04966	17.4
83.08606	12.9
84.08147	1.0
85.02883	2.2
85.06526	1.8
89.03902	50.0
91.05482	11.9
93.03680	3.5
93.07030	49.0
95.04954	49.3
95.08588	17.1
96.05730	4.1
97.06522	2.9
98.97577	1.7
99.04438	1.2
99.08081	1.4
103.03941	3.2
103.05452	6.1
105.03364	5.3
105.04486	6.2
105.07011	7.0
106.04134	2.9
107.04922	8.4
107.08565	10.3
109.06508	1.3
109.10133	1.5
109.16155	1.0
115.05442	7.6
116.06203	1.1
116.98587	2.1
117.03360	30.7
118.04163	1.2
119.04907	2.0
119.08569	3.9
120.08582	1.0
121.06502	1.9
121.10130	50.8
123.08056	2.2
125.09558	2.3
128.06203	22.0
128.07167	1.3
129.05522	1.1
129.06999	9.2
130.14297	1.1
131.04913	7.0
131.08549	12.0
133.02853	7.5
134.03616	22.5
134.04549	1.7
135.04396	44.1
139.11156	13.0
141.06966	7.6
142.07748	8.0
143.04857	5.2
143.08546	16.2
145.02832	29.5
145.03790	0.9
145.06473	3.2
147.04337	6.4
149.09584	10.6
151.03833	1.0
152.06210	10.0
153.07001	6.1
154.07779	1.4
155.04919	2.7
155.06065	1.9
155.08524	2.9
156.05685	7.1
156.09306	1.3
157.02852	1.7
157.03996	2.3
157.06479	6.9
157.10132	5.5
159.04407	9.0
161.02321	4.3
162.03133	4.1
163.03885	89.1
165.06969	7.4
166.07713	2.1
167.08553	13.2
167.10645	7.7
169.06450	7.0
169.10056	2.0
170.07263	5.6
171.04448	2.4
171.08040	25.1
171.11674	1.7
172.08708	1.5
173.02440	2.1
177.07066	2.8
180.09221	1.3
181.05119	1.2
181.06404	6.4
182.07198	1.3
183.04373	1.5
183.08046	2.9
184.05168	19.3
185.05948	5.2
185.09601	8.8
185.13249	2.4
186.05469	2.4
187.03917	2.1
193.37778	1.1
195.08041	14.8
197.05995	5.3
197.09561	2.4
198.06725	9.3
198.10439	2.9
199.03882	10.1
199.07518	62.5
209.07204	1.2
212.04657	4.5
212.08299	1.7
213.05466	3.1
213.09070	10.1
213.12692	27.1
223.07521	4.5
223.11125	1.4
226.06262	3.6
226.09773	1.2
241.08580	77.1
241.12222	27.5
241.14363	17.8
241.19624	3.0
242.08914	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.143
Annotation	(+)-7alpha,8alpha-Epoxyblumenol B
Peak:m/z	Relative Intensity
52.10660	2.1
53.03927	5.9
55.01856	4.1
55.05506	27.5
57.03432	86.6
57.07076	2.8
57.46172	2.0
58.00269	1.8
59.04998	2.1
60.67459	2.0
65.03936	3.5
67.05499	36.1
69.03429	25.0
69.07063	24.4
69.35367	2.1
70.01804	10.8
71.01331	6.6
71.04942	4.5
72.09645	2.2
75.02666	3.0
79.05485	71.7
81.03402	6.9
81.07049	35.3
83.04506	2.2
83.04971	28.9
83.08601	36.2
85.02894	2.9
85.06553	9.9
86.82539	1.9
87.04440	7.7
91.05473	28.1
93.03700	3.5
93.07033	100.0
95.04936	11.3
95.08588	35.1
97.06525	10.3
97.10158	2.0
98.21370	2.3
99.08073	6.5
101.06000	5.2
103.03936	2.5
105.07012	8.2
107.04913	2.1
107.08575	19.6
107.57304	1.9
109.06515	4.6
109.10159	5.1
111.08075	20.9
112.32854	1.9
115.03909	5.4
119.08548	5.7
121.06477	5.5
121.10130	81.0
123.08058	4.7
123.11676	2.9
125.09570	2.6
129.05472	8.7
129.09097	10.7
131.08546	11.9
132.87587	2.2
133.10101	4.7
135.07991	2.9
135.11662	6.2
139.07520	7.7
139.11150	14.2
140.11601	1.8
142.07729	2.4
142.10136	1.9
143.04929	2.0
143.07014	5.2
149.09595	12.7
149.13223	4.8
151.11168	3.6
157.08643	12.1
157.09828	3.0
159.11710	5.7
167.07065	2.7
167.08521	3.8
167.10669	10.7
177.12750	6.9
185.08051	2.9
185.09561	2.3
195.08038	5.6
195.13750	13.1
199.03703	1.9
212.08249	2.2
213.09007	3.3
216.36510	2.1
223.07745	2.0
223.13327	5.2
234.86932	2.1
241.08551	21.9
241.12503	3.0
241.14319	56.4
241.19479	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10660	2.1
53.03927	5.9
55.01856	4.1
55.05506	27.5
57.03432	86.6
57.07076	2.8
57.46172	2.0
58.00269	1.8
59.04998	2.1
60.67459	2.0
65.03936	3.5
67.05499	36.1
69.03429	25.0
69.07063	24.4
69.35367	2.1
70.01804	10.8
71.01331	6.6
71.04942	4.5
72.09645	2.2
75.02666	3.0
79.05485	71.7
81.03402	6.9
81.07049	35.3
83.04506	2.2
83.04971	28.9
83.08601	36.2
85.02894	2.9
85.06553	9.9
86.82539	1.9
87.04440	7.7
91.05473	28.1
93.03700	3.5
93.07033	100.0
95.04936	11.3
95.08588	35.1
97.06525	10.3
97.10158	2.0
98.21370	2.3
99.08073	6.5
101.06000	5.2
103.03936	2.5
105.07012	8.2
107.04913	2.1
107.08575	19.6
107.57304	1.9
109.06515	4.6
109.10159	5.1
111.08075	20.9
112.32854	1.9
115.03909	5.4
119.08548	5.7
121.06477	5.5
121.10130	81.0
123.08058	4.7
123.11676	2.9
125.09570	2.6
129.05472	8.7
129.09097	10.7
131.08546	11.9
132.87587	2.2
133.10101	4.7
135.07991	2.9
135.11662	6.2
139.07520	7.7
139.11150	14.2
140.11601	1.8
142.07729	2.4
142.10136	1.9
143.04929	2.0
143.07014	5.2
149.09595	12.7
149.13223	4.8
151.11168	3.6
157.08643	12.1
157.09828	3.0
159.11710	5.7
167.07065	2.7
167.08521	3.8
167.10669	10.7
177.12750	6.9
185.08051	2.9
185.09561	2.3
195.08038	5.6
195.13750	13.1
199.03703	1.9
212.08249	2.2
213.09007	3.3
216.36510	2.1
223.07745	2.0
223.13327	5.2
234.86932	2.1
241.08551	21.9
241.12503	3.0
241.14319	56.4
241.19479	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1431
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03933	8.9
55.01854	9.2
55.05500	34.0
56.36624	4.3
56.96549	6.3
57.03418	17.4
57.07062	16.5
59.04969	5.5
61.02916	9.1
67.05498	59.7
69.03425	95.4
69.07054	57.1
71.01349	4.7
71.04980	7.7
71.08604	5.2
71.74238	6.2
75.02666	4.9
79.05473	33.7
81.03407	8.3
81.07041	67.2
81.56720	4.0
83.04968	54.2
83.08612	35.1
84.08138	6.2
85.02910	9.5
85.06522	16.2
87.04459	17.2
91.05466	26.7
93.03706	18.0
93.07029	100.0
95.04960	44.3
95.08595	44.0
97.02902	10.8
97.06519	29.8
98.97592	5.3
99.04411	6.2
99.08073	17.3
101.06007	15.3
105.07024	32.8
107.04948	8.4
107.08588	49.3
109.06505	30.6
109.10138	40.9
110.07204	5.8
111.04435	9.2
111.08061	36.1
115.03922	7.5
115.05418	3.9
115.07547	6.9
117.07033	12.4
119.04932	6.2
119.08559	31.8
121.06511	32.3
121.07248	7.1
121.10126	50.7
122.07280	9.7
123.08048	24.8
123.11725	5.1
125.06017	10.9
127.03956	7.2
129.05493	22.3
129.06960	8.2
129.09102	20.1
131.08524	11.7
133.06473	4.8
133.10123	25.7
134.99603	5.9
135.08038	15.0
135.11676	20.1
137.09596	71.2
139.07547	25.1
139.11180	9.3
141.07005	13.1
142.07738	6.6
143.07033	8.7
144.09404	6.3
145.10098	21.7
147.08023	8.5
147.11714	5.2
147.31737	4.0
149.06044	7.6
149.09624	13.1
149.13239	12.0
151.11172	25.3
152.06148	9.4
153.06956	9.4
153.09067	5.1
155.08582	5.2
157.08572	22.9
157.09973	6.4
159.11667	31.9
161.09618	6.1
163.07539	4.8
163.11130	28.1
167.07022	7.5
167.08510	14.8
167.10628	4.8
169.06529	6.4
169.10123	4.8
170.07253	6.6
175.03935	5.4
175.11218	4.8
177.07039	4.7
177.12740	21.8
179.10693	6.8
181.04968	5.2
184.05234	7.6
185.07919	11.6
185.09483	7.2
187.11223	7.7
193.12210	43.4
195.08102	15.8
195.13718	27.7
197.05936	9.1
197.17336	10.7
198.06631	11.6
199.03798	6.3
205.12204	31.3
212.08342	10.0
213.09085	10.4
223.13283	72.0
226.06273	8.3
241.08513	56.5
241.10501	11.9
241.14287	76.4
241.19768	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59162	1.7
53.03942	9.2
55.01862	6.9
55.05506	26.0
57.03432	88.1
57.07048	2.0
64.65092	1.5
65.03934	3.8
67.04945	1.9
67.05499	48.0
69.03410	6.0
69.07061	21.3
69.91928	11.5
71.01350	8.7
71.04989	7.1
77.03890	2.2
79.05486	100.0
80.06281	1.7
81.03407	9.5
81.07046	25.4
83.04976	22.9
83.08151	2.9
83.08608	28.4
84.59634	1.4
85.02892	3.9
85.21152	1.6
89.03901	13.8
91.05476	22.2
93.03738	3.6
93.07035	89.7
95.04961	21.3
95.08598	29.4
96.05722	1.9
97.06544	4.4
97.10149	2.7
98.20776	2.9
99.04404	2.4
99.08099	4.3
103.03926	5.4
103.05498	1.9
105.03410	1.9
105.04500	3.5
105.07025	13.4
107.04955	7.5
107.08576	18.3
109.10131	4.0
111.08082	2.2
115.05441	3.8
116.06236	2.5
117.03364	11.0
117.07033	2.3
119.08566	8.2
121.06553	1.6
121.10136	92.6
123.08070	5.3
123.15639	1.5
125.09654	4.4
128.06195	8.8
129.06996	11.9
131.08559	24.0
133.02802	2.3
133.06531	1.5
133.10156	3.3
134.03607	6.9
135.04413	14.2
135.07907	1.6
139.11157	19.9
141.06996	6.3
142.07745	3.9
143.08549	6.1
145.02821	11.1
145.06483	2.7
145.10115	2.1
149.09610	26.5
150.11794	1.8
151.11108	1.7
151.81805	1.6
152.06184	8.7
153.06979	4.4
154.07773	2.7
155.08461	3.5
156.05664	2.8
156.09344	1.9
157.06505	7.4
157.10123	4.8
159.04402	3.4
162.03041	2.7
163.03886	28.0
165.06981	4.5
166.07861	1.7
167.08560	11.7
167.10658	18.7
169.06477	2.3
170.07256	3.0
171.07976	4.0
171.11665	3.9
181.05006	2.5
181.06453	2.3
184.05183	8.1
185.05992	2.5
185.09584	5.2
185.11707	2.1
185.13283	2.2
185.97975	1.6
187.04039	2.6
195.08121	11.6
197.05980	6.0
198.06703	3.4
199.03902	5.3
199.07530	25.4
209.11606	1.9
212.04701	4.6
213.05518	3.2
213.09058	10.6
223.07565	4.5
223.13185	3.4
226.06245	7.4
239.31569	1.5
241.04984	2.9
241.08606	71.1
241.12219	15.8
241.14020	31.1
241.16266	3.4
241.19598	5.8
241.21667	2.0
242.09023	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0857
Annotation	Typhaphthalide
Peak:m/z	Relative Intensity
51.02369	2.8
51.35832	0.8
53.03945	13.3
55.01861	6.3
55.05506	8.4
56.96561	0.9
57.03191	1.0
57.03432	11.6
59.60819	0.9
63.02355	1.1
65.03941	5.7
67.05497	33.0
69.03410	3.6
69.07050	2.5
69.57236	6.7
71.01353	0.8
71.04970	1.3
73.02924	0.8
76.20018	0.8
77.03916	5.1
78.04687	3.4
79.05484	84.3
80.06259	3.8
81.03412	8.2
81.07045	7.0
83.04963	12.5
83.08602	3.5
89.03907	57.9
91.05479	6.0
93.03725	1.1
93.06500	1.2
93.07038	11.1
95.04958	51.1
95.08605	4.5
96.05759	5.9
97.06519	1.5
103.05460	5.8
105.03368	4.0
105.04497	5.5
105.06992	2.8
106.04161	4.0
107.04935	7.5
107.08580	2.9
109.06493	1.1
109.10075	1.2
111.72666	1.0
115.05448	7.2
117.03365	36.0
117.07047	1.2
118.04166	1.3
118.06542	1.1
119.04951	2.0
119.08582	1.9
121.09332	1.6
121.10133	10.6
128.06212	9.6
129.03362	1.4
129.06976	8.0
131.04910	7.3
131.08543	2.7
133.02853	8.0
134.03612	26.1
135.04405	52.6
139.11154	2.2
141.06985	7.1
142.07767	6.9
143.04900	5.2
143.08531	7.0
144.05612	1.3
145.02832	38.4
145.06474	3.0
146.03622	4.8
147.04407	6.5
149.09593	2.8
152.06177	11.1
153.06963	4.8
154.07721	2.0
155.04886	2.9
155.06033	1.6
155.08514	2.1
156.05684	5.7
157.02858	2.0
157.04005	2.0
157.06471	8.2
157.10136	4.0
158.06024	1.2
159.04401	8.7
159.08046	1.0
161.02307	3.4
162.03134	4.1
163.03885	100.0
164.04265	1.7
165.06958	6.9
166.07793	1.8
167.08533	12.1
167.10674	1.7
169.06432	6.3
170.07245	6.5
171.04449	1.8
171.08003	9.7
171.11705	1.3
172.08734	1.5
173.02481	2.0
177.06976	2.3
179.08685	1.2
181.06448	5.0
183.04425	1.7
183.08037	2.1
184.05182	13.5
185.02281	1.5
185.05963	4.0
185.09599	8.4
185.13287	1.3
186.05528	2.0
187.03964	1.2
195.08055	14.2
197.05901	5.7
198.06740	8.4
198.10335	1.1
199.03888	9.6
199.07526	27.3
205.06372	1.1
211.07529	1.1
212.04660	3.2
212.08336	1.1
213.05545	2.0
213.09077	9.7
213.12730	4.8
223.07559	5.5
226.06328	5.8
241.08586	76.1
241.12137	11.8
241.14066	1.4
241.15880	3.6
241.19415	1.4
242.08841	1.5
246.97737	1.0
257.10144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0857
Annotation	Typhaphthalide
Peak:m/z	Relative Intensity
51.02374	4.3
51.34398	1.1
53.03943	15.8
55.01860	4.5
55.05496	7.6
57.03428	6.6
57.07066	1.2
65.03916	4.3
67.05500	22.6
69.03414	3.7
69.07044	4.3
69.82951	3.0
69.83358	8.0
71.01347	1.1
75.02664	1.7
77.03913	4.6
78.04688	2.6
79.05486	78.5
80.06252	3.3
81.03408	5.9
81.07069	7.6
81.07455	1.6
83.04970	16.7
83.08609	2.5
85.02892	3.5
85.06565	1.4
89.03912	47.3
91.05473	5.4
93.03730	1.9
93.07048	8.6
95.04958	45.6
95.08590	5.0
96.05756	2.8
97.06548	1.9
100.85745	1.2
103.05443	4.0
105.03366	3.2
105.04501	4.3
105.06996	3.0
106.04166	4.5
107.04962	7.8
107.08589	3.4
109.10120	1.6
115.05457	5.3
117.03362	32.7
117.06993	2.1
117.16805	1.5
118.04162	1.5
119.04929	1.7
121.06541	2.0
121.10143	6.3
123.04349	1.4
128.06207	7.8
129.06993	6.8
131.04916	5.5
131.08534	2.7
133.02846	7.5
134.03621	26.2
135.04411	44.0
141.07002	4.1
142.07791	8.1
143.04922	5.5
143.08563	3.6
144.05675	2.4
145.02831	37.3
146.03589	1.8
147.04330	4.3
149.09586	2.1
152.06206	9.5
153.06985	4.4
154.07689	1.6
154.40672	1.2
155.04958	2.7
156.05679	5.9
157.06511	8.1
157.10164	3.0
159.04404	10.2
161.02335	4.2
162.03122	5.3
163.03896	100.0
165.07002	5.1
166.07782	1.6
167.08540	16.0
169.06464	5.7
170.07272	4.5
171.04362	3.2
171.08080	3.7
171.11652	1.9
173.02370	3.0
177.06941	2.6
181.06487	2.5
183.04420	1.7
183.08122	2.0
184.05200	9.2
185.05991	2.6
185.09621	7.3
186.05495	1.9
187.03932	3.4
195.06520	2.6
195.08055	15.2
197.05972	4.5
198.06737	4.0
199.03903	5.5
199.07497	13.3
210.65346	1.4
212.04659	9.7
212.08380	1.9
213.05522	2.4
213.09055	10.7
213.12598	1.4
223.07545	6.0
226.06226	4.5
241.08583	80.7
241.12070	7.9
241.15855	3.7
241.19580	3.3
242.08994	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0856
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
51.02364	1.3
53.03937	6.0
55.01858	3.7
55.05509	7.0
56.70895	0.6
57.03420	2.1
60.47112	0.9
65.03922	0.7
67.05487	5.0
68.57448	0.7
69.03408	3.2
69.07061	6.3
69.57222	0.8
71.04967	1.4
71.74635	1.2
75.02656	1.0
76.47605	0.7
77.03899	0.9
79.05485	59.5
80.05816	0.9
80.06270	13.0
80.06741	1.3
81.03388	1.2
81.07047	8.3
81.42413	0.7
83.04961	2.0
83.08606	2.2
85.02876	1.3
85.06536	2.2
89.03900	2.9
91.05467	2.2
93.03684	2.2
93.07046	3.7
95.04956	10.3
95.08592	2.6
95.90881	0.7
97.06503	1.4
97.10153	1.1
99.04456	1.0
103.05438	1.4
105.03405	5.3
105.04498	1.9
105.06978	0.9
107.04951	1.4
107.08572	2.2
109.10123	2.0
115.05419	4.7
117.03326	0.7
119.04936	0.8
121.10116	2.6
123.11746	1.2
125.09621	1.1
128.06213	4.1
129.06978	3.7
131.04912	1.7
133.02829	26.7
135.04388	2.0
135.07985	0.9
139.05428	1.2
141.07007	3.5
142.07765	2.9
143.04881	3.5
143.08546	1.6
144.05707	0.8
145.02849	2.9
145.06447	2.1
145.10132	1.2
147.04387	1.8
151.03880	5.1
152.06204	8.8
153.06999	1.7
154.07726	1.0
156.05658	1.5
157.06476	5.4
157.10094	1.6
159.04410	3.0
161.02325	9.1
162.03088	1.4
163.03883	23.3
163.14839	1.2
165.06990	4.6
166.07729	2.3
167.04791	0.9
167.08542	14.2
169.06483	2.6
170.07240	2.0
171.04410	2.2
171.07970	1.8
173.02335	13.1
173.05956	1.5
175.03931	1.9
176.06198	1.1
177.06961	2.8
181.05028	0.8
181.06387	3.7
183.04382	0.9
183.08072	1.3
184.05202	5.8
185.05937	7.3
185.09550	5.2
185.13194	0.9
186.03127	1.6
187.03908	11.4
187.39954	0.7
195.08041	20.7
197.05934	6.2
197.09648	0.7
198.06725	3.3
199.03885	18.0
199.07594	7.6
200.04539	2.0
201.05403	4.2
205.06570	0.9
212.04684	5.1
212.08325	2.4
213.05458	5.1
213.09062	9.8
213.12726	1.0
220.42955	0.8
223.07532	11.4
223.11098	1.4
225.30875	0.7
226.06139	3.5
234.92897	0.8
241.08580	100.0
241.12086	6.6
241.19531	1.8
242.08934	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04876	0.7
53.69724	0.7
56.96569	3.9
57.07068	11.4
60.04520	0.7
65.03951	0.7
66.29500	0.7
67.05495	0.7
68.05023	1.1
69.03432	1.0
69.07056	0.9
70.01921	0.7
70.06579	2.3
70.54572	2.6
72.08148	0.9
73.01074	0.6
73.02921	0.9
74.02411	0.6
75.47208	0.7
78.02312	0.6
79.05466	0.7
79.36890	0.7
80.05035	0.7
81.03405	0.9
81.04543	0.7
82.05311	1.1
83.06103	5.1
83.67930	0.6
84.04471	1.4
84.08125	3.5
85.02883	1.8
85.06537	2.1
86.09689	1.1
90.16583	0.6
90.94829	0.7
93.04513	2.9
95.04966	1.0
95.06076	6.7
95.08578	1.5
97.02883	1.6
98.06069	0.8
98.21360	1.0
98.97504	0.9
107.37299	0.6
107.80968	0.9
109.02888	0.8
110.07154	100.0
111.04431	1.7
112.08701	0.9
116.98642	0.9
117.05730	0.6
117.77431	0.6
120.08089	2.2
124.03947	1.3
125.07044	0.7
129.10233	2.4
134.06018	0.8
136.07524	1.0
136.91490	0.7
138.06662	0.8
148.07570	1.7
155.04683	1.0
156.07671	61.9
174.61676	0.8
194.08095	1.7
194.12898	9.0
195.62900	0.7
196.13234	0.9
203.05887	1.7
221.07014	1.8
222.07664	0.7
222.12491	3.5
240.06630	2.5
240.08708	1.3
240.13522	15.6
240.23128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99140	0.4
53.03933	0.5
55.01859	1.7
55.05503	1.1
56.05029	1.4
56.96561	4.5
57.03432	5.0
58.06589	1.9
58.99857	2.6
59.04992	0.5
59.63219	0.4
60.04511	0.9
61.02917	7.1
65.03939	0.6
67.05499	1.4
68.05007	0.5
68.43470	0.5
68.99781	1.0
69.03418	5.2
69.07081	0.6
70.06585	2.3
70.99834	0.5
71.01334	0.9
71.04981	1.7
71.73151	0.7
72.08145	1.6
73.02905	4.3
75.04481	1.0
77.00901	3.3
80.68133	0.5
81.03400	1.8
82.06579	0.6
84.04490	1.5
84.08144	4.6
85.02892	6.8
86.06046	0.5
86.09679	0.8
87.04473	0.7
89.00886	0.5
91.02454	1.6
91.03998	0.4
91.05466	1.1
94.04045	0.5
95.01333	0.6
95.01929	1.0
95.08578	0.5
97.02882	3.7
98.06094	0.5
98.97536	2.3
99.04429	0.7
99.35615	0.4
100.02473	2.9
101.00864	2.6
101.02395	0.9
102.00945	0.5
103.02429	0.7
105.00350	0.6
105.02907	0.9
109.02857	0.8
109.03508	1.0
110.02139	0.7
110.07166	1.4
111.02906	0.8
112.07570	0.8
113.00814	1.1
114.04060	0.9
115.01389	0.5
115.02419	1.7
116.02129	1.3
116.98604	4.1
117.02914	0.7
117.03990	2.4
118.03461	2.3
119.01897	13.1
119.02673	3.2
119.03543	1.8
119.52775	0.5
120.01928	0.5
121.01622	1.2
124.07635	0.6
125.02641	9.1
125.52728	1.5
126.03362	0.6
127.01492	0.5
127.03912	1.6
128.10666	0.5
128.98651	0.6
129.04031	0.8
129.10225	2.3
130.08582	0.5
131.01868	8.2
131.02708	1.1
131.03503	0.5
132.01999	0.6
132.03423	1.3
132.05093	1.0
133.02448	0.9
133.03439	5.7
134.03528	0.6
134.99654	3.6
135.03238	0.5
135.05055	3.4
136.06166	100.0
136.53450	0.7
137.02960	3.8
137.04535	2.6
137.06459	0.6
137.07877	1.4
138.01617	0.8
138.03421	1.8
139.02393	2.0
139.52380	0.5
142.03467	2.1
143.01843	1.9
144.01622	1.1
145.03444	3.5
145.04897	0.6
146.04984	7.0
146.55099	1.7
146.99585	1.2
147.01346	1.0
147.04942	0.5
148.02887	1.5
149.01218	0.5
149.02867	3.3
151.02463	0.6
151.04521	1.6
152.10789	0.6
153.02071	1.3
153.52269	0.6
154.03511	1.4
155.05469	0.6
156.97450	1.7
157.55743	1.3
157.97527	1.1
159.04979	1.0
160.02937	1.0
160.04547	0.8
161.02948	4.8
162.02896	0.5
163.02663	0.5
163.04462	1.9
164.07065	1.1
165.02106	1.2
166.02888	1.7
167.01942	0.7
167.03761	1.8
168.02681	0.8
171.04994	1.4
172.04553	0.9
172.08070	0.7
172.95183	0.5
173.02945	1.5
173.53778	0.5
174.02744	1.3
174.98544	3.1
175.00877	7.0
175.03377	0.8
175.98656	1.0
176.02368	0.7
176.07822	0.5
177.00818	1.1
177.02406	3.5
179.01953	0.9
179.04010	0.7
180.02635	2.6
180.52774	1.1
183.08430	0.6
185.02885	1.1
187.00879	1.2
188.02386	1.2
188.52394	0.7
189.00615	1.1
189.02402	2.6
189.05998	0.7
190.04025	0.6
190.98643	1.1
191.04018	2.9
193.02000	2.3
195.03308	1.3
197.02946	0.6
198.00145	1.2
198.02409	3.8
198.98438	1.1
199.00832	0.5
201.02444	1.6
203.00351	0.7
203.03949	0.9
204.03656	1.3
204.08752	0.7
205.05565	0.7
207.03510	0.5
213.02478	0.7
213.06053	0.6
214.09157	0.7
215.03889	1.1
216.00900	0.5
216.03352	0.6
216.99782	2.6
217.01897	6.2
218.02055	0.7
219.01694	0.6
219.03558	1.1
221.01402	0.7
226.01933	1.7
233.05026	0.8
234.01678	1.1
235.01163	0.6
235.03088	2.9
240.03474	1.3
240.10866	79.8
241.11299	1.1
241.15440	7.3
243.03363	0.6
253.02284	0.5
258.99664	1.0
259.02887	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86189	1.5
56.53189	1.4
56.96560	3.0
57.03437	2.6
60.04514	1.7
69.03421	2.9
74.06063	1.9
74.61212	1.4
75.79709	1.4
77.00899	2.1
78.01005	1.4
81.03403	4.6
83.31040	1.4
85.02875	3.7
85.23137	1.3
97.02889	2.0
98.97584	8.9
98.98451	3.5
101.00867	1.8
109.02836	3.4
116.98611	9.9
119.01923	10.6
119.39674	1.3
120.02024	4.1
121.01684	1.9
131.01907	1.4
134.99678	4.4
137.02887	2.1
138.96414	4.1
146.03593	2.2
153.00650	1.9
156.97475	82.4
157.03627	2.1
158.03607	2.7
166.99104	2.4
168.97511	1.5
172.95235	2.1
174.98526	93.8
175.98671	2.1
176.96628	2.1
177.00922	2.1
179.99077	8.5
180.00525	2.2
180.97479	2.2
185.96933	3.6
189.01302	2.0
197.00253	3.2
197.47644	2.3
198.00111	20.1
198.95453	2.2
198.98514	41.4
204.04172	1.9
208.02177	1.4
214.96449	5.0
215.96602	2.7
216.01163	14.0
216.96318	46.1
216.99591	100.0
217.44769	1.9
217.99712	2.1
219.02025	4.0
221.01685	1.5
222.00102	5.7
222.05199	4.9
225.95239	4.7
228.45459	2.6
228.99535	10.4
234.47661	2.4
236.98378	2.8
237.00467	2.0
237.45912	3.2
239.97998	27.6
240.01144	10.3
240.06323	5.3
240.98109	1.6
241.01451	2.1
257.97668	7.8
258.02930	18.6
258.97324	2.1
258.99817	3.2
259.02435	5.3
259.21451	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2366
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00298	0.9
53.03933	1.1
55.01863	0.6
55.05503	23.5
57.03428	1.9
57.07068	100.0
59.98042	0.5
65.03935	1.2
66.57211	0.5
67.05496	53.0
69.07061	25.5
71.04987	1.9
71.08620	64.4
72.04507	1.9
79.05479	4.2
81.03401	5.3
81.07047	55.4
83.08609	28.7
83.09119	0.5
85.06540	3.2
85.10170	30.6
88.02209	1.4
88.85036	0.5
89.06018	0.7
91.05479	1.6
93.07029	3.8
95.04945	0.6
95.08595	75.5
96.08914	0.6
97.10156	12.8
99.04453	2.2
99.08067	1.8
99.11710	1.1
109.10144	26.0
111.11700	2.0
118.07783	0.5
119.08551	1.3
123.11694	8.3
129.06973	1.0
133.10124	0.6
137.09570	1.2
137.13240	3.4
143.08688	0.7
151.14784	1.0
155.08586	0.7
165.08981	0.6
169.10124	1.3
171.11668	0.8
181.10007	0.6
183.11620	1.4
197.13254	0.9
206.05673	1.3
209.13275	0.6
211.14702	0.6
237.88295	0.6
239.08821	1.0
239.12674	1.3
239.18095	2.7
239.23682	2.7
242.84521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2002
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
52.52293	2.1
53.03945	2.5
55.01852	7.8
55.05510	14.5
57.03430	20.0
57.07062	10.5
59.04990	5.1
59.69332	3.1
67.05498	43.0
69.03410	8.3
69.07056	38.9
71.04986	17.8
71.06416	2.2
71.08638	2.7
71.75034	3.7
73.02895	2.8
79.05483	18.6
81.03408	84.4
81.07047	55.9
81.70785	2.5
83.04975	10.7
83.08607	13.6
84.04456	2.8
85.02893	13.6
85.06531	38.2
89.06010	6.7
91.05464	45.2
93.07030	42.0
95.04955	10.2
95.08594	100.0
97.02888	5.0
97.06509	10.4
97.10133	7.4
99.04453	4.1
99.08105	11.5
105.07017	25.9
107.08580	44.8
109.06499	7.5
109.10147	41.8
111.04422	7.4
111.08086	6.2
111.11744	3.8
113.09636	6.7
115.05432	2.5
115.07510	3.0
117.07026	3.3
119.08564	49.4
121.06499	6.4
121.10127	40.3
123.04414	3.1
123.08048	7.6
123.11694	17.8
125.09598	6.0
125.12518	2.6
127.11198	4.8
129.06958	3.8
133.10114	14.1
135.08038	3.4
135.11676	12.5
137.05914	3.3
137.09607	28.4
137.13239	9.8
139.07541	3.3
139.11176	7.2
141.07063	2.7
143.08481	3.2
145.10110	4.1
147.08023	9.5
147.11670	18.2
149.13283	5.1
151.07530	2.2
155.08553	4.0
157.10138	3.2
161.13249	8.5
163.07423	3.3
163.14787	12.3
165.07120	2.8
165.09093	16.6
165.12730	6.5
169.10011	2.5
175.14742	5.3
177.16377	6.6
179.07008	5.2
179.10680	2.5
179.14322	2.8
183.08025	3.8
183.11700	5.3
203.17938	26.0
221.15437	4.5
221.18954	13.6
239.06958	5.5
239.08894	11.5
239.12634	22.5
239.16167	3.5
239.18120	5.2
239.19943	12.0
240.12344	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1639
Annotation	Canusesnol H
Peak:m/z	Relative Intensity
53.03942	6.5
55.01860	11.3
55.05495	10.4
55.45681	3.2
57.03429	21.8
57.07060	15.5
57.07309	3.0
59.04992	6.5
67.05495	32.7
69.07061	29.8
69.42712	3.5
71.04983	13.4
71.08637	6.3
71.31561	6.9
71.31900	6.3
79.05492	23.3
79.44997	3.5
80.05858	3.4
81.03415	100.0
81.07050	41.1
83.04959	12.2
83.08585	6.6
85.02882	4.8
85.06524	10.1
89.06032	9.9
91.05475	42.6
93.07027	30.0
95.04969	7.8
95.08599	34.0
97.06547	8.4
97.10139	7.6
99.04439	29.3
101.06003	3.9
105.07027	43.7
107.08572	17.0
109.06517	14.3
109.10132	16.0
109.63093	3.3
111.08099	4.0
111.90082	3.4
117.07021	5.8
119.08585	57.3
121.06508	6.3
121.10139	12.1
123.08063	21.4
123.11713	6.2
128.06178	4.2
129.06987	8.2
131.08522	10.6
133.06512	6.1
133.08562	4.0
133.10118	14.6
133.62314	3.3
135.08051	8.4
135.11699	4.0
137.05893	4.2
137.09573	28.8
143.08578	5.6
145.10100	5.3
147.08032	26.3
147.11685	11.6
149.09654	5.1
153.09081	15.3
155.08539	6.6
157.10112	4.2
159.11702	4.2
161.09612	9.2
161.13234	39.6
163.11143	5.5
165.07072	5.7
165.09116	25.3
169.10124	6.1
175.11237	5.5
175.14861	13.0
179.14252	7.6
183.10233	7.2
183.11716	7.9
185.13292	17.9
189.12738	6.4
192.91077	5.5
193.12529	3.5
193.15880	5.2
195.11836	4.1
195.13835	3.5
197.13126	3.2
203.14299	47.9
206.10849	4.5
210.13997	4.3
210.92131	4.3
211.07634	5.0
214.81895	3.6
221.15341	47.7
234.32634	3.4
239.06946	7.4
239.08896	8.7
239.12500	18.9
239.16052	31.8
239.18350	7.8
240.12349	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.8
55.01867	7.0
55.05496	5.1
57.03428	24.6
65.03930	1.8
67.05494	26.9
69.03412	4.2
69.07054	4.9
71.04981	2.6
71.19140	1.8
74.00143	0.8
79.05479	15.2
81.03405	37.4
81.07041	10.5
83.03918	0.7
83.04968	9.4
83.08606	1.1
85.02913	1.1
91.05466	100.0
92.05824	1.0
93.07034	23.0
95.01310	0.9
95.04950	8.9
95.08583	8.7
97.02877	4.8
97.06524	3.3
99.04465	1.2
103.03920	2.6
103.05451	2.6
105.04490	0.8
105.07023	20.0
107.04951	7.2
107.08611	1.7
109.06506	3.7
109.10125	6.5
115.05441	0.8
117.07008	7.0
119.08563	67.8
120.08896	1.5
121.06490	8.8
121.10130	1.1
123.08047	2.4
128.06209	1.5
129.05540	1.1
129.06990	9.3
132.05733	1.1
135.08044	10.3
137.09593	18.9
147.08026	30.7
147.11751	0.8
148.08423	0.8
165.06989	1.5
165.09088	17.9
169.08621	3.0
169.10098	0.7
183.10242	1.0
195.06468	1.1
206.05730	1.3
221.15422	1.7
229.65543	0.9
239.07051	1.8
239.09096	1.4
239.12721	13.1
239.16273	1.0
240.12570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75460	0.3
52.14094	0.3
53.03937	3.2
53.18083	0.4
55.01867	1.8
55.05499	1.5
57.03432	14.5
57.07070	0.3
65.03915	0.4
66.92175	0.3
67.05499	6.5
67.29810	0.4
69.03425	1.7
69.07064	2.7
69.77467	2.2
70.06547	0.4
71.01350	0.9
71.04976	1.7
73.06551	0.4
77.96042	0.3
79.05486	5.3
81.03407	100.0
81.07050	4.4
81.33427	0.3
82.03751	0.8
83.04974	2.8
85.02901	0.7
85.06528	0.3
89.02370	0.4
91.05470	20.0
93.07029	7.6
95.01289	0.5
95.04963	2.5
95.08591	5.3
97.02885	2.0
97.06520	1.3
97.66783	0.4
98.21525	0.4
99.04441	0.4
103.05456	0.8
105.07024	2.5
105.42983	0.3
107.04948	0.5
107.08571	1.0
109.06472	1.6
109.10164	2.7
117.06995	2.3
119.08566	16.9
119.81953	0.3
121.06490	5.0
121.10150	0.4
123.08057	2.0
123.11729	0.4
125.09590	0.5
128.06171	0.4
129.06973	1.3
133.10100	0.5
135.08035	0.5
137.09602	17.7
145.04933	1.3
147.08020	5.7
165.09099	14.2
179.10660	0.5
179.14291	0.9
183.10117	1.3
183.11612	0.4
184.34460	0.3
239.12740	21.6
240.12836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.7
55.01852	2.4
55.05501	3.0
57.03432	17.1
57.07066	4.6
67.05497	8.5
69.03421	1.8
69.07056	6.0
71.01316	1.2
71.04979	2.7
71.08608	1.5
71.75036	1.7
79.05500	4.7
81.03409	100.0
81.07052	7.3
82.03701	1.0
83.04988	3.7
83.08584	1.7
85.02882	1.1
85.06503	1.6
85.10172	1.0
89.06006	1.6
91.05463	18.5
93.07024	6.2
95.04961	3.1
95.08601	9.2
97.02892	2.4
97.06529	1.0
97.10197	0.8
99.04446	8.2
103.05439	1.3
105.07005	5.7
107.08562	1.9
109.06519	1.6
109.10161	4.4
117.07008	2.6
119.08569	19.4
121.06468	5.4
121.10090	1.3
123.08036	3.4
123.11669	1.1
129.06967	2.2
133.06480	15.9
133.07481	1.2
135.08009	1.1
137.09602	19.5
145.04982	0.9
145.10185	1.2
147.08020	6.0
147.11700	1.3
149.09557	1.2
155.08527	1.9
165.09100	15.1
169.10136	1.8
183.10152	1.9
189.12692	1.4
197.13252	2.1
206.05667	2.0
239.08928	2.4
239.12599	18.5
239.17999	3.3
240.12624	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.091
Annotation	Sclerotinin B
Peak:m/z	Relative Intensity
55.01859	0.4
55.41304	0.2
57.03428	61.1
58.03767	0.3
65.03941	0.4
67.05504	0.8
68.99786	0.6
70.68862	1.0
79.05471	1.6
81.03419	1.2
81.07055	0.8
82.87777	0.3
83.04937	0.3
85.02900	1.9
89.06020	0.3
91.05447	1.8
93.03365	1.5
93.07049	0.7
95.04961	0.9
95.08606	0.8
99.04433	0.9
103.05459	4.2
105.03381	0.8
105.07018	2.3
107.04938	3.5
107.08562	0.4
109.10120	0.5
115.05439	0.8
117.06945	0.5
119.08591	0.9
120.05698	1.8
121.06498	1.1
123.04359	0.4
125.05944	0.5
130.04134	0.4
131.04910	2.8
132.05655	0.3
132.75961	0.3
133.02780	0.3
133.06480	0.8
135.04395	2.1
135.08028	5.7
137.09599	0.6
145.06480	1.1
147.04399	2.2
147.07986	0.3
148.05150	1.5
149.05969	0.7
159.04378	0.9
161.02327	2.8
163.03877	5.5
163.07513	9.1
165.05486	1.3
173.05948	1.1
174.01154	0.3
175.03809	0.5
176.04660	1.0
177.05516	0.5
179.03348	0.6
179.07037	0.3
181.04935	0.9
182.52435	0.2
183.06548	0.8
191.03368	6.9
191.07014	5.4
192.03856	0.4
193.08601	0.7
195.02861	4.8
195.04523	0.4
205.04977	1.3
206.05714	100.0
207.06096	2.3
221.08058	25.4
222.08409	0.4
224.06758	0.6
236.62146	0.3
239.09102	54.7
239.18243	0.6
240.09450	0.9
240.12132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.221
Annotation	Bombykal
Peak:m/z	Relative Intensity
51.04563	1.2
53.03949	3.0
55.01857	5.0
55.05505	80.9
57.03414	5.3
57.07068	43.3
58.07382	1.3
62.97803	1.2
65.03911	2.8
67.05496	77.3
68.25320	1.2
69.07059	97.0
71.04981	6.5
71.08623	14.8
71.66764	2.3
75.59385	1.3
79.05012	2.7
79.05479	49.0
81.07046	100.0
83.04989	8.3
83.08608	87.8
85.06518	5.1
85.10173	3.7
91.05461	7.5
93.07031	58.3
95.04962	3.2
95.08595	67.1
97.05937	2.3
97.06519	34.8
97.10155	43.9
99.04424	2.8
99.08077	3.5
101.09672	2.0
105.06998	4.7
107.08575	41.3
109.06507	2.2
109.10140	30.7
111.04449	2.1
111.08070	19.2
111.11697	8.1
113.09629	2.9
114.05525	1.3
115.11132	2.6
117.07016	1.7
119.08557	2.1
121.10127	92.2
123.11688	28.3
125.09605	7.2
125.13224	2.0
127.11170	3.9
131.08530	3.2
135.11676	66.2
137.13220	19.0
139.11133	5.1
141.12717	4.3
142.05055	1.4
145.10037	1.4
149.13240	25.8
151.14793	3.4
153.12665	2.3
158.54738	1.6
163.14798	11.1
177.16380	4.2
181.04938	1.6
181.10072	2.4
191.10632	2.6
192.06519	2.5
201.16321	1.8
209.11661	3.5
219.21048	69.8
237.07608	4.2
237.10919	1.9
237.12932	2.1
237.22105	95.2
238.22545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1844
Annotation	[R-(R*,S*)]-6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one
Peak:m/z	Relative Intensity
53.03942	4.2
55.01857	8.3
55.05505	47.8
57.03435	2.5
57.07066	27.6
59.04996	3.1
63.13689	2.5
65.03923	2.7
67.05493	23.3
68.05047	2.3
68.99783	16.9
69.03425	6.7
69.07056	100.0
71.04981	6.0
71.30521	3.5
71.30873	3.9
72.55850	2.3
73.65878	2.5
79.05485	14.5
81.03403	3.4
81.07043	39.5
83.04967	26.2
83.05418	3.3
83.08605	17.0
85.06513	6.4
85.10199	2.8
90.46851	2.6
91.05459	12.4
93.07030	32.6
95.04961	9.4
95.08598	33.1
97.02896	3.5
97.06503	16.7
97.10169	6.1
99.04417	3.0
105.06998	20.2
107.04938	7.0
107.08593	25.0
109.02892	4.4
109.06506	6.8
109.10154	34.1
111.04432	15.1
111.08067	8.8
111.11711	60.4
114.05558	3.3
117.07005	3.8
119.08550	14.2
121.06481	6.1
121.10125	49.7
123.08054	8.2
123.11669	13.0
125.02272	2.8
125.05966	13.6
125.09592	3.5
127.11202	5.8
130.67003	2.7
131.08546	5.8
133.10136	7.8
135.04413	7.3
135.08052	8.9
135.11667	20.7
137.05984	4.8
137.09592	4.3
137.13246	5.6
139.07535	3.6
139.11140	19.9
141.09189	2.5
142.04970	3.9
145.10115	10.9
146.06039	2.9
147.11653	6.8
149.02312	5.4
149.05951	3.4
149.09589	9.6
149.13266	4.4
151.11165	11.4
153.05464	9.0
153.09042	5.1
153.12762	5.3
159.11693	9.6
161.13316	4.6
163.03882	7.7
163.07489	3.7
163.11194	10.0
163.14786	5.4
164.07045	5.0
167.10614	3.7
173.13278	3.1
177.09158	3.6
177.12616	2.8
179.08553	3.0
179.10747	2.4
181.04965	14.8
181.12225	31.4
191.10641	31.0
191.14383	4.0
191.17929	6.8
192.06544	19.7
193.04922	3.0
195.10146	11.9
195.11684	6.0
201.16347	8.4
203.07095	3.8
207.11674	3.1
209.11681	22.3
209.13379	3.6
219.06584	3.0
219.10120	10.2
219.17447	10.7
219.20959	4.7
222.10391	4.5
237.07452	6.5
237.10834	14.8
237.14758	6.0
237.16582	4.7
237.18459	32.3
237.22028	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1845
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
53.03939	1.0
55.01865	1.3
55.05505	4.7
57.03440	0.9
57.07072	5.0
67.05494	6.6
68.99773	0.7
69.03414	0.6
69.07059	10.3
69.97154	0.5
71.04981	24.5
71.05376	1.2
71.66572	1.1
72.87080	0.5
72.92764	0.5
79.05477	3.7
81.03407	0.6
81.07044	29.4
82.07385	0.7
83.04974	3.1
83.08606	2.8
84.04474	0.8
85.06540	1.4
91.05460	2.7
93.07029	5.2
94.95834	0.6
95.04948	8.3
95.08588	12.0
97.06507	2.8
97.10149	0.6
99.04441	11.2
99.08089	0.7
105.07004	4.5
107.08583	5.8
109.06510	2.5
109.10138	5.8
111.04436	0.6
111.08088	1.1
111.11694	0.6
113.05977	0.7
114.05555	0.9
117.07007	0.8
119.04910	0.6
119.08546	4.8
121.06475	0.7
121.10126	7.0
123.11686	100.0
124.11983	1.3
125.05973	1.1
125.06949	0.5
125.09600	0.9
127.07513	1.3
131.08569	1.7
133.10078	2.7
135.08005	1.0
135.11676	3.8
137.09627	1.0
137.13213	1.6
139.11156	1.2
142.05035	0.7
145.10097	2.8
146.06036	0.5
147.11667	2.3
149.02298	1.7
149.09613	0.8
149.13249	1.4
151.07518	1.0
153.12820	0.6
155.10619	0.6
159.11665	3.3
161.13232	1.5
163.11128	1.6
164.07112	0.6
165.06932	0.5
165.12770	0.7
167.14296	0.5
173.13237	0.9
175.14812	3.3
177.05385	0.8
177.12617	0.6
177.16348	2.0
179.07043	0.7
179.14265	0.8
181.04980	0.7
181.12172	1.9
191.17903	0.8
192.06569	1.7
193.04982	1.3
195.11656	1.0
201.16362	5.0
205.05040	0.6
207.06508	0.6
209.08141	0.7
209.11674	2.0
219.10013	0.7
219.13962	0.7
219.17398	5.4
219.21019	0.9
237.07443	3.0
237.14647	1.4
237.16449	1.8
237.18454	18.6
237.22121	2.1
241.90581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1846
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
52.28576	2.5
53.00278	2.7
53.03941	7.1
55.01863	25.0
55.05507	63.4
56.96560	6.3
57.03440	5.0
57.07063	10.4
59.04990	7.1
64.68749	2.6
65.03931	3.1
67.05500	26.8
69.03438	5.3
69.07051	18.3
71.04988	33.3
71.08611	4.5
71.74431	4.0
79.05479	22.8
81.03392	4.2
81.07047	54.6
83.04974	77.6
83.05471	4.6
83.08605	8.4
84.04501	6.0
85.02907	4.4
85.06546	3.8
91.05476	32.6
93.07043	39.9
95.04971	17.4
95.08593	39.5
97.02843	2.9
97.06527	22.8
97.10175	5.1
98.09646	5.7
98.97568	5.5
99.04530	3.4
99.08065	6.6
103.05430	4.3
105.07007	50.0
107.04966	5.6
107.08575	36.7
109.06503	13.5
109.10147	43.6
111.04449	7.1
111.08077	13.1
113.09703	3.2
114.05518	7.2
115.05435	5.4
116.98644	3.6
117.06993	8.1
119.04905	3.3
119.08563	14.0
121.06489	11.9
121.10135	42.6
123.04404	4.1
123.08073	11.2
123.11649	19.8
125.09618	11.1
127.11198	8.0
131.08545	16.8
133.06487	3.8
133.10118	100.0
135.04370	2.9
135.08076	13.3
135.11658	17.5
137.05971	3.4
137.09605	7.2
137.13239	3.5
139.11172	22.7
142.04990	8.6
144.05714	5.8
145.06499	3.1
145.10124	18.5
147.04376	4.2
147.11682	14.0
148.07512	3.8
149.02382	10.4
149.05966	4.7
149.09631	8.4
149.13266	15.0
151.07484	5.0
151.11177	38.8
153.12746	9.3
156.13850	10.0
159.07993	2.9
159.11682	24.8
161.05994	3.2
161.09647	3.6
161.13271	6.0
163.11223	7.3
164.06975	3.4
167.14308	3.4
173.13264	7.3
175.14877	3.3
177.05438	6.5
177.12752	10.1
177.16409	4.0
179.07024	6.1
179.72990	2.8
186.10239	3.1
190.07736	3.3
191.03497	2.4
191.07051	5.1
191.08604	7.6
191.10545	3.3
191.14412	4.3
191.17938	4.5
192.04230	6.5
192.06557	9.0
193.04973	6.3
201.12756	3.4
201.16324	15.3
207.06503	8.6
209.08070	5.8
218.07240	3.4
219.08075	12.3
219.13852	8.9
219.17389	25.4
228.10249	3.0
229.07611	3.3
237.03851	4.1
237.07578	25.4
237.09332	11.5
237.14719	21.1
237.18565	40.3
237.22028	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
51.47656	2.6
53.03942	5.8
55.01859	8.8
55.05231	3.7
55.05504	74.2
55.40842	2.4
57.03434	5.4
57.07064	5.6
59.05001	5.5
67.05497	24.8
69.03419	5.2
69.06745	2.8
69.07054	19.9
69.56148	2.4
71.04980	36.8
71.07977	6.2
76.99178	2.4
79.05483	25.3
81.03407	4.3
81.06594	5.0
81.07043	60.3
82.04491	2.3
83.04969	94.8
83.08606	11.8
85.06521	6.1
91.05465	22.1
93.07031	44.4
93.07578	4.1
95.04961	17.2
95.08593	39.7
97.06523	23.5
97.10165	5.2
97.87389	2.4
99.08086	5.3
105.07011	49.4
107.08586	45.3
109.06525	15.5
109.10144	37.5
111.08085	15.4
115.12522	3.0
115.30431	2.9
117.07015	9.6
119.08582	13.1
121.05711	3.0
121.06432	12.1
121.10130	70.3
123.08071	11.9
123.11705	19.5
125.06004	2.8
125.09638	7.3
127.11212	8.3
129.07004	2.9
131.08524	18.6
133.10117	100.0
135.08051	12.1
135.11671	17.4
137.09622	8.6
139.11142	32.7
145.10150	16.6
147.11702	22.9
149.02362	3.6
149.09656	9.6
149.13277	16.1
151.11165	47.7
153.12724	16.4
159.11653	31.5
161.13205	8.5
163.11177	11.3
167.14304	6.4
173.13200	6.9
177.12746	11.2
177.16389	3.9
181.12291	3.4
191.14301	6.5
191.17918	7.1
201.12708	5.6
201.16400	15.4
205.04973	2.7
219.13860	9.4
219.17406	33.9
237.07437	5.7
237.14833	12.2
237.18488	48.2
237.22157	7.0
240.87804	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1845
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03936	3.0
55.01864	100.0
55.05502	51.1
57.03407	5.0
57.07057	6.1
65.03918	3.2
67.05495	16.8
68.77917	1.6
69.03396	5.6
69.07055	16.9
69.97010	5.4
69.97426	3.4
71.04668	1.8
71.04986	24.3
76.70993	1.6
79.05482	16.9
81.03350	1.9
81.06602	3.3
81.07044	39.6
83.04966	60.7
83.08618	3.2
85.06508	4.6
91.05457	20.4
93.07027	28.6
95.04961	15.2
95.08070	2.1
95.08595	21.7
97.02843	2.2
97.06505	13.7
97.10130	2.8
98.97572	3.4
99.04426	2.2
99.08054	5.4
103.05440	3.0
105.07002	30.9
107.04901	3.0
107.08579	28.4
109.02897	2.2
109.06474	7.6
109.10140	27.8
111.04435	2.5
111.08070	9.3
115.05429	2.3
117.03345	2.5
117.06973	7.3
119.04903	7.7
119.08574	11.4
121.02834	2.0
121.06472	6.5
121.10133	33.9
123.08054	8.6
123.11681	15.2
125.09578	7.2
127.07553	2.0
127.11198	9.0
129.06970	3.4
131.04880	2.1
131.08572	10.5
133.06430	2.3
133.10104	52.2
135.08023	6.9
135.11684	13.8
136.05190	2.9
137.05931	2.5
137.09605	3.9
137.13275	2.3
139.11162	19.6
143.10588	3.1
145.10104	12.2
147.04375	7.5
147.11667	12.7
149.02309	10.0
149.09604	2.8
149.13210	11.6
151.10017	3.3
151.11148	35.1
151.94423	1.8
153.12683	9.1
157.10066	2.0
159.11670	19.7
161.13216	4.8
163.07477	4.5
163.11147	6.6
164.04684	11.1
165.05383	1.8
165.12743	2.2
173.06024	2.3
173.09517	2.0
173.13243	3.5
175.03857	8.0
175.14883	1.7
176.04628	2.0
177.01817	2.7
177.05420	7.5
177.12651	3.9
177.16367	2.3
179.06975	6.9
181.04889	3.9
182.62968	1.6
189.09111	3.9
191.06964	7.6
191.14166	3.2
191.17963	3.9
192.04109	18.6
193.04921	3.9
201.09117	2.2
201.16307	11.3
205.04919	11.1
206.05679	5.4
207.03125	1.6
207.06496	28.1
209.08061	4.9
219.06499	2.9
219.10037	4.9
219.13724	5.4
219.17358	20.3
227.13536	1.5
237.07515	57.6
237.14853	8.0
237.18449	28.0
237.22079	7.5
238.07848	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1846
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
53.03932	1.7
55.01865	1.5
55.05507	5.5
57.07064	4.7
67.05495	8.5
68.99809	0.6
69.03421	1.4
69.07058	12.9
71.01333	0.9
71.04984	26.2
71.08585	0.6
77.42847	0.5
79.05482	4.1
81.07047	27.9
83.04975	3.5
83.08604	4.2
84.04478	1.0
85.06521	1.7
91.05473	3.2
93.07044	6.1
95.04961	6.9
95.08602	12.2
97.06519	2.6
97.10113	1.4
99.04440	12.1
99.05044	1.1
99.08075	1.0
105.07001	5.3
107.08582	7.4
107.33324	0.6
109.06503	1.8
109.10133	8.4
111.04409	1.2
111.08086	1.2
111.11703	0.9
113.09673	0.7
114.05469	0.8
119.08570	4.4
121.06495	2.1
121.10138	9.6
123.08078	1.8
123.11692	100.0
124.12047	1.3
125.05978	0.9
125.09615	1.9
127.07560	3.0
127.11165	0.7
131.08554	3.1
133.10135	3.4
135.08112	1.0
135.11652	3.2
137.09651	1.6
137.13266	1.8
139.11171	1.1
141.09084	1.3
142.04987	1.1
145.10107	4.6
147.04453	1.3
147.11679	2.4
149.02324	1.5
149.13242	1.8
151.07451	0.8
151.11194	0.8
159.11665	3.4
161.13222	3.2
163.07542	0.6
163.11143	1.8
163.14743	0.7
173.13248	1.2
175.14809	4.0
176.38016	0.7
177.12714	1.1
177.16383	1.9
179.03436	0.8
181.08614	0.7
181.12196	2.3
191.03264	0.8
191.17990	1.8
192.06561	2.7
193.05066	0.7
195.11783	0.7
201.16368	6.1
205.04947	1.4
206.05655	0.7
207.06438	0.8
209.08293	0.7
209.11703	2.1
219.09935	0.8
219.17439	5.8
222.14040	0.9
237.07494	4.1
237.12851	1.2
237.14729	1.9
237.16553	1.5
237.18484	22.1
237.21960	2.8
238.18741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1231
Annotation	Phe Ala
Peak:m/z	Relative Intensity
53.03927	0.4
55.01858	0.6
55.05494	1.6
56.05044	0.4
56.96547	0.5
57.07069	1.0
67.05490	1.6
68.05001	0.6
69.03403	0.6
69.07052	1.7
70.06578	0.8
71.10820	0.9
72.08161	1.0
79.05470	1.8
81.07052	2.2
83.04958	1.4
83.08615	1.1
84.04498	0.8
84.08125	1.2
85.02859	0.5
86.09670	0.4
91.05465	1.4
93.07043	3.0
94.06532	0.5
95.04971	0.9
95.08591	1.4
97.06490	0.7
97.10153	0.7
98.97575	0.5
103.05458	6.5
105.07047	0.6
107.04969	0.4
107.08606	1.3
108.04456	0.4
109.10146	0.7
111.04400	0.5
114.05509	0.7
118.06509	0.8
119.08609	0.5
120.08093	100.0
121.08437	0.9
121.10143	1.0
129.10254	0.5
131.04938	0.8
131.08641	0.4
135.08006	0.5
135.11649	0.4
136.07524	0.7
137.05974	0.9
139.11183	0.4
142.04990	1.1
145.06483	0.4
145.10126	0.6
146.05975	3.8
147.06842	0.4
148.07573	0.8
149.05980	0.6
163.07600	0.8
164.07069	1.0
174.05539	1.0
191.06853	0.7
192.06549	4.8
193.05016	0.6
219.06520	0.6
219.17694	0.5
237.07585	1.1
237.12488	1.8
237.18420	0.5
237.22069	3.1
238.07025	0.6
238.10751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
55.05502	5.1
57.07071	3.3
67.05498	4.1
68.05006	1.2
69.03413	1.1
69.07064	4.9
71.05009	1.3
71.08640	1.3
71.73180	1.1
71.73594	1.5
72.08144	2.5
74.02442	3.7
79.05491	5.1
81.07050	6.8
83.04979	3.6
83.08633	2.6
84.04512	1.7
84.08134	2.1
85.10172	1.9
86.09682	2.9
91.05487	4.6
93.07052	4.7
94.06579	4.3
95.04964	1.4
95.08608	5.4
97.02859	1.1
97.06510	1.8
97.10188	1.5
99.00851	1.1
103.05496	1.2
104.04965	1.6
107.08597	3.9
108.04474	1.6
109.10168	2.6
110.06033	2.0
111.04451	2.2
114.05531	1.3
115.96458	1.2
118.06535	9.8
119.04926	1.6
120.04444	2.3
120.08104	19.6
121.10141	3.2
122.06036	1.4
125.09596	1.2
128.04994	3.3
130.06509	7.7
131.04929	2.6
131.08604	1.4
132.04451	2.6
133.05240	2.6
135.07993	1.7
135.11655	1.9
136.07590	9.1
137.65666	1.1
139.11182	2.0
142.04944	1.5
146.06003	100.0
148.03922	14.6
150.05428	1.5
157.07617	7.4
159.09175	1.8
164.07109	2.9
166.08629	10.9
172.95247	2.5
173.07088	3.6
174.05481	18.4
191.08224	14.0
192.06557	11.8
202.05011	3.2
203.08183	5.4
213.94121	1.7
219.06223	1.5
219.21036	2.0
220.06035	4.6
237.03740	1.5
237.08916	9.1
237.12735	1.8
237.14803	2.4
237.18301	1.6
237.22046	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0866
Annotation	L-Formylkynurenine
Peak:m/z	Relative Intensity
50.29263	0.5
55.01853	0.5
55.05494	1.3
55.40446	0.5
57.07060	1.5
67.05479	1.6
68.04974	0.7
69.07050	1.3
70.06566	0.8
71.08612	1.0
71.31308	1.0
74.02422	2.8
79.05501	1.1
80.04987	0.8
81.07044	1.4
83.04955	1.6
83.08611	1.1
84.08083	0.6
91.05457	2.5
93.07022	2.0
94.06559	4.3
95.04918	0.6
95.08570	1.4
97.10164	0.7
99.00810	0.9
103.96874	0.5
104.04969	1.2
107.08572	1.3
108.04454	1.0
109.10193	0.8
110.06017	1.8
111.04427	0.6
117.05754	0.6
118.06538	8.3
119.06062	0.6
120.04475	2.5
120.08089	2.0
121.10105	0.7
125.09579	0.6
128.04953	3.9
129.10240	0.6
129.12720	0.5
130.06503	8.5
130.07419	0.9
131.07256	0.9
132.04428	1.6
133.05217	1.5
134.05974	0.7
136.07573	6.4
144.07988	0.6
145.07590	1.3
146.05988	100.0
147.06367	1.5
148.03915	13.2
149.13123	0.6
150.05493	2.0
152.07066	0.9
156.06915	0.6
157.07596	8.3
158.05931	1.0
159.09169	1.7
162.05493	0.6
163.05862	0.8
164.07062	2.6
166.08678	0.8
173.07120	4.0
174.05489	16.3
176.07077	0.6
178.04932	1.8
191.08136	18.2
192.06551	4.8
193.81667	0.5
202.04993	2.2
203.08154	6.5
204.08995	0.8
204.70764	0.5
219.07660	1.3
219.20879	0.6
220.06049	4.4
220.07990	0.8
237.06918	0.6
237.08759	8.3
237.15552	0.6
237.22115	2.1
242.06071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0753
Annotation	7-Hydroxy-3-methoxypereflorin
Peak:m/z	Relative Intensity
50.72443	0.9
53.03931	4.0
55.01860	19.2
57.03426	5.2
65.03942	5.1
65.78493	0.9
67.05495	5.8
68.99767	1.6
69.03439	1.2
69.07055	1.2
71.15516	0.9
71.76632	0.8
72.77577	1.0
78.04707	2.8
79.05483	5.6
80.06261	1.2
80.11021	0.9
81.03412	2.6
81.07069	1.5
83.04953	1.1
85.02870	0.9
89.03875	1.3
90.75220	1.0
91.05466	38.5
93.03385	2.0
93.07024	4.0
95.04955	9.9
95.08606	1.4
97.06485	2.8
101.09713	0.9
103.05450	8.4
105.03365	2.4
105.04456	2.1
105.06991	3.4
106.04143	4.3
107.01332	1.1
107.04926	3.4
108.05743	5.7
109.06502	2.6
110.07339	1.3
117.03368	2.7
118.04115	3.0
119.04926	21.1
121.02844	5.3
121.06496	25.3
123.04413	9.6
123.08042	4.8
125.05957	4.0
130.04092	2.8
131.04881	2.7
132.02060	2.3
133.02812	3.0
133.06502	6.1
134.03587	3.1
135.04410	5.8
136.05174	12.0
137.05960	4.9
138.03101	1.0
138.06734	1.1
139.07452	1.9
146.03560	1.6
147.04385	16.4
148.05148	5.6
149.02322	16.4
149.05945	10.0
151.03877	8.4
151.07513	41.8
151.08730	2.3
153.05429	2.0
159.04407	0.9
161.02316	2.2
161.05934	4.0
162.03099	20.2
163.03912	6.1
164.04655	19.7
165.05400	3.0
166.06248	1.5
170.47862	0.9
174.03131	1.6
175.03891	17.0
176.04660	8.6
177.01772	5.8
177.05444	7.8
179.03389	23.2
179.06996	29.2
181.04927	20.7
181.08513	3.6
189.05475	1.2
190.02577	24.5
191.03317	5.7
192.02385	1.1
192.04149	22.8
193.04849	2.6
194.05716	36.7
195.06531	1.1
204.04234	2.3
205.04924	54.1
206.05714	25.8
207.02953	1.5
207.06490	28.3
208.07187	2.8
209.08052	43.5
209.10045	2.1
219.06470	23.2
219.08444	1.9
222.05148	2.9
237.07541	100.0
237.22238	1.2
238.07954	1.2
253.66029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0755
Annotation	Schinicoumarin
Peak:m/z	Relative Intensity
55.01870	100.0
55.05495	1.6
59.10093	1.1
67.05495	1.3
69.07063	1.3
70.87433	3.4
71.04980	1.6
78.51089	1.0
79.05471	1.5
81.07073	2.8
83.04980	2.9
87.47505	1.1
91.05470	6.2
93.07029	2.5
95.04938	2.9
95.08574	1.8
97.88616	1.2
105.06984	1.2
107.08571	1.6
109.06477	1.2
119.04921	5.7
121.02847	1.4
121.06447	3.5
121.10125	1.2
123.04506	1.1
127.64557	1.0
129.95644	1.0
131.04839	1.4
131.44734	1.2
132.02022	1.8
133.10162	3.0
135.11624	1.3
136.05185	1.6
147.04422	6.5
147.11641	1.4
148.05174	1.8
149.02290	5.9
149.05957	1.7
151.07465	2.5
151.11205	2.1
162.03082	1.6
163.07527	1.6
164.04695	9.3
166.02538	1.3
174.62723	1.3
175.03902	9.5
176.04623	1.4
177.01723	3.7
177.05400	3.1
179.03380	2.3
179.07045	7.7
181.04935	2.1
191.03505	1.1
191.06941	2.1
192.04158	16.5
194.05663	1.6
205.04926	10.9
206.05733	7.2
207.06512	35.4
209.08096	4.2
219.06479	1.4
222.05115	2.2
237.07553	39.7
237.22136	1.3
259.05032	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0755
Annotation	6,7,8-Trimethoxy-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03929	1.5
53.38513	0.7
55.01868	100.0
55.05490	2.9
57.03403	1.9
57.07056	2.2
57.96137	0.9
65.03928	1.2
67.05491	4.9
69.03419	1.1
69.07041	3.6
70.55180	2.6
71.04962	1.7
72.49575	0.8
79.05484	4.9
81.03403	1.9
81.07040	5.3
83.04952	3.6
83.08587	2.6
84.04488	1.3
85.02890	1.1
85.06506	1.2
91.05466	11.0
93.07006	3.6
95.04935	3.1
95.08598	5.8
97.06503	2.5
99.04433	1.5
103.05470	1.5
105.06979	2.3
107.04925	1.3
107.08607	3.8
108.04457	1.2
109.06499	3.0
109.10120	2.4
114.05529	1.2
117.06995	1.0
119.04939	8.8
119.08530	1.6
121.02817	2.1
121.06491	4.1
121.10122	3.3
123.04417	2.1
123.08038	1.2
123.11692	0.9
123.21312	0.8
125.09614	0.8
131.04861	1.0
131.08519	1.8
132.01964	1.1
133.06450	2.2
133.10098	2.0
134.03583	1.2
135.04379	1.6
135.08029	1.7
135.11624	1.8
136.05188	2.6
142.04947	1.8
145.10092	0.9
146.03656	1.2
147.04410	9.4
148.05174	1.6
148.07507	0.9
149.02306	6.9
149.05894	2.4
149.13164	0.9
151.03920	1.0
151.07533	6.0
153.05513	1.0
161.05992	1.8
161.13240	0.8
162.03070	2.0
163.03865	1.3
163.07431	1.3
164.04674	12.5
164.06958	0.9
165.05518	1.3
166.06462	0.8
175.03889	10.3
176.04593	1.8
177.01828	6.1
177.05464	4.4
177.12697	1.4
179.03331	2.6
179.07030	10.0
181.04962	4.4
181.10075	1.1
189.05548	0.9
190.02603	2.3
191.03406	1.3
191.14093	0.8
192.04149	18.5
192.06544	6.9
193.04857	2.0
193.09962	1.0
193.49278	1.0
194.05713	3.8
195.06548	1.0
195.11653	1.4
205.04942	16.0
206.05788	8.2
207.06506	36.6
207.11656	0.9
209.08025	8.9
219.06467	2.6
219.13669	1.6
219.17371	1.5
221.04384	2.3
222.05174	2.6
237.07530	52.8
237.12650	1.6
237.14471	3.8
237.18466	1.6
237.22128	4.5
238.07295	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2053
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
53.03921	3.2
55.01846	2.3
55.05501	14.9
56.96521	0.9
57.03419	3.6
57.07066	38.0
59.04973	1.1
62.11866	0.8
65.03914	2.7
67.05494	82.5
69.03416	12.8
69.07056	16.9
70.45564	2.0
70.45967	1.6
70.86165	0.8
71.04986	4.1
71.08637	5.2
73.10149	0.9
73.10618	0.8
73.18211	0.8
78.76333	1.1
79.05479	26.7
80.26425	0.8
81.07043	100.0
83.04950	4.3
83.08601	9.4
85.06531	11.0
85.10159	4.7
87.68728	0.8
91.05461	26.7
93.07028	34.4
95.04948	6.8
95.08589	81.2
96.08892	0.8
97.06517	10.9
97.10136	3.6
99.04427	2.0
99.08068	9.6
101.22723	0.8
105.07010	19.2
107.07902	1.3
107.08575	19.4
109.06498	7.1
109.10138	26.1
111.04388	2.0
111.08089	5.3
112.84442	0.9
113.09625	5.9
114.80544	0.9
115.11169	0.9
115.90189	1.1
117.07020	2.4
119.08558	23.9
119.42748	0.8
121.02834	1.0
121.06467	2.0
121.10126	22.7
123.04391	2.5
123.08047	7.4
123.11678	18.9
125.09612	1.8
127.11182	2.3
129.06923	1.0
131.08571	1.6
133.10101	30.2
135.08057	2.1
135.11674	17.7
137.09607	5.9
137.13234	20.8
139.11160	1.8
143.08536	1.2
145.10095	1.6
147.04427	0.8
147.07976	0.8
147.11665	14.9
149.09552	1.5
149.13220	6.4
151.07491	1.2
151.11139	3.5
151.14796	8.1
153.12669	2.1
157.10114	2.4
159.10368	0.8
159.11652	2.7
161.09572	1.9
161.13239	14.2
163.11058	1.3
163.14777	1.2
165.09036	1.2
165.12708	2.1
167.14281	0.9
171.11700	0.9
173.13303	1.2
173.16141	0.8
175.11084	1.0
175.14806	11.6
179.10646	15.0
179.14238	1.1
184.68008	0.8
189.08885	1.2
189.12509	1.0
189.16371	4.5
191.17879	1.2
193.12245	1.3
199.14731	2.0
217.15874	4.4
217.19487	40.8
219.13651	1.0
220.12431	1.5
221.40593	0.9
235.05945	1.4
235.13342	7.1
235.16885	67.8
235.20541	67.6
236.17259	1.4
236.20935	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2053
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
51.19655	0.6
53.03947	1.8
55.01870	1.8
55.05504	15.2
56.47334	0.6
57.03417	2.6
57.07069	24.6
59.04997	1.5
65.03922	2.5
67.05496	86.3
68.05824	0.5
69.03424	3.3
69.07059	18.3
70.18407	1.0
70.18813	1.6
71.04983	7.0
71.08622	5.9
79.05016	0.6
79.05483	22.3
81.07046	100.0
82.07372	1.1
83.04968	3.7
83.08602	8.5
85.06535	12.4
85.10176	3.8
91.05469	27.5
93.07033	29.0
95.04962	7.6
95.08594	75.2
97.06526	11.2
97.10151	3.6
99.08077	10.7
105.07016	21.6
107.04942	0.5
107.08578	20.7
109.06506	4.4
109.10141	29.6
111.08073	8.2
111.11687	0.9
113.09631	7.9
116.85711	0.5
117.07002	1.0
119.04894	0.7
119.08569	22.7
121.06450	1.1
121.10132	25.0
123.04386	1.1
123.08059	6.1
123.11691	18.4
124.13640	0.6
125.09627	1.5
127.11167	2.4
131.08549	5.1
133.10117	27.7
133.11131	1.4
135.08057	1.2
135.11678	15.8
137.09613	6.7
137.13231	19.8
139.11160	7.0
143.08563	0.9
145.10130	2.9
147.07983	0.5
147.11665	20.8
149.02307	0.9
149.09592	11.1
149.13243	6.4
151.11148	2.9
151.14801	7.1
153.12708	1.9
157.10081	1.0
159.11681	3.2
161.09590	2.4
161.13240	12.0
162.03064	0.8
163.03850	0.7
163.14743	1.5
165.09062	0.6
165.12735	7.6
173.13214	0.8
175.11205	1.5
175.14809	6.9
177.12711	1.5
177.16325	0.8
179.10657	5.8
189.16359	5.2
191.14275	1.3
191.17906	1.4
192.04210	0.9
193.15744	1.3
199.14777	1.5
207.17429	0.6
217.16182	5.6
217.19492	35.9
218.19759	0.9
220.03615	1.0
224.56982	0.5
235.05952	5.7
235.16841	41.6
235.20496	56.6
236.17139	0.7
236.20775	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1689
Annotation	10-Hydroxy-3-longipinen-5-one
Peak:m/z	Relative Intensity
51.40716	1.3
54.75645	1.5
55.01860	2.3
55.05502	7.5
57.07066	8.7
57.76259	1.3
59.04980	2.5
67.05500	8.7
69.03413	2.9
69.07050	10.8
70.99415	1.9
70.99754	3.3
71.04974	3.3
79.05074	1.4
79.05472	7.4
81.07040	12.6
83.04977	1.5
83.08591	4.6
85.06544	3.4
90.58020	1.4
91.05476	15.0
93.07034	12.1
95.04933	8.5
95.08585	16.1
97.06487	4.7
100.21522	1.6
105.06328	1.9
105.07014	30.3
107.08565	30.4
109.06505	7.2
109.10133	12.8
111.08042	4.2
115.05455	2.8
117.06982	5.2
119.08566	100.0
120.08881	2.5
121.06468	4.0
121.10132	12.5
123.08013	3.5
123.11665	4.7
125.09555	1.8
128.06219	3.3
129.06990	3.4
131.08563	15.3
133.06488	2.5
133.10109	48.7
135.08015	20.5
135.11658	5.3
137.09575	6.9
138.91121	1.5
142.07774	4.3
143.08530	9.9
144.09312	2.9
145.10104	14.3
146.07182	1.6
147.08005	7.1
147.11646	19.1
149.09608	3.0
151.11110	8.5
156.09349	2.0
157.10092	13.3
158.10895	4.6
159.11655	14.9
160.08801	3.6
161.09608	33.9
161.13202	5.7
169.10014	1.8
171.11681	9.2
173.13239	22.1
175.11127	13.0
175.14795	18.0
177.12674	4.1
179.10670	13.4
184.12367	4.0
187.11115	2.9
187.14760	5.2
189.16333	17.3
193.15829	3.5
199.14769	10.3
202.13554	2.3
217.15846	97.9
218.16176	1.7
235.16878	72.4
240.65619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.3
55.05500	2.5
56.96562	2.0
57.06793	1.5
57.07071	44.3
60.04525	6.4
61.01146	64.3
67.05486	4.1
68.67428	1.0
68.99809	2.8
69.03413	1.2
69.07057	4.1
69.46486	2.8
69.46909	10.1
72.04511	23.5
72.08135	2.1
72.93764	2.0
78.03786	24.3
79.05486	3.4
79.84946	1.3
81.07056	7.2
84.08132	1.5
85.02882	1.2
86.02391	1.9
86.06060	9.8
86.09658	1.7
87.00819	36.7
90.05543	2.6
91.05460	4.1
93.07033	3.3
95.04963	1.9
95.08603	6.2
97.06528	2.2
98.21392	2.3
102.03118	1.8
102.03761	26.0
103.02161	50.0
103.31236	1.2
104.01687	3.9
105.00086	2.8
105.07016	7.0
107.04933	1.6
107.08564	2.5
109.06506	2.8
109.10144	2.4
111.04433	1.4
114.03777	13.6
114.05518	71.5
115.02117	1.1
115.05492	1.3
116.03435	1.9
119.08591	4.4
120.04798	66.5
121.06503	2.1
121.10121	2.4
123.04405	4.7
123.08031	1.4
128.01657	1.5
129.00061	12.5
129.07039	1.6
131.06384	10.5
132.04770	13.0
133.10112	2.8
135.08005	1.5
137.09650	1.5
140.03429	4.2
145.10112	1.8
146.02708	25.9
147.01093	35.0
147.04367	1.5
147.11647	2.3
149.07428	59.2
151.03932	1.7
151.07452	1.4
157.10107	1.2
159.11629	1.3
161.05972	1.7
161.09641	1.3
161.13191	1.3
162.05836	3.0
163.07544	2.6
164.03767	23.7
167.07042	1.3
173.07394	1.5
174.05846	8.4
175.05359	2.2
175.07515	1.9
175.11191	1.2
175.14847	2.2
179.10663	32.6
188.03735	1.9
189.05528	1.7
189.09146	1.4
189.12788	2.0
191.06802	2.6
191.08473	33.8
199.11427	1.5
200.03709	1.5
206.04793	4.1
207.06506	1.5
217.06531	10.3
217.08490	2.1
217.12433	1.1
217.15852	1.9
217.19490	2.1
218.04825	4.9
224.06445	1.2
235.07660	18.5
235.09636	1.4
235.16933	100.0
235.20308	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.6
53.03936	1.0
54.50843	0.6
55.01859	1.9
55.05492	2.5
57.07069	19.5
60.23312	0.5
63.27908	0.6
65.03932	3.5
66.04710	0.9
67.05502	3.9
68.99786	1.4
69.03425	1.0
69.07040	2.1
70.31081	2.5
71.04986	1.2
74.16721	0.5
78.04702	3.1
79.05484	5.4
81.03406	0.6
81.07051	6.0
83.04945	1.1
85.06538	0.6
89.03912	2.2
91.05471	10.3
93.03382	2.2
93.07036	6.1
95.04950	4.3
95.08611	5.3
97.06510	2.7
103.05466	2.8
105.03376	2.1
105.07005	5.0
106.04176	3.9
107.04947	2.6
107.08583	4.9
109.06495	2.5
109.10136	2.5
111.04404	1.3
111.08013	0.6
115.05421	1.1
117.03366	1.2
117.07001	1.3
118.04151	1.6
119.04914	1.9
119.08539	4.1
121.02847	8.9
121.06499	8.9
121.10088	3.2
123.04372	2.2
123.08057	1.1
123.11665	1.1
127.07574	0.7
128.06227	0.7
131.04939	0.6
131.08517	1.8
133.02831	3.9
133.06454	0.8
133.10135	3.3
134.03619	13.4
135.04387	0.9
135.08017	1.5
135.11684	1.4
137.05994	0.8
137.09569	1.6
139.03886	1.2
143.08548	1.0
145.02844	1.5
145.06467	0.7
145.10097	1.6
147.00706	4.2
147.04384	2.4
147.08035	1.2
147.11662	2.2
149.01396	0.6
149.02351	6.7
149.05971	8.4
149.09605	1.0
151.03827	0.7
157.10098	1.7
159.11662	1.2
161.02292	2.1
161.05983	0.9
161.09595	1.1
161.13176	1.6
162.03119	9.9
163.03925	3.5
163.07552	1.1
165.01872	0.8
165.09087	0.6
165.12726	0.7
171.11667	1.7
175.03894	1.3
175.07539	0.7
175.11125	1.7
175.14835	1.2
177.01848	13.3
177.05444	21.0
179.10641	13.1
189.12784	1.1
189.16267	1.4
190.02597	8.2
191.03357	3.8
191.07047	1.5
192.04155	53.8
193.04684	0.6
193.12222	0.6
199.11139	1.0
199.14764	0.6
203.03317	1.6
205.01309	10.8
205.04919	11.4
217.12248	3.0
217.15863	1.0
217.19577	1.9
219.02829	1.7
220.03648	100.0
221.04012	2.0
235.05988	82.3
235.13574	2.6
235.16905	47.7
235.20335	3.4
236.06334	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0597
Annotation	2-O,3-Dimethylflaviolin
Peak:m/z	Relative Intensity
55.05488	3.0
57.07066	27.7
59.04991	1.0
60.91247	1.0
63.02400	0.9
63.13992	0.9
65.03928	1.7
67.05493	5.6
69.03402	1.3
69.07057	3.1
71.03861	0.9
71.04979	1.1
79.05486	6.4
81.07048	7.5
83.04963	1.3
83.08575	1.6
85.37847	0.9
89.03892	1.2
91.05464	8.3
92.86854	0.9
93.07024	8.3
95.04934	4.1
95.08605	6.5
97.06512	2.7
99.07996	1.0
105.06985	6.0
106.04185	0.9
107.04942	2.1
107.08582	5.2
109.06525	1.8
109.10141	4.0
111.04439	1.3
115.05452	1.3
117.03370	2.0
117.07013	3.0
118.04124	3.1
119.04898	3.6
119.08556	7.0
121.02846	2.8
121.06539	1.7
121.10116	5.3
123.04401	2.4
123.08016	2.0
129.06955	1.1
131.08548	1.2
132.21234	0.9
133.06494	1.1
133.10094	4.2
134.03589	5.1
135.04399	1.9
135.08044	1.4
135.11700	1.4
139.03851	1.0
144.02045	1.1
145.02827	2.5
145.06445	3.0
145.10014	1.2
146.03580	1.5
147.04416	4.4
147.11661	2.2
149.02330	8.0
149.09622	1.2
151.07439	1.5
151.11159	1.5
159.11623	1.4
161.09566	1.1
161.13269	2.5
162.03098	12.7
163.03903	6.9
163.07614	1.0
164.04680	6.7
173.05942	2.4
175.03860	2.1
175.14842	2.8
177.01849	5.2
177.05620	1.2
177.09143	2.7
179.03397	1.1
179.07091	1.2
179.10651	19.2
189.12726	1.2
189.16263	1.1
190.02582	5.2
191.03447	4.7
192.04166	15.9
199.14850	1.5
202.02568	5.1
205.08539	1.6
207.02882	1.0
207.06500	1.9
217.15828	3.6
217.19510	2.2
219.02959	1.6
220.03661	28.7
220.12413	1.8
235.05988	100.0
235.09335	6.7
235.16911	76.0
235.20647	3.1
236.06282	2.1
255.84244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1485
Annotation	Crispine A
Peak:m/z	Relative Intensity
51.43585	0.3
54.19053	0.3
55.05489	0.5
56.96549	1.0
57.03414	0.5
57.07071	2.1
66.92376	0.3
67.05489	0.5
68.18739	0.3
69.07032	0.4
71.74123	0.5
79.05487	0.7
81.07043	0.9
84.08127	0.6
85.02895	0.4
91.05466	1.3
93.07047	0.6
95.04974	0.5
95.08589	0.5
96.04427	0.4
97.02902	0.4
97.06516	0.8
98.97565	1.0
103.94548	0.3
105.07026	1.4
107.08574	0.5
108.04461	0.3
109.06497	0.5
116.98598	1.1
117.07040	0.4
118.06525	4.8
119.08545	0.8
120.08072	1.2
121.10119	0.3
130.06512	0.6
131.08632	0.5
132.04460	0.7
132.08063	7.8
132.09045	0.4
133.05164	0.4
133.08859	6.2
133.09895	0.6
134.06033	0.5
134.09616	1.2
134.99608	0.7
136.06165	5.5
142.07420	0.3
144.08012	0.8
145.10127	0.4
146.05984	16.6
146.09549	0.5
146.99606	0.5
148.07532	0.5
157.08847	0.5
159.92073	0.4
160.07541	1.8
161.06046	0.4
161.08348	2.3
162.09116	3.3
162.12750	3.3
172.07576	0.6
172.11147	0.8
174.09157	1.0
176.07213	0.6
176.10678	8.7
177.00758	0.5
177.11455	11.2
178.05939	0.4
178.11810	0.3
179.10649	0.9
190.08600	23.9
190.12221	10.6
191.09058	0.4
204.10173	1.3
205.10934	1.5
206.15323	0.7
234.14883	100.0
235.13185	0.4
235.15086	1.0
235.16936	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
53.52939	1.5
55.01864	3.9
55.05504	13.6
56.96553	1.8
57.03434	3.7
57.07069	8.3
65.03927	3.0
67.05500	44.3
69.03394	2.1
69.07063	14.5
71.04987	7.8
71.48151	2.0
79.05486	68.8
80.05811	1.9
81.07051	50.9
83.04978	3.3
83.08611	7.7
85.06538	9.9
91.04919	2.1
91.05475	39.9
93.07036	78.5
95.04955	14.7
95.08599	32.1
97.06522	11.3
97.10133	2.4
99.08070	4.9
103.05409	1.6
105.07025	30.3
107.04932	6.4
107.08587	45.6
109.06522	7.8
109.10139	14.6
111.08081	8.9
113.09574	1.8
115.05504	1.5
117.07006	15.3
119.08574	27.7
121.06467	3.0
121.09254	2.4
121.10132	46.7
123.08111	3.7
123.11693	9.5
125.09612	3.4
129.06972	3.3
131.08551	34.8
133.06467	3.2
133.10123	29.9
135.08041	6.1
135.11685	50.5
137.09579	6.9
143.08585	3.2
144.09312	1.6
145.06448	2.7
145.10114	31.1
147.08076	2.3
147.11668	20.8
149.09621	9.7
149.13255	24.4
151.11157	4.5
157.10091	3.2
159.08028	3.4
159.11682	28.8
161.13240	7.7
163.07516	1.7
163.11150	4.6
163.14815	2.1
169.10184	1.8
171.11661	2.1
173.09613	3.0
173.13242	23.5
175.11115	3.9
177.05434	1.6
177.09111	2.8
177.12749	2.7
178.06140	1.8
187.14821	11.7
189.16327	4.8
191.03381	3.7
191.07069	1.8
191.14243	4.5
205.15784	2.9
205.19455	2.1
215.07068	2.4
215.10722	2.5
215.14357	4.8
215.17944	65.5
216.18164	2.3
233.04352	3.4
233.08025	3.2
233.11621	3.4
233.13275	1.9
233.15404	34.7
233.18974	100.0
234.19345	3.5
248.17816	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
53.69426	1.0
55.01846	2.6
55.05272	1.2
55.05504	13.5
56.96532	1.8
57.03409	3.7
57.07070	10.7
58.66509	1.1
65.03909	2.8
67.05498	42.9
69.03423	1.5
69.07061	11.9
70.95889	3.6
71.04979	7.0
71.08592	1.8
76.19001	1.1
77.03849	1.8
79.05482	75.4
81.03394	1.1
81.07045	47.7
83.04959	2.9
83.08622	8.3
85.06534	10.7
91.05467	41.5
93.07029	86.3
95.04945	10.6
95.08595	31.2
97.06512	10.9
97.10133	2.4
99.08081	6.3
104.19717	1.1
105.06326	1.9
105.07014	32.4
107.04972	5.9
107.08578	46.7
108.08900	1.9
109.06507	6.9
109.10142	15.3
111.04441	1.4
111.08083	9.0
111.14415	1.2
115.05366	1.8
117.07015	13.1
119.04913	1.2
119.08570	26.3
121.06470	3.4
121.10128	46.8
123.08047	5.0
123.11710	7.0
125.09574	3.1
129.06963	3.6
131.08549	39.0
131.09552	1.9
133.02756	1.2
133.06418	1.9
133.10115	25.1
135.08052	5.7
135.11674	58.3
137.09576	5.3
137.13214	2.7
139.11230	1.2
143.08508	1.8
145.10115	27.2
147.08061	2.1
147.11670	19.5
149.09659	8.5
149.13235	29.3
151.03233	5.3
151.11154	3.8
157.10094	3.8
159.08018	3.6
159.11674	25.5
161.09558	1.7
161.13223	5.0
163.07568	1.3
163.11168	2.6
165.12679	1.7
171.11609	2.9
173.13252	21.6
175.11166	2.3
175.14780	2.8
177.05518	7.5
177.09062	2.0
177.12766	2.4
178.06190	6.2
182.23247	1.2
187.11264	2.4
187.14789	11.0
189.16365	5.1
191.03325	3.7
191.06950	1.7
191.14291	8.4
197.13289	1.7
205.19565	3.3
215.10742	1.6
215.14345	5.8
215.17912	74.3
223.62802	1.3
233.04395	1.6
233.08031	3.7
233.11688	6.7
233.15408	30.0
233.18956	100.0
234.19467	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1897
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03929	3.5
55.01861	2.0
55.05508	16.2
57.03421	2.9
57.07068	8.5
64.83992	1.1
65.03926	2.1
67.05499	45.7
69.03403	1.5
69.07066	14.4
71.00138	2.9
71.04986	7.1
71.08622	1.1
73.99305	1.0
77.03885	2.3
79.05488	83.0
81.07052	46.4
81.07538	2.1
83.04962	3.2
83.08611	9.4
85.06536	10.0
91.05475	39.4
93.07036	87.1
94.07371	1.1
95.04958	9.6
95.08597	31.9
97.06509	8.5
97.10155	2.8
99.08071	6.0
103.05468	0.9
105.04478	1.3
105.07026	29.3
107.04942	8.4
107.08584	52.4
109.06492	4.0
109.10155	14.0
111.08070	9.1
113.09637	1.9
117.07007	13.0
119.08581	24.5
121.06433	1.3
121.10133	49.5
123.08073	4.4
123.11691	9.5
125.09611	3.5
129.07010	2.3
131.08557	37.9
132.08908	1.0
133.06535	1.0
133.10118	29.5
135.08041	3.8
135.11681	56.7
137.09634	4.7
137.13254	2.0
137.53268	1.0
143.08533	1.8
144.09279	1.8
145.10117	30.7
147.08043	1.5
147.11679	20.0
149.09616	7.7
149.13245	30.6
149.14436	1.8
151.11145	5.0
157.10159	1.6
159.07988	1.4
159.11697	22.8
161.13235	4.7
163.11134	3.5
163.14819	1.3
171.11705	1.8
173.13255	22.9
175.11203	1.9
175.14828	4.3
177.12709	1.2
187.14792	9.6
189.12781	1.2
189.16368	3.8
191.14313	10.6
203.08546	1.3
204.34973	0.9
205.15907	1.0
205.19490	3.6
215.17935	76.8
216.18251	1.6
218.10960	1.3
222.88857	1.0
233.04556	0.9
233.15451	27.1
233.18977	100.0
234.19380	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1897
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03925	4.1
55.01850	2.7
55.05508	15.5
57.03427	2.4
57.07066	10.1
57.65408	1.2
65.03920	2.1
67.05497	52.4
69.03419	1.6
69.07063	10.3
71.04992	5.7
71.33918	2.1
71.34238	1.7
76.97091	1.2
79.05481	76.4
81.07044	54.6
83.04957	2.3
83.08606	9.5
85.06525	11.1
86.06898	1.1
91.04911	2.2
91.05465	41.9
93.07033	94.2
95.04959	10.5
95.08595	34.7
97.06530	10.5
97.10144	3.3
99.08071	5.8
105.04449	1.9
105.06319	2.2
105.07011	35.7
107.04942	3.7
107.08576	50.3
109.06496	10.9
109.10136	14.5
111.08080	7.8
113.09591	1.6
115.05438	1.3
117.06992	14.4
119.08574	27.1
120.08933	1.4
121.06474	4.3
121.10130	42.9
123.08038	5.2
123.11687	8.7
125.09582	3.1
129.06934	1.8
130.07837	1.8
131.08548	33.7
133.09317	0.8
133.10106	28.6
135.08005	4.1
135.11676	58.2
137.09592	4.5
137.13220	2.7
139.11130	1.8
143.08554	2.3
145.06464	1.8
145.10106	30.6
147.10573	1.7
147.11667	19.3
149.09575	7.8
149.13231	28.8
151.11142	4.4
157.10039	1.5
159.08092	2.8
159.11670	26.8
161.13269	6.4
163.11093	3.5
164.57050	1.3
171.11713	1.5
173.09546	1.5
173.13235	21.6
175.14757	3.5
177.05473	1.3
177.09164	1.6
177.12665	1.8
187.14812	11.2
189.16347	3.5
191.14278	4.4
205.15771	1.5
205.19533	2.5
215.14459	3.0
215.17923	72.6
218.10831	1.7
233.04428	2.1
233.07930	1.9
233.11523	2.2
233.13342	2.1
233.15445	19.0
233.18965	100.0
234.19354	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96136	0.9
53.03930	3.7
55.01857	2.3
55.05507	12.3
55.62011	0.7
57.03415	3.4
57.07072	7.7
62.75491	0.7
63.57168	0.9
65.03913	1.2
66.76734	0.8
67.05497	34.2
69.03410	1.3
69.07059	13.3
70.14517	4.6
71.04622	1.2
71.04985	6.1
71.08602	1.7
77.03894	1.1
79.05483	66.1
81.07045	46.8
83.04964	2.5
83.08606	8.8
85.06535	8.4
85.66121	1.1
91.04915	1.8
91.05469	33.1
93.07034	79.9
95.04954	6.4
95.07998	1.4
95.08596	27.5
96.21957	0.8
97.06518	7.2
97.10144	2.9
99.08086	6.0
105.07017	27.9
107.04950	1.1
107.08582	40.7
109.06486	3.9
109.10139	12.4
111.08069	7.4
113.09637	2.2
115.05452	1.0
117.07009	10.8
119.08565	20.9
121.06503	1.3
121.10129	42.4
123.08031	2.9
123.11687	8.5
125.09575	2.5
129.06944	1.9
130.07748	2.0
131.08549	29.9
133.06514	0.9
133.10114	23.9
135.08002	4.8
135.11679	50.7
137.09583	4.7
137.13208	2.5
139.11223	1.5
143.08510	0.9
145.10104	28.9
146.10797	1.1
147.11671	17.8
149.09630	6.7
149.13237	25.5
151.11118	4.6
157.10101	1.6
159.11676	23.3
161.13283	4.5
163.11154	2.4
163.14835	1.2
171.11722	1.9
173.13257	20.3
175.11092	1.5
175.14786	3.0
177.08995	1.1
177.12704	1.0
187.14789	8.5
189.16350	5.3
191.14249	2.0
201.16377	2.5
205.19498	2.9
215.17926	67.8
233.15596	10.0
233.18974	100.0
234.16118	1.5
234.19250	1.3
238.83566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1896
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
50.11142	0.5
53.03925	2.2
53.08418	0.6
55.01851	1.2
55.05265	0.9
55.05506	14.2
57.03415	2.6
57.07071	8.4
57.18980	0.6
65.03925	1.6
67.05498	41.8
69.07055	11.5
70.31003	2.6
71.04984	6.5
71.08617	1.1
77.03894	1.1
78.04676	0.7
79.05483	65.6
81.07046	43.0
81.07536	1.5
81.48074	0.6
83.04971	1.5
83.08611	7.4
85.06081	0.9
85.06541	10.5
91.05467	37.9
92.05785	0.7
93.07031	78.8
94.07352	0.8
95.04954	7.8
95.08596	29.5
96.74975	0.6
97.06508	9.5
97.10134	1.5
99.08083	5.9
105.07021	26.3
107.04942	1.4
107.08579	45.9
109.06504	4.2
109.10137	12.3
111.08076	6.2
112.92503	0.6
113.09623	2.0
115.05392	1.0
117.06996	10.6
119.08571	20.3
121.06460	1.2
121.10131	42.6
123.08046	3.4
123.11684	9.5
125.09582	2.9
129.06970	1.6
130.07771	1.1
131.08553	30.0
133.10106	23.7
135.08081	4.0
135.11676	55.7
137.09604	4.8
137.13248	2.5
139.11133	1.2
144.09314	1.1
145.10107	27.1
147.11673	16.9
147.12845	1.0
149.09586	6.1
149.13237	25.5
151.11147	4.9
157.10118	0.8
158.10988	0.7
159.11671	22.6
161.13242	4.8
163.11168	3.5
165.12769	0.9
171.11597	1.6
173.13252	20.4
175.14804	3.0
177.12688	1.6
187.14812	8.7
189.16348	4.9
191.14322	1.1
205.19542	3.4
215.17928	72.5
216.18311	1.8
233.15250	2.4
233.18977	100.0
234.19310	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1533
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
51.02367	1.3
51.27144	0.9
53.03937	2.2
55.01868	1.0
55.05509	6.0
56.96548	1.3
57.07074	4.6
59.04962	2.2
61.87700	0.8
65.03927	1.8
66.31131	0.8
67.05502	9.7
69.03423	18.3
69.07047	4.1
70.52679	3.1
70.53020	0.9
71.01329	1.6
71.04990	4.3
77.03918	1.6
79.05486	36.0
81.03392	1.4
81.07049	11.8
81.32194	0.9
83.04952	2.2
83.08638	4.6
85.06545	5.1
89.03904	1.2
91.05473	23.1
93.07034	13.9
95.04954	28.2
95.08596	8.4
97.06523	5.3
103.05438	2.4
105.03372	1.0
105.06320	1.7
105.07015	25.4
107.04218	1.9
107.04939	28.9
107.08581	18.9
109.02857	1.2
109.06505	7.8
109.10152	6.3
111.04398	2.2
111.08075	3.6
113.05974	3.9
115.05426	2.6
117.06998	9.3
119.08567	100.0
120.08875	0.8
121.06483	6.6
121.10140	15.9
123.08046	5.0
123.11665	4.5
125.09596	1.6
128.06227	2.5
129.06975	4.2
130.07748	3.7
131.04921	1.5
131.08546	19.4
133.02895	1.8
133.06467	6.9
133.10109	13.6
135.08052	5.6
135.11652	2.8
137.05959	3.1
137.09598	8.2
141.06937	2.1
142.07748	3.7
143.08568	6.9
144.09308	2.1
145.06451	3.3
145.10107	30.5
147.08031	27.8
147.11659	13.0
149.09612	14.3
149.13199	3.4
151.03947	1.4
151.07516	1.4
151.11160	1.7
153.09061	1.4
155.08545	3.5
156.09302	3.6
157.10118	9.5
158.10875	3.7
159.08026	7.4
159.11665	6.0
160.08812	1.4
161.02428	1.1
161.05951	1.3
161.09650	1.9
161.13206	3.3
163.11186	4.3
163.14792	2.5
167.08525	3.4
169.10109	2.6
169.49728	0.8
171.11699	6.8
173.06039	1.0
173.09596	7.8
173.13229	15.4
175.11151	13.4
177.05463	1.0
177.09097	3.6
179.03404	2.2
182.10956	5.8
185.05856	1.0
185.09619	1.6
187.11159	2.5
187.14807	12.1
189.12755	8.9
191.03378	26.4
191.10629	1.3
191.14293	36.8
192.03709	1.3
197.13240	10.0
200.11952	1.6
205.15849	2.6
215.07022	1.3
215.14285	17.5
233.04559	1.0
233.08124	8.9
233.15337	87.8
233.23012	7.8
234.15675	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1533
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.03934	1.8
55.05500	6.8
57.07061	1.4
62.08431	0.9
65.03918	1.3
67.05499	11.6
69.03413	1.4
69.07056	5.1
70.08303	0.9
71.64891	0.9
79.05065	1.6
79.05481	15.0
81.07046	25.6
81.07523	1.5
83.04952	1.4
83.08593	3.1
83.67838	1.0
85.06537	0.9
91.05467	19.7
93.07032	26.2
95.04939	4.6
95.08598	23.0
98.21384	2.2
103.05450	1.9
105.07020	40.6
107.04951	8.5
107.08585	22.1
109.06467	2.4
109.10132	8.4
111.08060	2.1
115.05418	2.0
116.06181	1.3
117.07005	11.5
119.04936	1.2
119.08571	23.2
119.83308	1.0
121.06480	3.3
121.10124	9.9
123.08070	2.3
123.11703	1.1
125.05984	2.6
128.06219	1.2
129.06978	2.4
130.07765	2.4
131.08553	42.7
133.06471	1.8
133.10101	10.9
135.04482	1.1
135.08040	2.3
135.11694	3.3
137.05994	2.5
139.07524	4.8
143.08510	3.3
144.09351	1.1
145.06445	1.3
145.10112	44.2
147.08043	2.4
147.11650	7.9
149.05983	1.8
149.09586	3.9
149.13202	1.7
151.07544	2.9
155.08513	3.7
157.10107	2.3
159.08107	4.6
159.11676	20.6
161.13231	13.6
163.07500	4.0
165.09058	1.3
167.08527	1.2
169.10121	2.6
171.11758	2.2
173.09651	4.9
173.13200	3.5
175.11185	1.5
177.05519	1.7
177.09102	12.5
178.06206	1.3
182.10966	1.3
185.08063	1.0
185.13260	1.8
186.10225	1.0
187.11194	2.8
187.14801	100.0
188.15068	2.0
189.16374	1.8
191.07120	1.4
191.10612	2.4
191.14297	5.9
197.13240	7.7
205.15869	4.3
215.14287	27.9
215.17899	2.9
218.10915	1.2
229.39510	1.1
233.07988	1.3
233.11633	2.0
233.15338	59.8
233.18723	5.6
234.15736	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1533
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03938	2.8
55.01866	0.9
55.05502	4.8
57.07068	1.8
65.03958	0.5
67.05486	3.8
69.03418	5.6
69.07048	2.5
70.71108	1.6
71.04976	0.8
79.05481	57.5
81.07046	4.1
83.04960	1.3
83.08611	6.2
85.06538	1.0
91.05460	4.7
93.07034	9.3
95.04955	5.6
95.08597	2.8
96.22413	0.4
97.06516	1.8
99.08069	0.5
105.04494	0.9
105.07014	8.9
107.04938	59.1
107.08572	10.5
107.70921	0.5
109.06499	1.4
109.10162	1.4
111.04431	0.7
111.08055	5.0
116.06255	0.5
117.06995	1.6
119.08553	6.5
121.06429	2.3
121.10119	9.1
121.10954	0.5
123.08054	1.6
123.11686	0.9
125.09593	2.4
129.06976	1.0
131.08548	7.8
133.10100	7.8
135.08060	2.2
135.11694	2.9
135.67331	0.4
136.77113	0.4
137.09573	0.7
137.19684	0.4
142.07689	1.0
143.08540	0.9
145.10104	4.2
147.11665	9.1
149.09602	8.6
149.13246	4.4
157.10117	3.1
158.10890	1.5
159.08055	0.8
159.11691	1.5
160.05153	0.6
160.08821	1.5
161.05859	0.6
161.13211	0.5
163.07561	0.7
163.11185	0.5
166.10312	0.5
171.11667	0.7
172.12399	0.5
173.09529	0.8
173.13239	6.4
175.11162	10.6
177.09088	0.8
182.10905	0.9
187.14803	1.0
189.12682	0.9
191.03429	0.6
191.14282	71.0
192.14624	1.1
197.13248	1.3
215.14334	2.1
215.17908	2.6
219.50487	0.5
233.11591	3.0
233.15331	100.0
233.18669	5.9
234.15721	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1533
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.02374	0.7
53.03926	2.3
55.05508	3.6
56.60534	0.5
57.07048	2.1
64.38203	0.6
66.27024	0.6
67.05492	3.0
68.53048	0.6
69.03425	5.9
69.07050	1.6
69.91660	1.9
69.92071	1.6
71.05000	1.2
72.46849	0.5
74.48289	0.6
75.11563	0.5
77.03885	1.0
79.05484	52.8
81.03379	0.7
81.07050	4.1
83.04953	1.7
83.08620	5.5
85.02913	1.2
85.06520	2.2
91.05469	5.3
93.07032	6.6
95.04951	6.7
95.08582	3.4
97.06491	1.2
103.33929	0.6
105.04468	0.9
105.07018	10.7
107.04944	53.0
107.08584	9.1
109.06480	2.4
109.10157	0.7
111.08064	5.1
113.05969	1.2
115.05424	0.7
117.06991	2.6
119.07729	0.8
119.08576	13.1
121.06480	2.7
121.10130	7.0
123.08025	2.5
125.09652	3.2
129.06993	2.0
130.07773	0.7
131.08557	11.1
133.06505	1.4
133.10115	7.8
135.08017	2.8
135.11676	1.0
137.09578	3.5
141.06976	1.0
142.07777	1.6
142.54286	0.6
143.08527	2.0
145.10120	11.3
146.10736	0.8
147.08032	11.6
147.10568	1.0
147.11670	13.3
149.09598	8.8
149.13211	3.5
153.09120	1.0
155.08466	0.8
156.09344	1.4
157.10092	5.9
158.10893	1.8
159.08040	1.5
159.11674	1.7
160.08772	2.1
161.05977	1.2
161.09666	0.8
163.07530	0.7
163.11208	3.0
169.10025	0.6
171.11670	2.1
172.12462	0.8
173.09605	1.7
173.13223	9.4
175.11176	18.5
177.09047	0.8
182.10896	1.6
187.14734	2.7
189.09004	1.0
189.12726	4.9
191.03384	1.7
191.14287	61.0
192.14632	0.8
197.13257	2.3
215.06973	1.1
215.14282	4.6
231.96547	0.7
233.15337	100.0
234.15703	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	Oculatol
Peak:m/z	Relative Intensity
55.01860	0.7
55.05490	1.2
57.07061	1.7
59.04980	1.0
67.05496	4.9
69.03143	0.4
69.03427	5.1
69.07055	1.5
69.86530	3.2
71.04960	1.0
79.05496	4.4
81.07050	4.1
81.38927	0.5
82.87214	0.5
83.04964	1.4
85.06512	1.7
89.07021	0.5
91.05461	7.0
93.06580	0.5
93.07049	5.0
95.04949	6.0
95.08604	2.4
97.06512	1.6
99.04423	0.8
105.07021	6.9
107.04955	3.2
107.08583	5.7
109.06518	3.7
109.10155	1.3
115.05420	1.7
116.06224	0.9
117.06981	3.7
119.04859	0.9
119.08558	9.8
121.06499	9.4
121.10111	3.7
121.37086	0.6
123.04389	0.9
123.08023	1.7
125.80223	0.5
128.06194	0.7
129.06979	1.6
130.07771	1.2
131.04895	1.2
131.08548	12.1
133.02798	0.6
133.06476	1.5
133.10118	3.8
135.08034	2.0
137.05977	1.0
137.09602	1.1
141.06947	1.3
142.07729	1.4
143.08553	2.9
144.09319	0.8
145.06485	0.9
145.10106	12.4
146.10866	0.5
147.07985	2.0
147.11696	2.6
149.09598	9.1
149.13251	0.6
153.07008	0.8
155.08582	3.0
156.09322	1.5
157.10112	4.3
158.07274	1.2
158.10854	1.9
159.04398	0.6
159.08035	11.4
159.11646	3.9
160.05186	3.5
161.05960	5.7
161.09532	0.8
161.13217	1.0
167.08501	2.5
169.06467	0.9
169.10101	2.3
171.07933	0.5
171.11653	3.0
172.12395	1.2
173.09627	4.7
173.13237	6.7
175.11113	2.5
177.09103	1.8
182.10901	5.7
183.52655	0.5
185.09613	1.4
186.10474	0.5
187.07544	0.9
187.11151	1.6
187.14803	5.9
189.09109	3.3
189.12726	3.4
191.03375	5.6
191.10785	0.8
191.14189	2.5
197.05962	0.7
197.13232	11.3
200.11906	2.0
215.07024	3.3
215.14287	27.6
216.14484	0.5
233.08133	2.7
233.15332	100.0
234.15656	1.7
239.68570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1533
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
51.07471	0.6
53.03929	0.7
55.01866	1.5
55.05484	2.8
56.81208	0.6
56.96563	0.9
57.07056	1.9
59.04982	0.8
67.05493	4.8
69.03436	3.5
69.07043	3.0
69.74492	2.8
69.74923	1.6
70.06567	1.2
71.04964	2.0
79.05483	5.0
81.07048	4.9
83.04961	1.4
85.06504	1.6
89.03930	0.9
91.05471	9.0
93.07030	6.0
95.04957	5.9
95.08607	4.5
97.06506	3.6
98.21473	0.6
103.05458	1.1
105.07024	9.1
107.04938	5.0
107.08584	6.8
107.89272	0.6
109.06509	3.6
109.07121	0.6
109.10132	2.6
111.04469	0.7
112.94115	0.6
115.05406	2.7
116.06185	0.8
117.06986	3.2
118.08633	0.7
119.08560	10.1
121.06497	8.5
121.10058	3.8
123.04404	1.1
123.08047	1.6
128.06215	1.7
129.06990	1.9
130.07787	1.0
131.04901	2.3
131.08539	12.4
133.02824	2.3
133.06462	1.7
133.10092	4.0
135.08054	3.0
135.11668	1.3
137.05937	2.1
137.09579	0.8
141.06944	2.5
142.07736	0.7
143.08530	2.5
145.06454	1.8
145.10106	10.7
147.04404	1.0
147.08026	1.5
147.11649	2.4
149.05968	1.2
149.09604	5.5
149.13248	0.6
155.08484	2.3
156.09293	2.2
157.10130	4.7
158.10884	1.6
159.04385	2.6
159.08043	10.7
159.11649	5.0
160.05180	1.5
161.05888	2.4
161.09607	1.3
161.13240	1.2
167.08542	2.2
169.06406	0.9
169.10143	2.1
171.08035	0.7
171.11646	2.8
172.12445	0.8
173.09599	4.0
173.13258	6.3
174.10474	0.8
175.11188	2.6
177.05418	2.2
177.09070	2.7
179.03348	2.3
182.10895	6.1
185.05939	0.6
185.09685	0.8
187.03963	1.1
187.07532	2.1
187.11156	2.2
187.14784	5.9
189.09097	1.7
189.12720	2.8
191.03372	25.4
191.14264	3.1
192.03830	0.8
197.05922	1.1
197.13222	11.3
200.11926	1.7
204.04091	1.2
205.04933	0.8
205.08516	0.8
215.07031	4.2
215.10847	1.4
215.14285	27.5
233.04379	1.2
233.08018	10.6
233.12016	3.7
233.15334	100.0
233.19167	4.0
233.22182	3.5
234.15625	1.9
234.20567	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0803
Annotation	Salfredin B11
Peak:m/z	Relative Intensity
51.36051	0.4
53.03927	0.9
55.01863	0.7
55.05507	2.6
57.03420	1.1
57.07052	0.7
63.67807	0.3
65.03915	1.1
67.05491	1.7
68.99777	0.7
69.03425	0.8
69.07056	1.0
71.04979	0.8
71.08610	0.4
74.06062	0.9
77.03885	0.6
79.05481	3.0
81.03403	0.6
81.07034	1.8
88.07605	2.2
89.03899	3.0
89.07964	0.6
91.05466	6.6
93.07034	1.7
95.04960	2.5
95.08576	1.3
97.06497	1.2
103.05418	1.9
105.03378	2.1
105.07010	2.7
107.04935	6.7
107.08585	1.2
109.02840	0.5
109.06494	0.6
109.10160	0.5
115.05414	2.7
116.06231	0.7
117.03311	1.6
117.06982	1.8
119.04922	1.0
119.08566	3.0
121.06493	1.0
121.10116	0.9
123.04419	0.9
128.06210	1.1
129.03340	0.7
129.06966	1.3
131.04913	2.3
131.08546	3.3
133.02815	7.1
133.06461	1.1
133.10085	0.5
134.03618	0.5
135.04401	0.9
135.08008	0.5
135.11655	0.5
137.05908	0.7
141.06985	1.6
143.04893	1.0
143.08562	0.6
144.05684	0.8
145.01831	0.3
145.02776	2.2
145.06459	1.7
145.10097	1.9
147.04393	0.7
147.08044	0.9
147.11673	0.6
149.05946	0.6
149.09558	0.8
151.03882	2.9
157.06445	1.5
158.03578	0.4
158.40860	0.3
159.04395	3.4
159.07965	2.2
159.11688	1.7
160.05206	1.6
161.02332	3.0
161.05913	1.6
161.09535	0.4
162.03008	0.3
163.03871	0.9
163.11076	0.5
168.04167	0.4
169.06451	1.3
171.04370	0.8
171.11646	0.5
173.02382	0.4
173.05960	0.9
173.09608	0.7
173.13193	1.5
174.06691	0.4
175.07495	2.9
175.11142	0.8
177.05449	5.6
177.09140	0.4
179.03355	7.0
179.76547	0.3
185.05934	3.1
187.03862	0.5
187.07535	2.4
187.11185	0.7
187.14771	1.1
187.18857	1.0
189.09087	1.6
191.03360	100.0
192.03751	1.9
197.05930	1.3
200.04628	1.3
203.03333	0.5
203.06972	3.8
204.04128	3.3
205.04893	1.4
215.06982	3.7
215.10527	0.8
215.14229	1.2
215.17880	0.6
233.08049	27.8
233.11398	1.9
233.15335	5.4
233.19264	4.2
233.21910	0.6
248.10332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0803
Annotation	Salfredin B11
Peak:m/z	Relative Intensity
51.02364	0.4
53.03927	1.0
55.01854	0.7
55.05497	2.0
56.96541	0.3
57.03413	1.2
57.07051	0.6
65.03909	0.6
67.05496	1.4
68.99769	0.7
69.07037	0.9
71.04970	1.1
71.74099	0.3
74.06053	0.7
77.03903	0.7
79.05485	3.3
81.03383	0.3
81.07050	1.5
83.04956	0.3
85.02898	0.3
88.07612	1.3
89.03900	2.7
89.07922	0.8
91.05462	6.9
93.07050	2.0
93.07541	0.4
95.04951	2.4
95.08569	1.0
97.06498	1.0
103.05437	1.4
105.03362	1.9
105.07032	2.1
107.04937	6.6
107.08579	1.2
109.02835	0.4
109.06502	0.4
109.10147	0.4
111.04393	0.3
111.08027	0.3
115.05454	2.1
116.06146	0.4
117.03368	1.8
117.06990	1.7
118.04128	0.3
119.04941	1.3
119.08561	2.7
121.06479	1.1
121.10105	1.0
123.04411	1.0
123.08051	0.3
128.06207	1.0
129.03343	0.5
129.07010	1.8
130.07761	0.3
131.04948	2.0
131.08557	2.4
133.01878	0.5
133.02832	6.6
133.06461	0.8
133.10107	1.0
134.03606	0.5
134.10915	0.4
135.04399	1.0
135.08032	0.4
137.05939	0.9
141.06970	1.4
143.04875	0.8
143.08548	0.8
144.05687	0.9
145.02840	2.4
145.06427	1.3
145.10112	2.1
147.04381	1.2
147.08028	1.0
147.11658	0.7
149.05960	0.7
149.09567	0.8
151.03893	3.0
155.06030	0.4
157.06421	1.3
157.10072	0.4
158.03586	0.4
159.04393	2.9
159.07999	2.0
159.11655	0.7
160.05171	1.5
161.02350	3.1
161.06003	1.4
163.03879	0.8
163.07451	0.5
163.11137	0.6
169.06445	1.1
169.10207	0.3
171.04405	0.8
172.05145	0.4
173.02370	0.3
173.05913	0.9
173.09596	0.9
173.13263	1.5
175.07530	1.7
175.11133	0.6
177.05447	6.4
179.03369	6.9
185.05914	2.6
187.03973	0.6
187.07553	2.7
187.11147	0.8
187.14815	1.0
187.18842	1.2
189.09055	1.3
189.16278	0.3
191.03365	100.0
192.03835	1.3
197.05890	1.3
197.13214	0.4
200.04550	0.6
202.06305	0.5
203.03310	0.3
203.07040	2.9
204.04167	3.1
204.43561	0.3
205.04941	1.9
205.08546	0.6
215.07004	3.9
215.10631	0.6
215.14262	1.1
215.18083	0.5
216.07285	0.3
233.08058	27.2
233.11462	2.4
233.15315	4.8
233.19283	3.0
234.08415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.05514	8.2
57.07069	6.8
63.26698	0.6
65.03928	1.4
67.05132	1.1
67.05497	20.8
68.64721	0.5
69.07065	6.9
71.08619	2.5
77.03889	0.7
79.05484	16.2
80.44382	0.6
81.03394	0.6
81.06596	1.1
81.07049	13.7
83.08607	3.5
85.10162	1.1
91.05472	100.0
92.05832	0.6
93.07034	11.9
95.04968	1.7
95.08596	9.9
97.10164	0.8
98.20702	1.1
103.05466	2.5
105.07021	44.0
107.08578	4.8
109.10134	3.3
117.07015	6.2
117.57690	0.5
119.08569	65.5
120.08915	1.2
121.10132	3.7
123.11671	1.2
128.14235	0.6
129.06993	1.0
131.08560	3.4
133.10120	26.2
133.11140	1.2
135.11682	1.6
137.13272	1.3
142.07768	0.6
143.08574	3.9
145.10109	2.6
147.11673	9.5
149.13255	3.0
151.14722	0.6
156.09273	0.7
157.10078	1.9
159.11691	1.8
161.13251	5.3
163.14783	0.6
170.10948	0.6
175.07571	1.0
175.14832	3.3
185.13275	4.2
189.09062	0.8
189.16338	1.6
203.14261	0.7
203.17894	1.3
213.12706	1.3
231.13698	3.3
231.17378	0.9
231.21066	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.4
54.37707	0.7
55.01860	1.5
55.05505	2.5
57.03423	3.8
59.66578	0.7
61.02900	1.0
65.88522	0.8
67.05502	1.9
68.99781	2.6
69.03420	100.0
69.07107	0.7
69.62999	3.5
69.63423	2.7
71.01372	0.9
71.04986	13.6
73.02938	0.8
79.05498	2.1
81.03407	45.4
81.07041	3.3
83.01356	1.1
85.02373	1.8
85.02894	36.8
87.00817	17.2
87.04467	0.8
87.86430	0.7
91.05452	4.3
93.07024	2.5
95.08587	2.4
97.02879	15.5
98.21383	1.3
99.04442	28.9
105.01865	2.8
105.07014	5.3
107.08524	1.8
109.02865	17.2
113.07154	0.8
117.07008	2.5
119.08582	3.3
121.10145	0.8
127.03899	30.8
128.06213	2.8
129.07028	4.0
131.08553	4.0
133.06516	0.7
133.10120	1.9
141.07016	1.1
142.07793	3.4
143.08557	7.9
145.04961	2.1
145.10098	4.1
147.04396	1.9
147.08035	1.1
155.08600	1.1
156.09389	0.8
157.06552	1.6
157.10136	6.3
159.11729	2.8
161.06058	0.9
161.09639	1.3
163.07738	0.9
171.08061	1.5
171.11653	1.5
175.03923	1.7
175.07588	2.8
185.09660	1.2
185.13249	11.6
188.08334	0.9
189.09122	2.5
194.63783	0.7
195.11736	1.0
203.10728	1.3
203.14377	1.5
209.96629	0.9
213.03865	4.5
213.09125	0.8
213.12767	3.7
231.02866	4.9
231.04991	4.6
231.06657	2.8
231.10188	2.5
231.13770	9.9
231.17404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1741
Annotation	(1S)-7-Methoxy-1,2-dihydrocadalene
Peak:m/z	Relative Intensity
52.69101	1.8
53.03928	3.1
55.01859	5.4
55.05508	12.1
57.03399	2.1
57.07049	5.2
58.06580	2.9
62.72898	1.6
67.05497	21.1
69.03405	9.4
69.07063	36.2
69.69469	3.0
69.69872	10.3
71.04967	5.4
71.08640	2.1
79.05492	21.9
81.03400	4.9
81.07041	32.3
83.04951	6.5
83.08602	10.2
85.06517	4.3
91.04923	2.3
91.05468	46.3
93.07032	43.8
94.50810	2.0
95.04958	19.7
95.08591	36.7
97.06532	3.1
103.05447	4.8
105.07018	66.8
107.04918	3.8
107.07900	2.7
107.08579	34.8
109.06504	14.4
109.10139	25.2
111.08017	2.6
115.05420	3.9
116.06216	2.8
117.06392	1.7
117.07008	18.9
119.08567	49.2
121.00516	1.8
121.06498	9.4
121.09258	2.2
121.10127	33.8
123.08030	7.4
123.11674	12.1
128.06195	12.4
128.98582	1.8
129.06996	23.3
130.07753	5.3
131.08548	38.5
133.06467	6.1
133.09171	3.4
133.10106	40.8
135.08040	56.1
135.11627	11.2
137.09633	3.3
141.06921	5.8
142.07765	17.3
143.08546	47.1
144.09245	4.6
145.06459	3.1
145.10104	49.4
146.10806	2.4
147.08044	15.5
147.11665	23.9
149.09586	14.6
149.13205	4.9
149.21051	1.5
154.87729	1.8
155.08487	6.2
156.09364	10.3
157.06468	3.7
157.10115	52.2
158.10904	11.5
159.08025	2.1
159.11670	24.6
160.08813	2.3
161.05978	2.4
161.09599	36.6
161.13255	10.0
163.11116	5.4
169.10103	3.2
170.10889	5.4
171.07979	5.2
171.11674	29.3
173.09592	4.4
173.11827	3.4
173.13246	44.1
175.07552	5.0
175.11163	34.7
175.14793	5.4
183.11670	4.9
183.54630	2.0
185.09572	2.9
185.13243	45.3
186.13495	2.3
187.14841	10.2
189.09088	4.2
189.12674	6.3
189.16333	2.2
195.11650	4.1
198.14040	7.2
203.10748	2.1
203.14328	3.3
203.17952	5.8
213.12877	12.3
213.16354	34.1
227.54774	1.8
231.06458	7.1
231.10132	6.2
231.13870	35.9
231.17392	100.0
231.25070	10.8
232.17348	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83840	0.6
52.33524	0.7
55.01866	1.4
55.05493	1.5
56.05017	0.6
56.96558	4.3
57.03416	1.0
57.50366	0.6
58.99835	1.0
62.40100	0.6
66.16402	0.6
67.05490	1.6
68.98282	0.7
69.07043	1.4
70.06570	2.2
70.58738	1.4
70.59097	1.7
70.99835	0.7
72.08146	1.5
73.01446	0.9
73.06544	1.3
74.22683	0.7
77.00905	1.2
79.05484	0.8
81.07063	4.2
82.99881	2.1
84.04491	1.0
84.08132	5.4
85.01376	1.7
85.02905	0.8
86.09689	2.0
86.99304	1.7
91.02456	1.4
91.05468	2.1
93.07013	2.5
95.08591	1.4
97.02882	0.9
98.97574	2.3
101.00867	12.7
103.02442	19.6
105.00376	3.4
105.07034	5.1
107.08572	1.7
109.03477	0.8
109.06560	0.7
115.05421	0.8
116.00156	0.7
116.98596	2.1
117.03998	6.0
117.07005	2.0
119.01914	86.0
119.08556	3.4
120.01991	1.2
121.01659	1.0
121.03477	14.1
121.06447	0.8
122.03539	0.7
127.02428	1.0
128.06207	2.2
129.00342	2.0
129.07011	3.4
129.10216	3.4
131.00229	1.0
131.01901	5.2
131.08548	4.4
133.03459	5.3
133.10133	1.3
134.99689	3.3
135.05058	7.4
136.06139	1.7
137.02948	37.4
142.03503	2.5
142.07732	1.3
143.01865	1.2
143.08554	7.0
144.09283	0.8
145.03456	39.4
145.10098	4.3
147.01384	22.3
147.08060	1.0
149.02983	3.6
151.04494	2.5
153.06924	0.8
155.01883	1.1
155.08559	1.1
156.09338	0.9
157.03499	0.9
157.06403	1.3
157.10176	4.1
159.11661	4.1
161.02959	17.7
161.09579	1.0
163.04512	27.5
165.02449	10.5
168.05043	2.4
170.10880	0.9
171.01358	16.8
171.07965	1.3
171.11638	1.0
173.02931	2.8
173.09644	1.3
175.07507	2.2
179.04005	5.3
183.03514	2.9
185.02866	3.3
185.13271	10.8
186.06094	0.9
187.04456	4.0
188.04100	0.7
189.02428	100.0
190.02579	1.9
191.04048	1.5
195.11623	1.0
203.03972	2.0
203.07504	0.7
203.14281	1.3
204.05444	1.1
205.05597	0.8
207.03474	23.9
208.04533	2.2
212.04083	7.4
213.12721	2.4
221.04985	0.9
230.05118	0.9
231.03482	26.6
231.06281	1.3
231.06694	1.3
231.13783	10.0
233.01074	0.9
249.04565	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83840	0.6
52.33524	0.7
55.01866	1.4
55.05493	1.5
56.05017	0.6
56.96558	4.3
57.03416	1.0
57.50366	0.6
58.99835	1.0
62.40100	0.6
66.16402	0.6
67.05490	1.6
68.98282	0.7
69.07043	1.4
70.06570	2.2
70.58738	1.4
70.59097	1.7
70.99835	0.7
72.08146	1.5
73.01446	0.9
73.06544	1.3
74.22683	0.7
77.00905	1.2
79.05484	0.8
81.07063	4.2
82.99881	2.1
84.04491	1.0
84.08132	5.4
85.01376	1.7
85.02905	0.8
86.09689	2.0
86.99304	1.7
91.02456	1.4
91.05468	2.1
93.07013	2.5
95.08591	1.4
97.02882	0.9
98.97574	2.3
101.00867	12.7
103.02442	19.6
105.00376	3.4
105.07034	5.1
107.08572	1.7
109.03477	0.8
109.06560	0.7
115.05421	0.8
116.00156	0.7
116.98596	2.1
117.03998	6.0
117.07005	2.0
119.01914	86.0
119.08556	3.4
120.01991	1.2
121.01659	1.0
121.03477	14.1
121.06447	0.8
122.03539	0.7
127.02428	1.0
128.06207	2.2
129.00342	2.0
129.07011	3.4
129.10216	3.4
131.00229	1.0
131.01901	5.2
131.08548	4.4
133.03459	5.3
133.10133	1.3
134.99689	3.3
135.05058	7.4
136.06139	1.7
137.02948	37.4
142.03503	2.5
142.07732	1.3
143.01865	1.2
143.08554	7.0
144.09283	0.8
145.03456	39.4
145.10098	4.3
147.01384	22.3
147.08060	1.0
149.02983	3.6
151.04494	2.5
153.06924	0.8
155.01883	1.1
155.08559	1.1
156.09338	0.9
157.03499	0.9
157.06403	1.3
157.10176	4.1
159.11661	4.1
161.02959	17.7
161.09579	1.0
163.04512	27.5
165.02449	10.5
168.05043	2.4
170.10880	0.9
171.01358	16.8
171.07965	1.3
171.11638	1.0
173.02931	2.8
173.09644	1.3
175.07507	2.2
179.04005	5.3
183.03514	2.9
185.02866	3.3
185.13271	10.8
186.06094	0.9
187.04456	4.0
188.04100	0.7
189.02428	100.0
190.02579	1.9
191.04048	1.5
195.11623	1.0
203.03972	2.0
203.07504	0.7
203.14281	1.3
204.05444	1.1
205.05597	0.8
207.03474	23.9
208.04533	2.2
212.04083	7.4
213.12721	2.4
221.04985	0.9
230.05118	0.9
231.03482	26.6
231.06281	1.3
231.06694	1.3
231.13783	10.0
233.01074	0.9
249.04565	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.5
55.05492	2.0
56.05025	3.5
56.96295	1.2
56.96558	16.1
57.03428	5.8
58.99849	2.9
60.04515	3.2
60.99600	2.1
61.02920	5.8
67.05490	1.1
68.04997	1.0
68.95489	0.9
69.03418	4.2
69.07041	2.2
70.02930	1.4
70.06579	34.1
70.99837	1.0
71.01331	1.6
71.04968	1.4
71.06892	0.8
71.74068	1.2
72.04517	0.8
72.08142	7.9
73.02897	3.7
74.06062	2.3
77.00886	3.5
79.00642	2.9
79.05456	1.0
81.03398	1.8
81.07040	1.4
82.06561	0.9
82.99841	1.5
84.04495	4.7
84.07642	1.0
84.08132	17.6
84.96019	1.9
85.02889	7.1
85.06538	0.8
86.06052	1.5
86.09695	10.2
87.00841	0.6
87.04453	0.6
88.03976	17.2
89.00882	1.2
91.02428	2.4
91.05427	1.7
93.02177	0.7
93.07008	0.7
95.01353	1.1
95.01913	1.5
95.04968	0.9
95.08582	1.3
96.08071	0.9
97.01672	1.0
97.02869	4.0
98.06030	1.2
98.97564	5.0
99.00748	1.1
99.04433	0.9
99.05579	0.9
100.02481	0.9
101.00861	13.6
101.02434	0.7
102.00948	0.9
102.02226	0.7
102.05494	1.1
103.00615	14.8
103.01276	1.0
103.02429	8.1
105.00371	1.2
105.02229	0.9
105.06998	2.0
107.00168	0.8
109.03460	2.2
110.02369	1.1
110.05997	1.5
110.97530	1.0
111.02963	1.2
112.08743	0.7
113.00796	1.4
113.02348	1.8
113.03461	3.2
115.00577	0.8
115.02431	3.9
115.03918	1.9
116.07075	38.4
116.98592	6.2
117.02149	2.2
117.03944	2.4
117.07021	1.1
118.01093	1.0
118.03498	0.8
119.01900	74.5
119.08578	1.6
120.01973	6.4
120.03237	0.8
121.01647	100.0
121.03439	4.9
123.03180	0.8
125.02644	0.9
125.07104	7.0
127.02439	0.7
127.03878	1.3
128.03374	0.7
128.06116	1.0
128.98560	2.6
129.03922	0.8
129.06979	2.1
129.10216	7.7
130.01898	0.7
130.04976	2.1
130.08603	2.6
131.00180	0.9
131.01869	7.6
131.08516	1.9
133.01648	2.6
133.03439	14.7
133.04932	1.7
133.10120	1.1
134.99631	5.9
135.03168	7.0
135.05017	2.9
137.02928	23.9
138.03038	2.4
139.02666	34.7
140.03380	0.8
142.03506	3.5
142.07768	1.0
143.00133	1.7
143.01874	6.3
143.03397	1.2
143.08554	3.8
144.03232	7.2
144.99780	2.5
145.01607	1.7
145.03438	11.9
145.10095	2.3
146.99541	10.2
147.01318	5.9
147.05009	1.7
147.11212	0.7
149.01164	2.2
149.02930	8.2
151.04527	4.8
153.04233	2.1
155.01880	1.8
157.03448	5.8
157.10075	2.5
158.08075	0.9
158.09306	0.9
158.99651	0.9
159.01346	0.8
159.05008	6.1
159.11662	1.8
160.04532	1.1
160.97571	1.5
161.01208	3.2
161.02930	18.4
162.03017	0.7
162.04308	1.1
162.99199	1.2
163.01012	0.6
163.02574	3.3
163.04521	7.4
165.00607	3.5
165.02434	1.6
167.01984	1.1
167.03972	2.9
168.05132	1.0
168.06509	1.7
168.99847	1.7
169.03445	1.7
170.99591	9.5
171.01360	10.2
171.02589	1.5
171.07613	8.5
173.01535	0.8
173.02896	3.7
174.99091	1.8
175.04633	3.7
177.00688	1.3
177.02405	1.8
177.04489	0.8
177.06068	3.0
179.02209	2.9
179.04008	3.2
183.03441	0.9
184.04532	1.8
185.02911	9.0
185.06496	1.4
185.09337	2.0
185.13239	6.4
187.00880	1.9
187.04497	3.8
188.97026	1.5
189.00635	21.7
189.02426	34.7
189.09109	1.2
190.03760	1.2
190.98714	1.0
191.00461	0.7
191.03958	2.4
193.00194	1.7
193.03824	1.4
195.11430	0.9
196.06024	20.2
198.99089	2.6
199.00937	2.4
201.02388	1.7
201.06100	1.1
202.98642	1.1
203.02251	1.2
203.03981	11.6
203.05852	1.3
205.05484	1.7
206.98088	1.6
207.01671	5.3
207.03497	7.4
208.04556	2.9
212.02257	3.2
212.04036	2.7
213.03592	2.1
213.05507	0.8
213.08710	3.9
213.12616	2.4
214.03712	1.0
214.07068	1.7
215.00230	0.9
217.00075	17.6
217.01964	2.4
219.03531	2.7
221.03157	1.2
221.05089	1.7
225.03548	1.1
226.05647	1.6
231.03499	6.9
231.05115	2.0
231.07115	1.8
231.09608	6.9
231.13736	6.5
231.16982	1.4
235.01286	1.6
240.01741	2.4
248.99153	2.9
249.04808	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.05499	7.3
56.96553	3.4
57.03408	2.7
59.53712	1.8
64.52227	2.5
67.05488	8.7
68.05824	6.2
69.03414	17.4
69.07045	5.0
69.75362	10.6
69.75776	3.8
70.06571	8.6
71.04984	2.5
71.25143	1.8
72.08157	3.1
79.05465	5.1
79.59536	2.0
81.03402	10.2
81.07038	4.3
82.67086	1.8
84.08146	4.2
85.02897	9.0
86.06052	7.8
86.09727	3.5
87.00786	3.8
87.04459	4.5
91.05469	16.0
93.07068	4.9
95.04939	5.0
97.02880	9.0
98.06030	7.1
99.04419	5.6
105.07017	23.4
106.07351	4.1
107.08610	4.9
108.08916	2.4
109.02869	4.5
109.06539	3.1
109.10147	4.0
110.10496	7.2
116.10750	1.9
117.07011	8.8
119.08568	34.3
121.06491	2.3
127.03916	4.7
128.06223	7.3
129.07047	3.3
130.07780	2.8
131.08551	10.4
132.08850	2.2
133.06482	18.2
133.10120	5.2
141.06958	4.9
142.07520	3.5
143.08560	13.4
144.08908	9.5
145.06461	2.5
145.10114	38.7
147.08028	5.5
147.10582	2.1
147.11656	54.5
154.07350	6.1
155.08202	1.9
156.09273	13.3
157.10097	4.3
158.10451	2.9
159.07997	5.3
159.11647	4.6
160.08426	3.4
160.11996	2.8
161.09605	2.9
166.08731	2.3
169.09683	15.1
170.10446	3.4
171.11667	13.7
174.06416	2.5
174.10420	3.6
175.07463	2.3
184.12007	26.8
185.13220	6.5
188.07922	4.6
188.11644	2.7
189.12714	100.0
193.31851	2.1
194.08177	5.4
202.13072	5.1
212.09311	4.0
212.11549	5.7
230.04543	2.2
230.10448	3.7
230.12561	20.7
230.15387	98.3
231.06531	4.4
231.13728	6.2
248.13512	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82595	1.3
55.01859	1.4
55.05493	4.1
57.03409	2.3
57.07073	9.0
67.05495	35.7
69.07054	4.1
69.91961	8.3
70.06572	1.4
76.36847	1.4
79.05483	18.1
81.07037	10.6
83.08581	4.0
87.04753	1.5
91.05465	48.6
92.32491	1.5
93.07030	13.8
95.04974	2.4
95.08583	6.2
96.04552	1.5
103.05429	2.1
105.07011	20.4
107.08567	4.8
109.10147	17.1
109.29684	1.2
115.05418	6.1
116.06199	4.6
117.07002	70.0
119.08580	8.0
121.10126	3.7
123.11723	1.7
128.06186	5.9
129.07011	11.0
130.07755	4.3
131.08548	100.0
133.06500	1.3
133.10089	3.9
135.11758	1.4
141.06918	3.7
142.07776	2.8
143.08557	10.2
144.09300	1.8
145.06421	2.9
145.10109	38.6
147.11703	3.0
149.13245	2.5
153.06992	2.0
155.08511	6.9
157.10112	4.2
158.10904	1.4
159.08011	2.4
159.11670	22.9
161.13213	2.0
168.09351	9.8
173.05949	1.9
173.11813	3.0
173.13193	6.6
183.11656	24.7
187.07484	2.5
187.11163	6.5
187.14766	2.2
201.12689	4.9
201.16338	2.2
211.11139	4.6
229.12283	15.3
229.14407	3.2
229.19473	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.05503	15.2
57.03422	9.3
57.07068	5.8
59.04982	2.5
65.03922	2.4
67.05496	61.3
69.03395	1.1
69.07059	6.4
69.43254	12.7
71.04983	1.9
79.05077	1.4
79.05487	18.4
81.06598	2.0
81.07045	25.8
83.08620	5.5
83.47201	1.1
85.06535	1.6
91.05468	47.9
93.06494	1.7
93.07035	21.9
95.04948	4.9
95.08598	20.1
98.06052	1.1
99.00727	1.4
103.05434	3.4
105.06322	2.1
105.07016	39.5
107.04969	1.2
107.08601	12.7
109.06516	1.5
109.10143	45.2
111.08073	1.9
115.05421	7.1
115.89198	1.0
116.06198	5.0
117.07005	45.4
119.04905	1.5
119.08567	24.1
121.06509	1.8
121.10135	8.4
123.11714	2.6
128.06212	15.0
129.06985	20.3
130.07799	6.9
131.04918	1.2
131.08553	64.3
133.10115	13.5
135.04387	2.1
135.08072	1.1
135.11673	5.1
137.09645	1.7
141.06992	9.6
142.07768	12.3
143.08543	32.5
144.09306	5.9
145.06506	7.9
145.10109	55.4
147.11671	13.4
149.05957	2.2
149.13214	2.8
153.06947	11.4
154.07697	3.4
155.08537	20.8
155.10663	1.8
156.09305	1.8
157.10112	16.7
158.10907	1.7
159.08051	8.4
159.11667	31.6
160.08768	1.2
161.05946	2.1
161.13283	5.7
167.08569	2.8
168.09328	32.0
169.10150	5.2
170.43382	1.3
171.08061	3.6
171.11653	4.3
172.08826	1.6
173.05960	6.6
173.09641	2.9
173.11702	11.2
173.13251	25.0
174.13951	1.3
175.07607	1.4
175.11214	2.4
178.07803	1.5
181.10074	1.9
182.10713	1.5
183.11667	74.2
184.12053	2.6
185.13295	5.8
186.10434	1.4
186.13966	1.5
187.07555	6.6
187.11169	11.9
187.14769	16.7
193.10039	2.6
196.08780	1.7
201.09035	1.2
201.12712	16.8
201.16371	5.2
211.11163	11.2
214.09848	1.3
229.04805	1.4
229.08565	3.4
229.12253	46.5
229.14316	7.8
229.15886	5.8
229.19490	100.0
229.23328	3.3
230.12614	1.5
230.19800	1.9
247.13240	4.7
249.60367	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73537	0.3
54.41135	0.3
55.01864	1.4
55.05499	1.4
56.05012	0.8
56.96559	10.3
57.03421	1.1
57.07070	0.3
58.06594	8.2
58.99867	1.2
59.07369	1.7
60.08157	7.9
61.02918	0.7
67.05496	1.4
68.05010	1.7
69.03420	1.0
69.07066	0.7
70.06585	46.4
70.08646	1.5
71.04982	0.4
71.06910	0.4
71.95264	0.3
72.08147	3.2
72.96030	0.4
73.02908	1.3
74.97607	0.4
76.09430	0.3
77.00897	1.4
79.05487	1.3
81.03401	0.9
81.07027	1.8
81.23830	0.3
82.99834	0.7
83.04984	0.4
84.04493	2.6
84.08133	3.3
85.02909	1.7
86.06066	0.6
86.09695	2.9
91.02448	0.5
91.05479	3.4
93.07044	1.4
95.01954	0.5
95.04972	1.0
96.08124	1.7
97.02869	1.1
97.99197	0.4
98.06055	1.4
98.20709	0.5
98.97571	7.3
99.00813	0.4
99.04440	0.5
100.02478	0.8
101.00873	8.9
101.01522	0.6
101.02425	0.6
103.02459	0.5
103.05500	0.6
105.00352	0.5
105.07031	4.6
107.01789	0.3
107.04949	0.9
107.08599	1.3
109.06532	0.7
110.06062	0.3
110.07217	0.4
112.07573	0.4
113.00902	0.6
114.05531	5.0
114.09130	2.3
115.02448	1.4
115.05447	1.6
116.06319	0.6
116.07010	1.5
116.98607	8.1
116.99374	0.6
117.07003	2.2
118.03517	0.9
118.08614	0.3
118.21159	0.3
119.01907	56.9
119.08549	1.6
120.01995	2.8
120.08115	0.3
121.01665	1.2
121.03489	0.5
121.06535	0.8
123.04397	0.5
124.07598	3.4
126.02237	0.5
126.09123	0.6
126.98763	0.5
128.02283	0.8
128.06213	5.1
128.98615	0.7
129.06995	4.2
129.10242	1.2
131.01894	2.8
131.04848	0.6
131.08562	4.8
133.01640	1.0
133.03468	4.2
133.10181	0.4
134.01225	0.6
134.02904	0.7
134.99649	10.6
135.00710	0.5
135.03271	0.4
136.04562	0.4
137.02945	21.1
137.05934	0.8
138.03049	1.3
140.00272	0.6
141.01340	0.4
141.06985	2.6
142.01910	0.3
142.03485	3.3
142.07768	1.9
142.08633	34.1
143.01903	1.1
143.08548	11.1
143.09602	0.6
144.09457	0.7
144.99808	5.7
145.01602	0.5
145.03468	1.9
145.06461	2.3
145.10104	2.0
145.99962	0.6
146.99657	1.4
147.01370	1.0
147.03217	0.5
147.05023	1.0
148.02045	0.6
149.01125	0.4
149.02982	1.3
149.05960	1.1
151.04523	1.2
153.00662	1.8
153.06976	3.9
154.07779	0.9
154.98273	0.4
155.08531	7.8
155.10519	0.4
157.03531	0.6
157.10110	4.4
158.01265	0.8
158.04901	1.1
159.03236	0.5
159.04430	0.5
159.08006	3.1
159.11668	3.3
160.04594	1.1
160.06438	1.0
161.01631	0.5
161.02971	2.5
163.00928	1.0
163.04594	0.5
165.00670	0.9
165.05070	0.5
166.07639	0.4
167.08582	1.1
168.01552	0.5
168.09335	8.4
168.99846	4.3
169.10103	1.3
170.00031	0.4
170.08096	1.7
171.08051	2.0
172.95256	0.8
172.99370	1.1
173.05992	2.0
173.09595	0.9
173.13145	0.7
173.99507	0.7
174.04344	0.5
175.04544	1.0
175.07654	0.4
175.11201	0.6
176.06085	0.4
177.00970	0.4
177.02458	1.2
178.03081	0.5
178.07629	0.5
181.03479	0.4
181.10165	0.6
183.11667	23.7
184.04588	0.7
184.12105	1.0
185.03014	0.4
185.13292	1.1
186.96806	0.8
187.00877	13.7
187.02625	1.2
187.04518	1.0
187.07520	2.3
187.11147	4.1
188.01047	0.6
188.05989	1.1
189.02809	0.4
189.04265	1.9
190.96355	0.6
191.00410	0.8
191.04054	0.5
192.00583	0.6
193.00197	0.7
193.10071	1.2
196.08862	0.8
196.99332	1.5
197.01100	0.9
199.04553	0.6
201.02417	0.8
201.05992	0.6
201.09126	0.5
201.10844	0.9
201.12677	6.2
202.05621	0.6
204.05292	0.4
205.01936	4.6
205.03706	0.7
205.05675	0.6
205.98825	0.4
206.06966	2.4
207.05354	1.6
210.02472	1.8
211.11182	4.0
215.00356	8.8
215.02106	0.5
216.00693	0.7
219.03580	0.8
224.08029	2.8
228.97748	0.4
229.05331	0.9
229.12227	15.1
229.15446	100.0
230.05042	0.5
230.07076	1.4
230.15811	2.6
233.01497	0.8
238.01961	0.7
247.02887	0.5
247.06705	0.7
247.13271	2.1
248.08095	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
54.67692	1.3
55.01870	3.4
55.05270	1.4
55.05508	8.1
57.03434	7.2
59.04987	2.4
63.70021	1.2
65.03934	2.9
67.05499	39.8
67.05839	2.7
69.03418	2.8
69.07057	3.9
70.62704	1.3
71.04998	2.8
71.74628	1.8
76.05152	1.2
79.05495	9.2
81.07049	27.4
83.04974	3.5
83.08610	3.7
85.06576	1.5
86.06091	1.8
87.04458	1.2
89.08197	1.2
91.05466	25.0
93.07024	11.5
95.04969	5.2
95.08610	6.0
97.06532	3.2
98.06007	2.4
101.81053	1.1
103.05473	3.3
105.07021	31.5
105.07703	1.9
107.04975	1.9
107.08577	10.3
109.06535	4.1
109.10147	26.1
111.08044	2.3
115.05440	6.4
116.06242	1.6
116.55851	1.0
116.96342	1.4
117.06987	9.0
119.01926	1.9
119.04997	1.2
119.08579	20.4
121.06483	1.7
121.10152	6.3
122.57394	1.1
123.04442	2.8
123.11628	6.3
128.06212	23.5
129.06998	20.9
130.07784	1.8
131.04945	2.2
131.08563	24.0
133.06483	3.0
133.10153	4.6
135.04443	4.5
135.08083	1.5
137.48065	1.2
141.06967	16.6
142.07776	18.3
143.08549	50.2
144.09317	5.5
145.06473	10.6
145.10120	17.3
147.08113	1.6
147.11684	23.4
149.06000	3.6
153.06979	18.1
154.07762	5.5
155.06038	1.9
155.08543	32.9
156.09396	3.6
157.10123	26.6
158.07262	1.4
158.10855	2.4
159.04433	2.3
159.08051	11.2
159.11690	16.9
159.12790	1.7
161.06004	2.6
165.06940	2.5
165.12729	10.2
167.08549	6.3
168.09338	43.8
169.06471	2.6
169.10083	10.7
170.10887	1.8
171.08081	7.4
171.11737	4.7
172.08813	1.5
173.05994	10.1
173.09634	9.5
173.11790	6.7
173.13318	6.9
175.11240	5.6
181.06493	2.5
181.10179	4.8
183.08154	4.3
183.11678	100.0
184.12187	4.5
185.09683	2.9
185.13313	5.7
186.10417	2.1
187.07545	11.8
187.11150	16.3
187.14894	2.7
193.10172	4.9
194.08073	1.4
196.08844	3.8
201.09201	3.5
201.12717	25.1
201.14339	1.8
211.07564	3.0
211.11195	16.8
211.14870	3.8
212.09135	1.4
213.09399	1.4
229.05028	3.3
229.08786	11.1
229.12294	67.6
229.14374	20.9
229.16034	9.3
230.12602	2.7
247.13219	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
55.01854	1.8
55.05313	0.9
55.05505	11.5
57.03426	4.5
57.07059	1.6
58.90216	1.0
59.04977	2.3
66.30813	1.2
67.05498	29.5
69.03410	3.8
69.07066	12.9
70.28430	2.4
70.28827	2.8
71.04977	4.1
71.52547	1.1
79.05486	4.3
79.58987	1.1
81.07043	11.5
82.50285	1.1
82.67590	1.0
83.04961	6.9
83.08613	6.8
84.25140	1.0
85.06538	4.6
88.92432	1.0
91.05463	11.0
93.07045	10.6
95.04961	9.0
95.08578	7.4
97.10156	1.2
98.06049	1.6
98.21275	1.1
99.08090	3.0
99.92818	1.3
101.05989	2.1
105.07011	14.9
107.08592	9.1
109.06524	2.8
109.10149	100.0
110.10506	1.3
111.08072	1.4
114.25929	1.2
115.05471	4.7
117.06996	5.3
119.08570	8.7
121.06493	3.6
121.10141	1.9
123.04375	1.6
123.08075	1.5
123.11701	12.6
125.09633	2.4
127.11185	32.1
128.06207	14.9
129.06993	13.8
130.07802	1.2
131.04948	1.6
131.08548	13.9
133.06476	1.5
133.10114	7.7
135.04419	3.4
135.11687	2.9
137.09618	7.2
139.07608	1.3
141.06972	11.2
142.07759	10.4
143.08551	31.4
143.09613	2.3
144.09303	4.0
145.06465	7.4
145.10123	9.8
147.08032	1.2
149.06021	1.8
149.13249	1.8
151.11195	1.8
153.06984	13.7
153.12755	1.4
154.07709	2.3
155.08548	25.9
155.10649	3.4
156.09238	1.2
157.10120	16.8
159.08046	5.7
159.11665	10.5
161.06004	1.2
161.09599	5.9
167.08571	2.8
167.14319	3.9
168.09332	29.0
169.06502	1.4
169.10143	7.2
169.12306	5.7
170.10852	1.3
171.08052	3.5
171.11728	2.1
173.05920	6.0
173.09619	2.3
173.10423	1.2
173.11755	10.2
173.13268	5.6
175.11198	2.7
175.14899	1.3
179.10626	9.0
181.06573	1.2
181.10165	2.9
183.11676	69.7
184.12094	2.3
185.13272	4.9
185.14857	1.1
186.10307	1.5
187.07529	7.0
187.11160	11.8
193.10135	3.5
193.15846	1.6
196.08795	1.9
196.12421	1.2
197.11734	6.4
201.09079	1.6
201.12703	15.9
201.16277	1.7
211.07664	1.4
211.11203	10.9
211.13100	1.7
211.14943	2.5
211.16965	6.7
229.08572	4.4
229.12254	41.7
229.14166	3.1
229.15959	5.2
229.23660	1.4
230.12402	1.5
247.13293	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1218
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
67.05492	8.7
70.15251	1.6
71.76007	2.5
72.32203	1.4
72.43399	1.4
72.65987	1.5
73.17868	1.4
81.07038	4.4
91.05408	1.6
93.07025	2.9
94.43673	1.3
105.07030	4.2
107.08620	2.0
109.10132	5.6
111.87402	1.4
117.07002	2.3
119.08578	1.5
128.06241	2.1
129.07016	3.2
131.08534	6.8
141.07001	2.7
143.08551	26.1
145.06461	2.2
145.10110	2.5
149.05969	4.7
155.08540	8.0
157.10104	8.6
159.08043	5.1
159.11699	7.9
161.05956	1.8
168.09291	8.9
169.10080	2.5
171.08035	3.2
173.05989	7.4
173.13278	4.0
175.11101	2.6
183.11671	94.4
184.11960	2.2
185.13245	4.0
187.07562	6.0
187.11183	11.5
193.10115	4.8
201.08939	1.6
201.12717	24.4
211.11189	19.3
229.08482	4.8
229.12213	100.0
247.13174	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.122
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03930	4.0
55.01855	2.2
55.02126	1.0
55.05493	4.0
57.03424	2.3
65.03930	1.5
67.05504	9.6
69.07046	1.6
69.92655	5.3
69.93072	2.4
79.05483	20.1
81.03391	4.8
81.07053	15.1
91.05461	26.0
93.06598	1.3
93.07040	14.3
95.04958	5.9
95.08593	1.5
97.02864	1.2
98.20705	2.2
103.05457	6.1
105.07022	25.4
107.04953	6.8
107.08582	5.6
109.02866	9.3
109.06460	2.7
109.10086	1.7
110.80828	1.2
115.05410	6.7
116.06213	2.3
116.82137	1.1
117.07019	17.6
117.07810	2.1
119.04919	2.3
119.08571	17.4
121.06476	5.9
128.06235	11.4
129.06989	26.8
130.07755	1.8
131.04906	4.2
131.08546	22.1
133.06450	4.1
135.04430	6.3
135.08014	1.2
137.05913	1.6
141.06982	21.0
142.07776	16.9
143.08551	22.6
144.05742	1.5
144.09294	4.7
145.06488	9.9
145.10103	15.6
147.08014	3.4
149.05995	5.7
153.06978	14.6
154.07738	4.3
155.08530	46.4
156.09276	2.7
157.06461	1.9
157.10109	35.9
158.07243	2.4
159.04356	2.1
159.08020	9.6
159.11716	5.7
161.05972	3.8
163.07468	1.5
165.06996	3.1
166.07753	2.8
167.08496	7.6
168.09317	29.8
169.06427	2.3
169.10156	6.5
171.08054	2.6
173.05984	5.1
173.09584	13.3
173.13202	6.6
175.07507	1.5
178.07761	4.9
181.06483	3.1
181.10081	5.6
183.08067	2.2
183.11674	70.2
184.08923	1.2
184.12193	2.2
185.09605	2.7
185.13213	3.6
186.10429	2.0
187.07504	8.8
187.11166	4.4
193.10124	9.7
196.08871	2.2
201.09087	65.4
201.12694	16.3
210.64500	1.2
211.11150	16.9
211.77184	1.3
229.12213	100.0
229.23537	2.1
230.12447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1221
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
50.16053	0.9
53.03922	4.2
54.57008	1.0
55.01865	2.3
55.05495	3.8
57.03420	1.1
65.03930	1.7
67.05497	10.8
69.07046	2.3
69.63482	8.1
71.04964	1.2
79.05487	16.0
79.70304	1.0
81.03382	4.4
81.07051	12.9
83.08604	1.4
91.05472	24.2
93.07034	13.0
95.04958	6.2
103.05450	5.3
105.04489	1.2
105.07021	24.9
107.04951	6.4
107.08579	6.7
109.02902	6.4
109.06496	2.0
109.10126	3.2
115.05442	5.6
116.06274	1.4
117.07013	12.7
119.04913	1.9
119.08563	14.4
121.06472	4.1
128.06209	20.1
129.06076	1.6
129.06990	29.2
130.07784	2.4
131.04933	2.4
131.08543	22.8
133.06465	4.8
135.04414	5.6
135.08029	1.6
137.05933	1.8
141.06976	21.3
142.07799	18.8
143.08551	29.5
144.05777	1.5
144.09299	4.6
145.06474	9.4
145.10109	14.9
147.08044	3.0
147.11662	1.2
149.05971	4.5
153.06978	16.5
154.07755	5.5
155.08537	46.5
156.09236	3.4
157.10109	33.0
158.07227	1.7
158.10880	1.1
159.04425	1.7
159.08072	8.1
159.11703	7.9
161.05959	3.5
163.07492	2.1
163.15619	1.1
165.06987	2.4
165.43553	1.4
166.07765	2.9
167.08527	6.1
168.09326	36.8
168.10759	1.9
169.06525	1.6
169.10101	9.1
170.10857	1.5
171.08067	3.6
171.11705	1.5
172.08795	1.2
173.05965	7.2
173.09587	8.6
173.13181	6.0
175.07515	1.6
175.11171	2.3
178.07784	5.0
181.06483	4.7
181.10092	7.7
183.08092	3.8
183.11671	82.5
184.12173	1.7
185.09596	2.9
185.13205	5.5
186.10425	1.6
187.07524	8.8
187.11140	7.3
193.10098	12.0
196.08803	4.6
201.09085	39.5
201.12700	20.0
211.11157	22.0
211.14674	1.1
229.12213	100.0
229.15907	3.5
230.12495	3.0
247.13242	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.05513	7.7
57.07055	1.5
62.07854	0.8
65.03918	1.3
67.05502	13.3
69.07066	5.3
69.45976	3.6
69.46404	4.1
79.05486	14.9
81.07053	8.7
83.08606	1.6
91.04910	1.4
91.05472	25.1
93.07033	11.4
95.04973	0.9
95.08589	6.4
97.10197	0.9
103.05443	1.0
105.07019	20.7
107.08583	6.3
109.10138	3.6
115.05427	5.9
117.07007	12.0
117.93490	0.8
119.08568	12.4
120.09124	0.7
121.10143	3.6
122.68314	0.8
123.11705	0.9
128.06216	17.8
129.06989	31.1
130.07750	2.5
131.08554	13.2
133.10107	7.2
135.11690	1.9
141.06955	4.3
142.07767	9.2
143.08545	30.9
144.09259	1.9
145.06488	1.3
145.10121	14.9
146.10422	1.1
147.11629	4.1
155.08514	4.2
156.09357	4.3
157.10120	23.8
157.11395	1.5
158.10860	1.0
159.11688	8.0
161.13240	2.9
169.10127	3.6
170.10889	2.3
171.11662	17.1
171.13046	1.4
172.12485	1.0
173.13248	3.3
183.11768	3.9
184.12424	1.8
185.13223	15.4
193.79347	0.8
198.14005	1.7
199.14821	6.3
227.17929	100.0
228.18248	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.7
55.05505	0.5
56.96561	4.0
57.03422	1.0
58.99855	2.0
61.02916	1.3
65.54486	0.3
68.98280	0.4
69.03413	0.7
70.06597	2.6
70.99839	1.7
71.99898	0.4
72.08163	0.6
73.02903	0.8
77.00898	1.5
81.07050	0.4
82.01437	0.4
82.99809	1.6
84.04500	0.6
84.08125	0.6
85.02889	1.0
86.09670	0.8
89.00877	1.2
89.42333	0.3
91.02412	0.5
91.05469	1.0
93.07051	0.5
93.57150	0.4
97.02873	0.5
98.97572	3.7
100.02440	0.8
101.00874	26.6
101.02568	1.2
102.00931	0.6
103.02452	0.5
105.00316	0.4
105.07048	0.6
110.01242	0.4
110.97549	0.5
113.00849	0.7
114.05537	0.4
115.02434	2.0
116.07042	0.4
116.98617	3.0
118.03529	0.6
119.01910	100.0
120.01977	2.5
121.01635	0.6
124.02454	0.6
126.98755	1.6
127.03910	0.5
128.02271	0.6
128.06239	0.8
129.07011	0.4
131.01874	2.7
131.08554	1.2
133.03458	8.1
134.99651	1.4
137.02946	23.3
138.03062	0.7
141.06924	0.6
142.03508	2.6
142.08635	2.2
143.01892	1.5
143.08551	2.5
144.09352	0.3
144.99817	9.6
145.03450	1.0
145.95311	0.3
145.96510	0.4
145.99927	1.0
146.99586	0.6
147.01360	0.8
148.03877	0.6
149.02959	0.9
151.04507	2.1
153.06999	0.7
155.08554	1.3
157.10172	0.9
159.01384	0.4
159.03239	0.5
159.08072	0.8
159.11673	0.4
160.04509	0.5
161.02960	3.6
163.00897	1.5
163.04575	0.5
168.09315	1.9
168.99825	9.1
169.01265	0.4
169.99928	0.5
171.08076	0.5
172.99364	1.9
173.02911	0.9
173.06027	0.5
173.13301	0.4
173.99423	1.3
177.01025	0.4
177.02412	1.7
183.11674	4.8
187.00883	19.8
187.07520	0.7
187.11180	0.6
188.01105	0.6
189.00839	0.3
189.76701	0.4
191.00304	1.6
191.04025	0.7
192.00487	0.8
193.02040	0.4
196.99297	2.4
197.01062	2.0
198.00769	0.4
201.02478	0.8
201.12723	1.3
205.01949	6.6
205.03772	0.4
206.02066	0.6
206.06992	0.4
210.02490	1.6
211.11154	0.5
215.00337	16.0
215.02058	1.1
229.01712	0.4
229.03693	1.0
229.08623	0.6
229.12256	3.6
229.15479	4.7
233.01413	1.2
238.01901	0.8
248.08188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.05506	12.7
56.30518	1.1
57.07072	8.0
57.10054	0.9
65.03934	1.4
67.05238	0.9
67.05498	9.8
69.07057	7.0
69.43981	7.0
69.44411	4.9
70.37572	1.3
71.08613	2.6
72.04511	1.5
79.05486	17.1
81.07039	9.1
83.08614	3.2
88.07621	1.7
91.05469	26.6
93.07041	9.9
95.04982	2.7
95.08585	4.6
97.06506	1.5
97.10156	3.7
100.11259	2.7
102.09188	2.8
103.35292	1.3
105.07020	16.6
107.08570	4.7
109.10120	2.8
115.05450	11.6
116.06213	1.5
116.10710	2.4
117.07005	9.4
119.08584	5.1
121.10149	1.9
125.09606	3.8
128.06207	46.1
129.06993	58.8
131.08545	7.3
133.10130	2.3
141.06979	10.8
142.07770	29.9
143.08548	67.7
145.06488	3.7
145.10117	6.3
146.61301	1.2
147.11671	2.5
153.07027	1.2
155.05988	2.4
155.08553	9.0
156.09340	6.3
157.10117	45.4
158.10843	1.5
159.11661	2.7
161.13239	2.2
165.06972	1.3
169.10051	5.2
170.10909	3.6
171.08020	1.5
171.11687	16.6
173.13382	1.4
181.10196	1.6
183.11613	2.9
184.12544	1.4
185.13217	9.0
198.14034	1.2
199.14819	4.6
214.79668	1.2
225.16141	1.1
227.06970	2.2
227.10408	3.9
227.12831	4.4
227.17932	100.0
227.19926	5.6
228.18280	2.6
228.23215	43.0
234.90800	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03939	3.3
55.01857	5.8
55.05501	31.6
57.03425	7.7
57.07073	5.9
59.04990	4.5
61.02917	2.3
67.05495	32.4
69.03423	37.2
69.07059	42.9
70.02751	4.4
70.03159	6.1
71.04978	37.0
78.79321	1.7
79.05482	55.2
81.03410	13.5
81.07042	59.9
83.04967	21.9
83.08614	20.4
85.06532	7.5
91.05458	23.4
93.07027	52.1
95.04956	13.3
95.08595	52.9
95.76279	1.7
96.36404	1.8
97.06535	17.6
97.10149	21.2
99.04401	2.2
99.08081	7.1
100.11243	6.0
105.07005	23.9
107.04932	13.3
107.08578	100.0
109.06503	19.7
109.10141	37.8
111.08065	22.6
111.21680	1.9
115.07565	11.0
117.07014	6.7
119.08565	8.2
121.06503	11.2
121.10125	37.1
123.08087	9.7
123.11681	12.7
125.05979	4.8
125.09604	27.3
129.09094	5.6
131.08565	13.9
133.10103	20.7
135.08049	26.8
135.11659	11.8
137.05910	2.1
137.09587	12.1
139.07515	4.4
143.08582	2.2
143.10663	6.6
145.10123	5.6
147.11639	13.5
149.09587	16.7
149.13206	11.1
151.11171	25.7
153.09065	9.3
158.10838	4.2
161.13153	2.5
163.14789	22.2
165.12791	9.3
167.07062	4.4
167.10641	2.8
167.67526	2.1
173.13228	25.5
191.14287	35.3
205.56755	2.0
206.18994	2.0
208.35690	1.9
209.11662	2.0
209.15320	17.3
227.16191	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03928	6.8
53.68799	1.9
55.01854	7.9
55.05268	3.2
55.05504	39.6
56.96554	3.3
57.03418	7.4
57.07058	9.2
59.04996	4.5
62.71346	2.1
65.03927	4.1
66.52182	2.2
67.05496	38.8
69.03424	33.4
69.07060	41.9
69.73810	2.6
69.74204	14.5
71.04981	41.6
73.46017	2.0
79.05485	52.6
81.03414	11.3
81.07049	57.0
83.04971	20.5
83.08611	23.7
85.06532	9.9
86.09697	3.6
91.05472	30.2
93.06499	3.8
93.07040	50.0
95.04964	26.2
95.08598	52.5
97.06529	14.1
97.10152	25.8
98.97557	2.4
99.04459	11.8
99.08060	8.8
100.11245	27.7
102.91100	2.1
103.05438	3.6
105.07017	28.6
107.04928	7.5
107.08583	100.0
107.09318	4.9
109.06522	16.2
109.10151	36.0
111.04443	3.1
111.08058	20.6
115.05437	3.2
115.07530	8.2
117.06995	7.9
119.08569	11.5
121.06497	17.4
121.10129	36.5
123.04390	3.4
123.08047	12.7
123.11679	14.8
125.05955	5.6
125.09615	30.7
128.06197	8.9
129.07018	11.6
131.04895	5.0
131.08546	18.7
133.07544	2.1
133.10120	21.5
135.08044	23.2
135.11684	17.0
135.12677	3.0
137.05939	2.9
137.09557	8.6
139.07530	5.6
139.11145	4.1
141.07001	12.3
142.07742	7.6
143.08533	9.2
143.10655	6.2
145.10124	10.2
147.11658	12.7
149.05910	4.8
149.09581	15.5
149.13242	18.2
151.11171	26.9
153.05338	2.7
153.06963	9.1
153.09071	15.5
154.07704	2.2
155.08527	12.3
156.09267	4.0
157.10095	5.7
158.10973	4.3
161.13248	4.5
163.11162	7.0
163.14819	20.6
165.06982	25.0
165.12715	9.6
166.07776	25.4
167.07019	27.0
167.08350	3.1
167.10626	2.6
168.09296	4.3
169.10184	2.4
171.07986	5.9
171.10161	3.0
171.11655	4.9
173.13232	26.5
177.05444	6.3
179.08521	3.4
181.06500	2.7
181.08763	2.9
181.10098	62.0
183.11676	3.4
183.13809	2.3
184.08800	3.5
185.05914	2.8
185.09663	3.0
191.10721	2.1
191.14308	28.3
192.14581	2.1
199.07483	8.2
199.11125	13.0
204.40179	2.0
209.07907	3.4
209.09621	7.3
209.11665	5.8
209.15166	18.4
213.17889	3.4
227.07147	3.8
227.10716	48.2
227.12729	8.2
227.14426	3.8
227.16420	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01861	14.4
55.05505	28.1
56.66286	3.2
57.03432	7.9
67.05495	35.3
69.07066	17.2
70.28539	7.3
70.28936	7.3
71.04983	3.8
79.05481	46.5
81.03417	3.7
81.07039	28.3
83.04950	7.7
83.08595	21.6
91.05470	12.6
93.07034	52.6
95.04960	13.4
95.08601	57.5
97.02909	7.2
97.06522	9.5
97.10157	6.7
99.04449	10.2
100.11242	11.8
105.07035	10.0
107.04947	12.5
107.08575	44.7
109.10127	6.7
117.07008	14.1
119.08607	14.5
121.06522	9.2
121.10155	18.6
125.09647	7.4
127.64577	3.3
128.06201	5.0
129.07002	5.9
131.08513	4.8
133.10114	4.6
135.11679	67.6
135.12633	5.6
143.08572	7.0
145.10117	38.3
157.10135	6.0
163.11163	84.5
166.07832	4.2
181.10216	4.4
181.12207	14.1
191.98181	4.1
199.11281	4.4
227.07024	5.1
227.10619	25.7
227.12785	100.0
227.17740	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01856	7.3
55.05501	19.2
57.03428	12.2
57.07076	9.5
58.58301	1.4
59.04995	1.8
65.03917	3.2
67.05495	35.4
69.03409	6.2
69.07060	15.8
70.89378	2.9
70.89728	2.4
71.04982	21.6
73.02899	1.5
79.05486	40.0
81.03410	1.4
81.07042	17.7
83.04979	9.9
83.08614	8.0
85.02912	2.4
85.06534	100.0
86.09688	5.0
91.05467	28.6
93.06488	2.7
93.07030	31.7
95.04961	13.7
95.08588	8.5
97.02914	2.0
97.06522	27.8
97.10148	4.7
98.97570	2.2
99.08086	8.3
100.11246	29.4
103.05422	2.7
105.07017	23.8
107.04939	14.0
107.08580	58.9
109.06503	11.1
109.10168	7.5
110.73819	1.3
111.04430	14.3
111.08083	4.5
115.05416	2.2
116.06184	1.9
117.07036	8.3
119.08555	21.6
121.06506	17.3
121.10114	31.5
123.04417	2.6
123.08070	5.1
123.11654	3.5
123.15517	1.4
125.05978	7.8
125.09602	7.9
128.06189	1.9
129.06973	11.1
130.07796	1.9
131.08551	66.9
132.08936	1.7
133.10107	5.1
135.04396	1.9
135.08051	8.2
135.11720	7.1
137.05946	3.0
137.09589	9.6
139.07521	3.4
139.11133	2.5
141.06950	3.0
142.07756	5.1
143.08537	5.7
145.06444	3.5
145.10117	33.3
147.08009	5.8
147.11668	4.1
149.05949	5.1
149.09596	67.4
149.13196	4.6
151.11180	5.6
153.05428	6.4
153.07005	2.0
153.09097	3.4
155.07065	2.4
155.08568	5.6
156.09344	4.0
157.10078	1.8
158.07236	2.3
163.07509	2.9
163.11166	25.2
163.14809	3.6
165.05614	1.9
165.06889	7.1
165.09096	10.9
166.07715	4.9
167.07091	8.1
167.08408	1.9
167.10661	33.4
169.12233	1.9
171.07988	4.1
171.11630	5.0
173.09592	13.0
173.13194	2.6
177.05421	3.1
181.04980	1.9
181.08667	2.5
181.10060	12.3
184.08807	3.7
191.10654	57.8
191.14308	4.7
192.11102	1.9
194.05708	2.0
195.06526	2.9
197.09637	1.7
199.11159	11.1
209.07977	2.9
209.09700	7.2
209.11682	60.9
209.16602	2.2
210.14789	1.7
212.08405	2.3
213.17697	2.9
227.06943	5.4
227.10608	18.6
227.12772	26.2
227.17593	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03933	2.9
55.01856	7.3
55.05501	19.2
57.03428	12.2
57.07076	9.5
58.58301	1.4
59.04995	1.8
65.03917	3.2
67.05495	35.4
69.03409	6.2
69.07060	15.8
70.89378	2.9
70.89728	2.4
71.04982	21.6
73.02899	1.5
79.05486	40.0
81.03410	1.4
81.07042	17.7
83.04979	9.9
83.08614	8.0
85.02912	2.4
85.06534	100.0
86.09688	5.0
91.05467	28.6
93.06488	2.7
93.07030	31.7
95.04961	13.7
95.08588	8.5
97.02914	2.0
97.06522	27.8
97.10148	4.7
98.97570	2.2
99.08086	8.3
100.11246	29.4
103.05422	2.7
105.07017	23.8
107.04939	14.0
107.08580	58.9
109.06503	11.1
109.10168	7.5
110.73819	1.3
111.04430	14.3
111.08083	4.5
115.05416	2.2
116.06184	1.9
117.07036	8.3
119.08555	21.6
121.06506	17.3
121.10114	31.5
123.04417	2.6
123.08070	5.1
123.11654	3.5
123.15517	1.4
125.05978	7.8
125.09602	7.9
128.06189	1.9
129.06973	11.1
130.07796	1.9
131.08551	66.9
132.08936	1.7
133.10107	5.1
135.04396	1.9
135.08051	8.2
135.11720	7.1
137.05946	3.0
137.09589	9.6
139.07521	3.4
139.11133	2.5
141.06950	3.0
142.07756	5.1
143.08537	5.7
145.06444	3.5
145.10117	33.3
147.08009	5.8
147.11668	4.1
149.05949	5.1
149.09596	67.4
149.13196	4.6
151.11180	5.6
153.05428	6.4
153.07005	2.0
153.09097	3.4
155.07065	2.4
155.08568	5.6
156.09344	4.0
157.10078	1.8
158.07236	2.3
163.07509	2.9
163.11166	25.2
163.14809	3.6
165.05614	1.9
165.06889	7.1
165.09096	10.9
166.07715	4.9
167.07091	8.1
167.08408	1.9
167.10661	33.4
169.12233	1.9
171.07988	4.1
171.11630	5.0
173.09592	13.0
173.13194	2.6
177.05421	3.1
181.04980	1.9
181.08667	2.5
181.10060	12.3
184.08807	3.7
191.10654	57.8
191.14308	4.7
192.11102	1.9
194.05708	2.0
195.06526	2.9
197.09637	1.7
199.11159	11.1
209.07977	2.9
209.09700	7.2
209.11682	60.9
209.16602	2.2
210.14789	1.7
212.08405	2.3
213.17697	2.9
227.06943	5.4
227.10608	18.6
227.12772	26.2
227.17593	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1273
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.55638	1.0
53.03917	1.0
55.01859	32.7
55.05497	7.5
57.03419	6.0
57.07059	5.2
57.36609	0.9
65.03924	1.2
65.90144	0.9
67.05488	14.8
69.03414	8.9
69.07048	25.0
70.19065	3.4
71.04977	8.7
79.05478	14.0
81.03397	2.1
81.07042	13.9
83.04978	4.6
83.08591	4.3
85.06528	18.2
86.09686	1.4
91.05453	8.0
93.07027	18.2
95.04952	7.6
95.08583	28.8
97.06506	17.8
97.10146	2.6
98.20658	0.9
99.04448	6.7
99.08061	1.3
99.42262	0.8
100.11236	7.1
105.07018	14.3
106.07327	0.9
107.04939	4.3
107.08569	42.0
109.06497	11.8
109.10124	6.0
111.04398	2.0
111.08065	4.1
113.06010	5.5
115.03887	0.8
115.07572	1.2
117.06960	2.0
119.08549	4.4
121.06486	9.9
121.10120	12.4
123.04350	0.9
123.08051	13.6
123.11655	1.4
125.05960	1.9
125.09621	4.5
127.07604	0.9
129.07002	1.0
131.04903	1.3
131.08553	2.9
133.06433	1.7
133.10098	3.0
135.08029	4.1
135.11649	7.3
137.05981	0.9
137.09557	1.8
139.07538	1.1
139.11160	2.3
145.10095	7.8
147.11650	3.3
149.05969	2.4
149.09583	6.3
149.13196	1.7
151.07507	12.4
151.11130	2.7
153.05453	1.1
153.09064	1.0
153.12753	1.1
155.08453	1.1
157.10074	0.9
163.11159	18.7
163.14812	2.4
165.12679	1.2
167.07016	2.9
167.10635	3.7
168.09296	1.1
169.08560	100.0
170.08913	2.1
171.08002	1.1
171.11664	1.3
173.09686	1.6
173.13240	2.1
177.05478	3.1
178.19299	1.1
179.03386	4.1
181.12227	9.7
183.02853	1.1
185.09509	1.1
191.07114	1.5
191.10646	7.9
191.14296	3.2
194.05695	9.1
199.07475	1.0
209.08115	4.5
209.11670	4.9
209.15096	1.4
227.06981	2.1
227.08830	5.0
227.12425	6.9
227.16245	1.8
227.81650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03934	1.6
55.01853	2.7
55.05503	5.4
57.03421	1.7
57.07063	7.8
57.14218	1.0
65.03916	2.4
67.05496	25.2
69.03417	2.1
69.07058	7.7
69.71473	7.0
71.04987	18.9
71.06232	1.1
79.05486	30.1
79.67682	0.9
81.03414	1.5
81.07063	5.8
83.04961	9.2
85.06534	100.0
86.09689	1.1
91.04928	1.1
91.05476	19.5
93.07034	24.0
95.04926	7.4
95.08585	2.2
97.06514	4.1
99.08072	4.8
100.11247	2.7
103.05459	2.0
105.07014	16.9
107.04943	12.3
107.08578	32.4
109.06512	5.5
109.10128	0.9
111.04420	13.2
116.06245	1.1
117.06987	6.3
119.08569	17.4
121.06496	13.3
121.10123	20.9
123.04406	1.3
123.08046	2.5
125.05975	6.4
125.09560	1.0
129.06979	6.7
130.07809	2.2
131.08546	71.9
135.04382	1.3
135.08026	3.3
135.11694	6.8
137.05942	2.0
137.09630	8.4
139.07498	3.1
141.05437	1.3
143.06961	1.8
143.08557	1.5
145.06436	1.4
145.10110	29.1
147.08034	4.9
147.11732	1.2
149.06013	2.3
149.09596	67.4
153.05460	3.5
155.07007	1.6
155.08533	2.0
163.07512	1.7
163.11177	24.5
165.09097	10.6
167.06956	2.4
167.10655	32.0
173.09613	6.4
179.10651	1.9
181.12210	1.2
190.19894	1.1
191.10640	51.1
192.10905	1.7
197.11723	2.0
209.11707	48.6
210.12076	1.1
227.12747	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0911
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.86696	0.8
53.03947	2.2
55.01858	5.5
55.05507	9.1
56.03426	0.8
57.03426	2.6
63.29113	1.0
64.88961	0.8
65.03930	6.7
67.05502	5.9
69.03397	2.0
69.07066	5.3
69.35982	0.8
69.92384	5.5
70.06568	1.8
70.80819	1.0
71.04993	2.2
71.08592	1.0
72.08138	1.6
73.02907	37.2
79.05476	6.0
81.03422	1.0
81.07052	3.5
82.04195	1.7
83.04987	0.9
83.08606	5.2
84.04490	1.2
84.08119	1.5
85.02895	5.7
85.06535	2.2
86.09703	6.0
91.05462	4.9
93.03387	1.6
93.07039	3.1
95.04948	7.7
95.08605	1.9
97.06526	3.7
97.10146	1.1
99.04449	1.6
100.04186	1.0
100.11246	28.6
103.05470	2.0
105.03377	2.2
105.07034	2.2
107.04937	2.7
107.08584	2.4
108.02094	1.9
109.06484	1.6
109.10165	1.9
110.03610	4.3
111.04457	3.1
111.08084	1.0
119.04907	1.0
119.08547	0.9
121.06506	4.1
121.10161	2.2
123.04414	10.1
125.02338	3.2
125.06007	3.3
125.09628	1.0
128.06207	1.2
128.07195	0.9
131.08551	2.0
133.10081	1.2
135.08029	1.6
137.06021	1.9
138.03102	1.4
138.33334	0.9
140.04662	50.1
142.02580	2.7
143.08524	1.1
145.10168	1.1
149.06003	2.9
149.09573	2.0
153.05519	2.1
155.07008	59.1
163.11243	1.1
166.06259	0.9
166.07671	1.1
167.07027	13.4
171.06596	7.2
173.08119	3.8
173.13318	1.1
177.05478	2.8
179.07019	2.0
181.04939	100.0
182.05257	1.3
182.15349	1.1
191.10590	1.4
191.65196	0.9
195.06612	0.9
199.11171	1.4
209.08073	21.5
209.16502	4.2
210.15027	1.1
227.07028	1.4
227.08965	12.1
227.17584	6.2
247.01385	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0911
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03925	1.1
55.01863	5.5
55.05499	4.7
56.96550	1.2
57.03415	1.6
57.07061	1.4
60.18073	0.9
65.03939	7.3
67.05494	5.8
69.03400	2.3
69.07063	6.6
69.95571	3.9
70.06572	1.9
71.04983	1.3
73.02908	38.3
74.79505	0.7
79.05476	4.3
81.03400	1.1
81.07048	2.6
82.04178	2.0
83.04961	1.9
83.08595	3.6
84.04473	2.4
84.08151	1.2
85.02891	6.1
85.06519	1.3
86.09699	5.5
91.03933	1.5
91.05451	4.8
93.03398	1.0
93.07018	3.7
95.04961	6.7
95.08582	2.3
97.02883	1.7
97.06502	3.3
97.10139	2.3
100.11240	3.3
103.05452	1.7
105.07006	1.4
107.04920	2.1
107.08555	2.6
108.02032	1.5
109.06470	1.3
110.03647	3.9
111.04408	2.8
115.05447	1.0
119.08568	1.2
120.05663	0.9
121.06484	3.2
121.97153	0.8
123.04415	9.8
125.02316	3.3
125.05979	2.7
125.09633	1.0
128.06201	1.3
131.08546	1.6
137.05925	2.0
138.03094	2.2
140.04663	54.6
142.02591	3.2
145.62779	0.8
149.05898	1.5
149.09630	2.0
153.05432	1.3
155.07016	54.6
156.09306	1.3
166.06281	1.1
167.07016	5.8
167.10629	1.7
171.06491	7.0
173.08092	4.5
177.05469	1.3
179.03288	0.9
179.07059	2.8
181.04935	100.0
181.09981	1.6
182.05299	1.9
191.10521	2.1
199.11078	1.1
204.28900	1.0
209.08047	19.6
209.11472	1.8
227.06972	1.8
227.08937	11.9
227.17900	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	13.5
56.96560	15.2
57.03424	22.9
58.99845	7.8
61.02918	69.5
69.03414	14.9
69.07055	16.8
69.17174	4.6
70.06580	21.5
71.05008	5.5
71.73299	5.0
71.73662	6.8
73.02908	10.3
77.00890	7.5
81.03382	7.8
81.07044	8.6
83.08612	9.7
84.04491	23.7
84.08144	34.6
85.02901	18.9
91.02442	5.5
93.07052	7.7
97.02875	12.6
98.97580	7.0
100.02456	9.1
100.11232	14.2
101.00874	24.0
105.00355	8.5
107.04944	5.3
109.02888	10.7
110.07187	6.1
115.02419	10.0
115.05357	5.7
116.07078	19.2
116.98620	6.4
118.03512	6.2
119.01907	100.0
120.05573	6.1
120.78680	6.5
121.06571	6.1
125.89024	4.5
127.03899	7.0
131.01904	23.1
133.03455	14.1
137.02937	28.4
139.02342	5.2
142.02835	8.8
143.01881	10.4
144.99828	24.4
145.03442	39.0
146.03625	7.6
147.01367	6.9
147.05014	6.2
149.01266	6.0
149.02959	10.0
153.05363	6.2
155.01871	6.7
157.03479	20.6
160.04372	5.2
161.01620	5.6
161.02934	27.1
163.00824	6.2
163.04526	15.0
165.09128	5.7
167.02034	6.7
167.06982	15.0
169.03511	30.8
171.01305	6.5
172.99316	10.3
173.02959	19.3
175.04494	7.0
176.02388	9.8
177.02408	19.6
181.10086	6.1
185.02959	38.0
186.02919	6.6
187.00970	12.6
187.04504	40.4
189.02469	9.1
191.00365	12.8
191.03896	11.1
196.00885	25.4
196.85640	7.9
197.02997	20.2
199.00941	7.2
199.04478	7.3
203.04034	21.2
205.01942	11.2
209.03233	6.3
214.01968	6.7
215.00272	7.0
222.05138	9.5
226.86739	22.1
227.01906	6.7
227.04012	17.5
227.10362	19.8
245.05060	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	MKN-003A
Peak:m/z	Relative Intensity
51.74609	1.6
53.03927	1.5
55.05496	5.3
57.07076	7.1
59.04996	4.1
62.30302	1.7
67.05503	2.9
69.03022	1.3
69.03372	1.7
69.07067	7.7
69.07371	1.3
70.35567	6.5
71.01337	1.8
71.04604	2.5
71.04984	41.4
72.10239	1.2
79.05475	6.0
81.03398	2.6
81.07047	11.9
83.04954	4.3
83.08606	9.0
85.02875	2.6
85.06574	2.3
91.05447	4.2
93.07027	5.4
95.04948	4.0
95.08585	11.0
97.06512	15.6
99.04445	100.0
99.08051	2.2
100.04800	1.7
105.03407	1.8
105.07011	4.5
107.08583	39.3
109.06509	23.4
109.10139	1.7
111.08052	2.7
111.11710	4.2
113.09634	3.1
119.08548	4.1
121.06491	2.5
121.10123	16.1
123.08054	17.3
123.11691	19.5
125.09617	9.1
133.10106	1.9
137.09641	1.8
137.13254	4.8
139.11166	4.0
145.02174	1.4
147.11671	9.3
149.09605	8.0
151.07506	1.5
151.11195	2.6
153.12744	1.8
155.10568	1.5
161.09654	1.6
163.11212	1.7
165.12723	14.2
167.10661	24.1
179.14236	2.5
183.13783	48.5
189.12712	2.2
207.13802	12.9
225.12712	2.4
225.14772	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03946	1.8
54.94009	1.0
55.05505	7.6
57.07066	2.2
59.04991	11.9
59.48102	1.2
67.05504	8.6
69.03421	13.9
69.07062	9.6
69.66136	9.5
69.66457	1.9
71.04964	2.0
79.05477	12.4
81.07043	17.8
81.38684	1.3
83.04973	7.4
83.08602	3.5
87.04468	13.4
88.56889	1.3
91.05467	12.6
93.07033	42.8
95.04946	7.2
95.08612	14.3
97.06520	5.5
98.21419	2.2
101.05983	2.9
105.06320	2.4
105.07021	41.9
107.04939	1.5
107.08581	29.1
109.06505	12.2
109.10154	8.0
111.08072	5.5
117.07018	3.1
119.04894	1.5
119.08564	20.7
121.06497	2.3
121.10117	7.6
123.08050	13.9
123.11646	3.1
128.06212	2.5
129.07016	2.1
131.08553	3.7
133.06480	5.2
133.10144	6.9
137.05946	3.4
137.09589	2.4
139.11134	5.0
141.09041	2.2
143.08528	4.4
145.10091	5.1
147.08075	6.4
147.11661	13.5
149.09575	4.4
149.13220	1.4
151.07550	2.2
151.11162	100.0
156.09373	6.2
159.11671	4.6
161.09619	6.0
161.13245	17.0
165.12711	2.1
171.11716	6.9
174.10449	2.4
177.12721	5.2
179.14323	2.0
189.12700	17.9
207.13794	90.9
208.14188	1.7
225.14819	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03934	3.5
55.01862	3.5
55.05500	20.7
57.03419	6.2
57.07067	5.3
59.04991	6.6
59.47351	2.6
61.02925	3.8
61.04061	3.7
67.05492	21.1
69.03421	17.2
69.07062	17.6
70.06574	2.9
70.84132	3.0
71.04986	53.5
71.74632	3.5
76.00397	2.7
79.05477	20.7
79.57110	3.1
79.97620	2.8
81.03409	10.1
81.07043	42.3
83.04967	33.8
83.08611	10.8
84.08119	3.5
85.02906	10.6
87.04465	6.7
91.05479	20.0
93.07027	22.8
95.04958	29.1
95.08592	39.4
97.06516	16.3
99.04446	100.0
99.08079	10.6
101.06006	13.5
105.03376	11.3
105.07014	36.8
107.04933	8.4
107.08578	98.6
107.09321	3.9
109.06519	46.7
109.10150	28.6
111.04423	4.0
111.08038	5.3
113.09623	4.5
115.05505	3.6
117.07031	4.9
119.04919	4.6
119.08572	26.6
120.05598	3.6
121.06504	4.0
121.10136	51.6
122.07262	9.9
123.04459	8.8
123.08056	44.4
123.11694	21.7
125.05983	6.5
125.09621	11.7
127.07555	8.2
130.07784	3.4
131.08589	5.5
133.06532	3.0
133.10103	12.2
135.08020	5.1
135.11691	4.4
137.05975	9.6
137.09613	47.7
137.13251	8.6
139.03951	3.5
139.11183	8.8
141.09158	4.3
141.12683	3.0
143.08553	7.4
143.98531	2.9
145.10112	8.2
147.04416	5.4
147.07980	5.3
147.11673	26.0
149.09601	25.1
151.03882	3.1
151.07527	8.7
151.11150	71.6
155.07030	4.0
155.08591	3.9
155.10622	5.0
161.05975	3.4
161.09650	6.3
161.13275	21.3
163.11168	33.0
165.05556	3.8
165.09068	11.8
165.12753	36.4
167.07059	5.3
167.10667	23.1
169.53514	2.7
171.11621	8.2
177.12766	3.6
179.03436	4.4
179.14349	17.2
183.13783	30.6
189.12743	21.0
193.04953	4.7
197.06065	3.1
197.09717	4.5
207.06476	5.4
207.11888	2.5
207.13770	58.7
211.06125	3.6
225.04103	7.7
225.07384	5.8
225.09146	8.5
225.11029	3.1
225.14706	35.4
225.21790	3.4
226.09752	4.8
227.03873	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
54.24844	2.6
55.05495	10.4
57.03433	5.4
57.07060	9.0
59.04984	9.4
65.61389	2.4
67.05487	9.9
69.03418	11.0
69.07063	20.8
71.01355	2.9
71.04604	4.4
71.04986	83.6
71.74197	4.8
79.05474	15.2
81.03391	4.7
81.07053	26.8
82.05829	2.5
83.04971	59.2
83.08596	11.5
85.02885	17.4
85.06538	7.6
85.10178	3.3
87.04440	3.6
91.05478	13.1
93.07033	25.0
95.04959	15.8
95.08591	34.3
97.06515	31.3
97.10189	3.5
99.04444	65.9
99.08086	35.8
99.11128	2.7
105.03373	7.5
105.07021	26.2
107.04957	5.8
107.08582	49.6
109.06509	38.9
109.10125	17.2
111.08061	8.9
113.05995	8.0
114.37048	2.9
119.08569	24.3
121.10123	53.4
123.08057	100.0
123.11684	16.0
125.05976	5.3
125.09647	9.0
127.07539	36.9
131.08556	12.4
133.10172	7.2
135.08055	4.8
135.11684	8.5
137.09602	12.4
137.13222	12.6
139.11182	9.7
141.09059	5.9
141.12749	3.3
143.08475	3.4
145.10098	6.9
147.08073	3.8
147.11674	17.5
149.09602	36.0
151.07526	12.4
151.11142	24.9
155.10666	24.7
156.09364	3.2
161.13260	10.8
163.11159	8.5
165.05469	4.3
165.12743	13.2
167.10707	17.2
169.08653	3.5
171.11696	7.5
179.14279	36.9
183.13783	16.0
189.12744	16.6
207.10211	3.4
207.13782	60.5
225.09210	7.2
225.12727	5.7
225.14792	66.9
226.09761	4.2
238.07550	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	MKN-003A
Peak:m/z	Relative Intensity
53.03917	1.5
55.01846	2.3
55.05493	8.1
56.96544	1.9
57.03420	2.9
57.07066	11.4
59.04990	6.1
65.03918	1.3
67.05177	1.4
67.05499	12.9
68.51766	1.2
68.87270	1.2
69.03395	5.5
69.07066	11.1
69.98736	6.7
71.04984	8.7
76.40014	1.4
79.05481	14.1
81.03409	6.7
81.06605	1.6
81.07044	17.5
83.04969	44.5
83.08588	3.6
85.02863	3.0
85.06528	4.1
87.04433	1.6
91.05443	9.7
93.07034	16.8
95.04967	15.3
95.08598	20.3
97.02894	1.6
97.06517	28.9
99.04447	13.0
99.08060	1.9
100.11268	1.4
103.05460	1.7
105.03355	3.9
105.07011	17.5
107.04919	4.9
107.08582	17.8
108.05723	1.8
109.02867	1.8
109.06504	13.3
109.10146	8.9
111.04394	1.3
111.08069	2.0
113.05981	12.6
113.09632	1.8
117.06992	3.0
119.08560	14.2
120.05604	1.9
121.06461	2.8
121.10125	30.4
123.04384	3.9
123.08054	33.2
123.11668	4.6
125.05981	81.6
127.07568	2.7
131.08537	4.6
133.06476	6.1
133.10115	5.1
135.08028	2.7
135.11642	5.2
137.05943	3.8
137.09581	2.6
139.03842	1.5
139.07513	5.0
139.11130	2.3
141.06932	1.8
145.10086	11.2
147.08032	1.7
147.11671	11.3
149.09598	7.9
151.07532	37.8
151.11076	1.9
155.08540	1.7
161.05957	1.4
161.09575	1.5
161.13177	5.2
163.11159	100.0
164.11481	1.7
165.05351	1.5
165.09073	3.1
165.12711	6.7
167.07101	1.3
167.10669	2.1
169.04967	7.3
169.06195	2.0
169.08575	12.1
169.09938	1.8
171.11658	1.9
179.14340	2.0
181.12210	38.3
183.11684	1.7
183.13733	2.8
184.07289	9.6
189.12727	12.5
193.04813	1.6
197.05833	1.6
207.06451	2.0
207.13799	17.6
210.08691	1.9
225.03748	1.8
225.05637	2.5
225.07253	1.6
225.09349	7.1
225.11139	2.8
225.12932	2.8
225.14784	59.2
226.09680	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
54.78375	0.9
55.01860	1.2
55.05510	5.6
55.05749	0.9
57.03410	1.3
57.07066	4.9
59.04986	3.0
59.47789	0.8
61.30582	0.9
67.05503	4.4
69.03414	1.9
69.07056	6.2
71.01345	3.2
71.04980	39.4
71.49535	1.8
77.52430	0.8
79.05472	6.5
81.03410	2.2
81.07045	9.1
83.04957	6.3
83.08599	8.4
85.02872	4.9
91.05453	6.2
93.07011	5.4
95.04948	3.6
95.08592	12.4
97.06518	11.7
97.10170	1.0
97.14371	0.8
99.04436	100.0
99.08060	2.2
105.03375	1.1
105.07002	10.8
107.04923	1.1
107.08577	33.3
109.06501	23.0
109.10135	3.6
111.04388	1.0
111.08065	2.5
111.11707	2.5
113.09604	4.4
118.43748	0.8
119.08555	5.9
121.06496	1.9
121.10121	18.7
123.08047	22.0
123.11680	18.3
124.08303	0.8
125.05958	1.9
125.09606	8.6
127.07534	1.5
131.08521	2.5
133.06479	1.3
133.10138	1.3
135.11659	1.5
137.09608	2.8
137.13196	4.6
139.11179	3.6
141.12726	1.8
143.08531	1.0
145.10193	1.3
147.08121	1.0
147.11668	9.5
149.09586	14.1
151.07486	3.4
151.11150	2.6
153.12779	1.4
155.10587	2.0
160.59958	0.9
161.13226	2.3
163.11179	2.5
165.09100	1.4
165.12711	11.6
167.10641	22.5
171.11742	1.7
179.14267	2.8
183.13780	38.0
189.12766	4.7
207.13736	11.5
225.09055	1.1
225.14763	16.5
225.16753	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03938	1.3
55.01846	2.7
55.05495	4.5
56.96545	2.3
57.03421	1.6
57.07058	3.5
57.51976	0.9
67.05488	9.0
69.03399	3.2
69.07047	4.2
70.31831	3.3
70.32239	1.7
71.04977	9.6
74.58968	1.0
79.05474	8.3
81.03401	2.5
81.07046	25.3
83.04973	5.3
83.08602	3.2
84.08160	1.1
85.02892	100.0
85.06517	1.7
87.04459	1.3
91.05471	7.7
93.07041	6.7
95.04932	3.6
95.08585	10.2
97.06498	2.7
98.20792	1.3
99.04445	23.3
100.11272	1.1
105.03345	3.0
105.07001	8.3
107.04959	2.1
107.08584	11.8
109.06498	8.6
109.10144	14.1
111.04406	2.1
111.08069	1.6
117.07096	1.3
119.04931	1.7
119.08565	7.2
120.05600	1.6
121.10121	10.2
123.04409	1.3
123.08051	9.4
123.11690	79.0
124.11992	1.1
125.05972	8.7
125.09608	3.4
129.06975	2.0
131.08565	2.1
133.06499	2.1
133.10115	2.8
135.11664	2.7
137.05872	2.0
137.09578	3.0
139.07518	1.6
139.85109	0.9
141.05383	1.2
141.06937	6.7
141.12683	1.4
142.03302	3.1
143.08575	1.2
145.10074	2.0
147.04382	3.0
147.08031	4.6
147.11673	5.7
149.09602	12.6
151.03922	1.4
151.07582	4.7
151.08588	1.0
151.11172	3.8
153.06934	2.7
153.18132	1.1
154.07730	4.0
155.08455	1.4
159.11777	1.4
161.09590	3.0
161.13284	2.4
163.03856	4.0
163.11153	4.4
165.05464	1.3
165.07053	1.0
165.09009	1.6
165.12718	3.2
167.07018	5.1
167.08438	2.1
167.10681	6.2
169.06451	3.3
169.08731	1.1
169.10085	3.4
171.11615	1.5
178.07841	1.5
179.08545	2.2
179.10760	1.0
181.04860	1.3
181.12181	1.5
182.07115	1.2
183.13750	6.2
189.12691	6.7
191.05186	5.5
197.05997	2.2
197.09621	6.8
200.05750	2.1
207.06519	2.7
207.13768	21.8
207.15616	1.7
225.07207	1.7
225.09236	6.3
225.11143	1.8
225.14813	9.6
226.09676	1.4
241.26837	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03913	1.8
55.01848	1.4
55.05492	5.6
56.96553	6.3
57.03425	3.5
57.07055	4.4
58.40088	1.0
59.04976	2.2
65.03905	1.4
67.05493	14.9
69.03407	4.8
69.07042	5.1
69.86956	8.6
71.04994	6.7
79.05480	10.7
81.03420	2.2
81.06611	1.8
81.07053	29.1
83.04964	5.7
83.08595	2.4
85.02895	100.0
85.06518	2.8
89.03912	1.5
91.05464	10.7
93.07043	8.9
95.04945	7.7
95.08595	27.4
97.06497	4.2
98.20694	2.7
99.04447	9.1
105.03376	5.1
105.07017	26.5
107.04929	3.4
107.08575	10.2
109.06488	8.8
109.10133	14.9
111.04462	2.8
111.08071	1.6
113.05987	2.0
117.03387	2.0
117.06940	1.8
119.04932	2.1
119.08553	11.0
121.06484	2.8
121.10136	17.6
122.88561	1.3
123.04430	1.8
123.08058	19.9
123.11687	78.5
125.05969	10.7
125.09587	2.7
127.03857	1.8
131.01797	1.4
131.08543	2.2
133.06462	3.5
133.10100	4.7
135.08057	2.1
135.11687	3.3
137.05946	1.9
137.09581	5.5
139.07512	2.1
140.10742	1.4
141.06877	1.3
141.09061	5.2
143.01831	2.0
145.02831	5.8
145.10072	3.1
147.04337	1.6
147.08032	4.2
147.11670	7.3
149.05971	1.4
149.09607	14.9
151.07503	9.2
151.11124	2.3
156.09331	1.6
161.01230	1.4
161.02928	3.7
161.13220	3.8
163.11172	5.3
165.05460	1.3
165.09105	3.4
165.12723	4.4
167.10605	2.5
169.08554	2.7
171.11676	2.9
175.03949	1.5
177.05444	8.9
179.14259	2.3
183.06561	1.3
183.13750	2.2
187.02615	1.5
189.12735	8.6
193.08572	2.4
197.09726	1.6
207.06476	3.4
207.10126	2.5
207.13768	22.6
225.04358	2.0
225.09175	2.9
225.11201	6.0
225.14825	12.7
231.01765	2.2
249.02650	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.01848	1.9
55.05502	5.2
56.96555	1.8
57.03436	2.9
57.07068	4.8
59.04991	1.4
67.05499	11.2
69.03423	4.5
69.07062	5.9
69.43341	11.8
70.06571	1.2
70.94089	1.0
71.01351	1.3
71.04977	8.8
77.87864	1.0
79.05482	8.2
81.03404	2.7
81.07047	27.3
83.04970	7.0
83.08611	3.4
84.08127	1.2
85.02898	100.0
85.06534	3.1
87.04453	1.6
91.05472	10.7
93.07040	10.3
93.08350	1.0
95.04952	8.0
95.08601	20.7
97.02830	1.3
97.06532	4.7
97.10180	1.7
98.21447	2.4
99.04446	9.1
99.08075	1.8
105.03376	5.1
105.07025	15.7
107.04954	3.5
107.08584	16.5
109.06516	9.2
109.10154	14.1
111.04449	2.1
111.08079	2.0
113.06001	2.1
113.09697	2.1
115.07558	1.6
117.06961	1.1
119.04945	2.8
119.08554	12.8
120.05622	1.4
121.06516	2.7
121.10136	20.0
123.04433	2.1
123.08067	17.2
123.11694	70.7
125.05978	7.9
125.09615	4.2
127.07594	1.2
129.07016	1.9
131.08580	3.7
133.02867	1.3
133.06477	2.8
133.10123	5.4
135.04393	1.7
135.08028	2.0
135.11682	1.8
136.05182	1.2
136.07640	1.5
137.06015	2.6
137.07896	2.9
137.09602	8.1
139.07561	1.9
139.09474	1.4
139.11192	2.9
141.07036	2.3
141.09081	1.4
143.08534	2.2
145.10156	3.2
147.04411	3.3
147.08022	5.4
147.11699	9.5
149.09602	34.8
151.07527	10.1
151.11185	4.4
156.09341	3.4
159.11636	1.3
161.09676	3.3
161.13239	8.2
163.03905	2.3
163.11160	5.9
165.05469	2.0
165.07498	2.4
165.09100	2.7
165.12668	5.1
167.07155	1.2
167.10689	4.9
171.11681	4.0
174.08784	1.1
174.10394	3.0
179.10649	2.4
179.14351	2.7
181.08563	3.7
183.06657	1.1
183.13846	3.0
189.12721	21.4
193.04953	1.5
196.67523	1.2
207.06516	4.4
207.08371	1.8
207.13789	31.4
225.09299	1.9
225.11240	3.6
225.14828	18.6
226.09897	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03939	2.2
55.01854	2.5
55.05490	3.3
56.96545	2.2
57.03440	1.5
57.07061	2.7
65.03927	4.2
67.05488	4.0
69.03411	2.4
69.07072	2.2
69.48777	0.9
70.06597	1.4
71.04984	4.8
71.74187	1.7
77.03903	1.0
79.05484	4.6
81.03395	1.8
81.07044	7.3
83.04968	4.0
83.08592	1.0
84.04503	1.1
84.08118	1.9
84.26722	1.0
85.02879	2.4
89.03917	2.8
90.35521	0.8
91.05470	62.2
93.03390	1.4
93.07029	3.7
95.04963	6.8
95.08597	4.7
97.02863	1.0
97.06495	1.9
98.06027	1.2
99.04458	5.3
103.05473	2.5
105.03362	6.8
105.06992	5.6
107.04942	3.1
107.08575	4.3
109.06497	3.9
109.10132	3.5
111.04426	1.7
115.07535	1.0
117.03368	1.0
117.06992	1.4
118.04153	7.4
119.04929	61.7
119.08581	4.7
121.02842	2.2
121.06504	2.1
121.10139	2.9
123.04406	3.4
123.08041	3.9
123.11709	2.2
124.89734	1.2
125.06010	5.8
129.03369	1.6
132.02069	4.5
133.02844	2.0
133.06436	1.3
135.04399	1.8
135.08072	1.1
135.11700	1.3
136.05186	2.8
137.05951	1.9
137.09627	2.2
139.03952	1.2
140.83455	1.0
141.63087	1.2
145.10146	1.3
146.03590	3.1
147.04391	48.7
147.08049	1.4
147.11649	2.2
149.02353	7.6
149.09592	2.9
151.03870	1.2
151.07521	4.6
153.05457	1.2
155.06915	1.3
157.03984	3.6
161.09610	1.8
161.13251	1.9
162.03036	1.5
163.03873	2.3
163.11160	5.4
164.04706	5.3
165.05443	2.1
165.09100	2.6
165.12756	1.7
167.10718	1.3
174.03128	1.1
175.03882	82.3
176.04364	1.5
177.01807	4.1
177.05533	1.3
179.07028	7.3
181.08548	2.3
181.12207	1.0
183.06544	3.1
183.13814	1.2
189.12759	2.4
192.04150	26.4
193.04987	1.4
196.04715	1.4
207.06502	100.0
207.13869	4.7
208.06906	1.1
225.03920	2.2
225.07428	3.0
225.09367	1.2
225.11163	2.2
225.14708	4.7
226.09756	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0754
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03937	1.3
55.01846	2.3
55.05497	2.6
56.96565	3.8
57.03437	4.3
57.07073	6.2
61.02923	1.1
62.65821	0.8
63.02385	0.7
65.03931	4.3
67.05476	3.5
69.03406	4.1
69.07053	1.9
69.93876	4.9
70.06591	2.1
71.01328	1.4
71.04970	6.5
73.02911	4.6
77.03909	1.2
78.78885	0.9
79.05487	4.9
80.06240	0.9
81.03402	3.3
81.07050	6.3
83.04967	3.4
83.08601	1.8
84.08150	1.4
85.02885	3.3
85.06544	2.2
86.09693	1.8
87.04445	1.4
89.03878	1.8
91.05471	63.7
92.05796	1.7
93.03408	1.3
93.07024	3.0
95.04963	7.4
95.08594	5.7
97.02885	4.3
97.06514	1.2
98.97557	6.9
99.04449	14.8
103.05444	3.0
104.01273	2.3
105.03386	5.9
105.04469	0.8
105.07034	5.7
107.04929	3.3
107.08591	6.7
109.02837	0.9
109.06512	6.8
110.01279	1.1
110.97550	2.1
111.02045	0.9
111.04463	1.1
115.03943	1.3
115.05437	1.1
116.01264	1.1
116.98611	4.9
118.04173	6.7
119.04929	67.9
119.08549	4.2
120.05441	0.8
121.02841	2.2
121.06475	2.0
121.10128	7.7
122.03598	1.0
123.04440	5.2
123.08060	5.5
123.11700	2.8
125.01746	2.3
125.05983	2.0
125.09603	2.3
128.98579	5.2
129.03333	1.5
131.01837	1.7
131.08539	1.2
132.02034	4.1
133.02823	1.8
133.06432	1.1
133.10121	0.8
134.03633	0.9
134.05956	0.9
134.99637	2.9
135.04434	4.1
135.08105	1.2
135.11670	1.1
136.05156	2.7
137.05940	2.7
137.09572	1.8
139.03918	1.1
140.02322	1.4
140.04584	1.4
141.06984	1.3
141.09045	1.1
143.00139	1.0
145.02800	1.2
145.10129	1.1
146.02254	1.6
146.03578	1.8
146.99652	4.8
147.04391	57.5
147.11717	1.2
149.02332	10.2
149.05956	1.6
149.09576	4.5
150.03064	1.2
151.03889	1.1
151.07500	3.3
153.05458	1.1
154.07748	0.7
155.02831	3.4
155.07028	2.4
157.03960	5.3
158.99637	2.9
161.05975	1.0
161.13254	3.3
162.05489	1.4
163.03972	1.9
163.11162	4.2
164.03366	1.3
164.04671	8.1
164.07072	3.0
165.05408	1.9
165.09071	2.4
165.12837	1.9
166.53549	1.1
167.02777	2.1
167.10643	3.3
169.10155	1.1
170.99643	3.0
174.03087	2.5
175.03893	85.5
177.00661	2.3
177.01872	2.6
179.03354	1.2
179.07018	6.0
179.08353	1.2
179.10637	1.3
179.14258	2.5
180.06490	1.0
181.04913	0.9
182.07115	0.9
183.06461	4.4
183.13795	4.1
189.00665	2.8
189.12657	1.9
192.04161	28.8
193.04898	3.3
196.54782	0.9
197.09509	1.5
201.00539	0.9
204.06493	17.3
204.56578	2.3
207.06477	100.0
207.13803	3.5
208.05977	4.0
213.07057	4.1
224.57780	3.3
225.04076	2.0
225.07401	3.0
225.09323	1.4
225.14813	5.9
225.19592	1.7
226.09767	1.3
227.03989	1.2
249.02888	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12548	0.6
70.09402	3.4
77.00885	0.7
81.07034	1.1
83.04975	0.9
83.38896	0.7
84.96041	0.7
95.08620	0.9
99.04431	1.1
101.00871	8.0
111.35069	0.8
116.98676	1.0
118.03455	0.9
119.01901	62.3
120.01998	3.3
122.33902	0.8
133.03419	0.9
134.99861	3.8
137.01895	1.4
137.02942	26.9
137.04611	1.0
140.98845	1.6
142.03476	6.5
144.23109	0.8
144.98367	0.8
153.00902	2.6
158.06563	0.8
158.99852	4.9
160.04527	2.8
161.02985	2.0
166.97194	0.9
172.31677	0.7
175.03029	1.3
177.00929	100.0
178.01028	10.5
178.03664	0.8
179.00609	3.4
179.04024	3.4
182.99828	1.3
183.06165	2.0
184.04530	2.4
193.04077	2.2
195.01987	1.8
199.02840	0.9
200.02522	3.4
201.00977	3.5
201.02272	3.4
202.02620	1.4
202.05511	1.1
217.04051	9.9
218.03656	0.8
219.01962	89.5
220.02058	20.2
220.04033	1.1
221.01817	2.5
221.05019	1.0
225.00775	1.8
225.02542	1.3
225.04256	1.6
225.07277	1.1
242.03571	3.4
243.01878	12.6
244.02002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01854	2.5
55.05490	3.3
56.96545	2.2
57.03440	1.5
57.07061	2.7
65.03927	4.2
67.05488	4.0
69.03411	2.4
69.07072	2.2
69.48777	0.9
70.06597	1.4
71.04984	4.8
71.74187	1.7
77.03903	1.0
79.05484	4.6
81.03395	1.8
81.07044	7.3
83.04968	4.0
83.08592	1.0
84.04503	1.1
84.08118	1.9
84.26722	1.0
85.02879	2.4
89.03917	2.8
90.35521	0.8
91.05470	62.2
93.03390	1.4
93.07029	3.7
95.04963	6.8
95.08597	4.7
97.02863	1.0
97.06495	1.9
98.06027	1.2
99.04458	5.3
103.05473	2.5
105.03362	6.8
105.06992	5.6
107.04942	3.1
107.08575	4.3
109.06497	3.9
109.10132	3.5
111.04426	1.7
115.07535	1.0
117.03368	1.0
117.06992	1.4
118.04153	7.4
119.04929	61.7
119.08581	4.7
121.02842	2.2
121.06504	2.1
121.10139	2.9
123.04406	3.4
123.08041	3.9
123.11709	2.2
124.89734	1.2
125.06010	5.8
129.03369	1.6
132.02069	4.5
133.02844	2.0
133.06436	1.3
135.04399	1.8
135.08072	1.1
135.11700	1.3
136.05186	2.8
137.05951	1.9
137.09627	2.2
139.03952	1.2
140.83455	1.0
141.63087	1.2
145.10146	1.3
146.03590	3.1
147.04391	48.7
147.08049	1.4
147.11649	2.2
149.02353	7.6
149.09592	2.9
151.03870	1.2
151.07521	4.6
153.05457	1.2
155.06915	1.3
157.03984	3.6
161.09610	1.8
161.13251	1.9
162.03036	1.5
163.03873	2.3
163.11160	5.4
164.04706	5.3
165.05443	2.1
165.09100	2.6
165.12756	1.7
167.10718	1.3
174.03128	1.1
175.03882	82.3
176.04364	1.5
177.01807	4.1
177.05533	1.3
179.07028	7.3
181.08548	2.3
181.12207	1.0
183.06544	3.1
183.13814	1.2
189.12759	2.4
192.04150	26.4
193.04987	1.4
196.04715	1.4
207.06502	100.0
207.13869	4.7
208.06906	1.1
225.03920	2.2
225.07428	3.0
225.09367	1.2
225.11163	2.2
225.14708	4.7
226.09756	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
56.05005	1.0
56.96543	1.1
57.07060	1.0
67.05457	0.7
67.69950	0.7
70.01435	2.5
70.01847	1.5
71.04995	0.9
79.73706	0.7
81.03416	1.1
81.07047	1.2
83.06065	0.8
84.96042	1.6
90.65739	0.6
95.04939	0.8
95.08614	1.6
98.97692	0.7
99.04398	0.9
100.02512	0.8
100.94696	0.7
101.00866	7.9
105.03429	1.6
107.08577	0.8
109.06524	1.2
116.98624	1.0
118.03517	1.2
119.01911	63.4
120.02013	1.6
120.36744	0.8
121.01633	0.9
123.11763	0.9
125.02310	0.7
134.99857	3.7
137.02948	29.9
142.03494	7.2
153.00941	4.5
158.06694	0.9
158.99844	4.3
159.06215	0.8
160.02657	0.6
160.04552	3.8
161.02966	2.2
173.02991	0.8
175.03038	1.5
177.00940	100.0
178.01010	10.7
179.00592	3.1
179.03989	3.3
179.10695	0.7
183.01349	0.8
183.06203	1.8
184.04546	1.9
185.02696	0.7
193.04028	1.0
195.02029	1.8
200.02553	3.2
201.00830	3.3
201.02452	5.6
202.00842	1.4
202.02626	3.0
202.05554	2.2
203.04024	0.7
217.04059	11.5
219.01970	82.2
220.02080	17.7
220.04033	1.0
221.01927	2.2
225.00945	2.1
225.02644	1.3
225.14839	0.8
227.04074	0.8
242.03658	3.9
243.01849	13.2
244.02007	1.2
244.53586	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0914
Annotation	N-acetyl-DL-tyrosine
Peak:m/z	Relative Intensity
55.01840	1.3
55.05489	1.3
56.96540	1.5
67.05483	3.0
69.03408	1.1
69.07059	1.0
71.73721	0.7
71.74168	1.1
78.49845	0.8
79.05463	1.6
81.07030	3.1
83.04968	1.0
83.06087	0.9
84.08127	1.2
85.02879	3.2
86.09646	0.8
87.00812	3.0
91.05456	3.5
93.07021	4.9
95.04948	1.5
95.08583	3.7
97.02876	0.8
99.04464	1.0
103.05428	0.7
105.07001	2.1
107.08558	1.5
108.08100	23.4
109.06470	1.0
109.10138	1.2
119.08580	1.7
120.08086	8.1
121.06489	5.4
121.10093	0.9
123.08047	2.2
123.11703	2.0
125.05995	1.1
132.08072	1.1
133.10074	1.1
136.07553	100.0
137.05977	1.2
137.07947	1.3
138.09117	52.8
149.09590	1.4
151.07492	1.7
160.07559	10.4
164.07039	80.9
165.07405	1.0
170.20282	0.9
178.08672	0.8
183.06067	1.0
188.07025	3.4
189.12656	1.6
206.08095	42.7
207.13834	1.4
224.06958	1.1
224.09142	11.6
224.13008	1.4
225.11270	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1689
Annotation	4,5-Epoxy-13-hydroxy-beta-caryophyllene
Peak:m/z	Relative Intensity
55.01848	1.7
55.05484	4.8
57.07045	5.9
59.04987	2.8
67.05494	11.5
69.03390	2.9
69.07064	8.9
69.50639	6.1
69.51074	5.8
71.04984	11.2
79.05494	8.1
81.03368	1.7
81.07045	51.2
83.04950	3.7
83.08569	2.7
85.06508	1.9
89.49088	1.3
91.05467	6.5
93.07014	11.3
95.04965	10.0
95.07999	1.6
95.08589	24.3
97.06478	2.2
97.10108	1.6
99.04441	31.7
105.07007	7.9
107.04909	1.8
107.08575	12.6
109.06458	4.1
109.10165	12.1
111.08035	3.6
117.06979	2.8
119.08516	5.9
121.02804	1.4
121.06474	2.5
121.10127	18.8
122.13496	1.3
123.08022	3.0
123.11690	70.5
125.09631	1.5
130.09805	1.5
131.08501	6.0
133.10072	2.2
135.04327	1.7
135.07993	4.4
135.11658	4.0
137.09557	5.1
145.10054	5.6
147.07986	1.3
147.11597	5.5
149.01434	1.2
149.02335	13.0
149.06000	1.5
149.09567	4.7
151.11156	100.0
152.11386	1.8
153.05309	1.9
159.11639	2.8
163.03780	1.6
163.11131	4.4
163.14792	2.4
165.09073	2.1
167.03322	2.7
167.08444	2.1
167.10632	1.6
177.12616	2.5
177.16309	3.1
181.10059	2.1
181.12074	1.5
182.05669	3.1
187.14723	4.3
190.02542	2.4
193.10080	2.7
194.10651	1.6
195.06424	2.6
205.12025	2.0
205.15848	17.6
208.03664	2.2
208.12428	3.5
223.05858	10.9
223.07727	1.5
223.11093	3.9
223.13185	8.1
223.14870	5.8
223.16841	43.5
225.04218	5.7
226.65938	1.5
227.02049	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.169
Annotation	Chromolaevanedione
Peak:m/z	Relative Intensity
53.03929	1.1
55.01864	2.2
55.05509	8.0
57.03434	1.5
57.07076	6.3
59.04980	2.0
64.10870	1.2
65.03938	1.4
67.05502	24.7
69.03414	1.5
69.07063	18.6
70.06588	1.4
70.87634	1.1
71.04993	7.7
71.74374	1.7
79.05465	7.2
81.03408	2.5
81.07055	20.0
83.04992	3.7
83.08608	6.0
85.06538	15.6
87.04459	1.2
90.90008	1.1
91.05482	5.0
93.07037	12.0
95.04968	3.3
95.08594	19.4
97.06520	15.4
99.04430	1.7
105.07034	10.6
107.04912	3.3
107.08590	16.4
109.06505	8.5
109.10149	100.0
110.10418	1.4
111.08070	12.5
111.11716	6.1
111.43805	1.2
113.09654	5.2
119.08590	6.5
121.06504	3.7
121.10143	11.8
123.08083	3.8
123.11691	26.5
125.05917	2.0
125.09666	1.4
127.11222	5.9
131.08562	4.2
133.10107	2.4
135.04408	1.4
135.08054	5.0
135.11691	3.6
137.09618	3.9
139.11156	2.4
145.10143	4.7
147.11678	5.7
149.02325	10.2
149.05977	1.8
149.09618	8.4
149.13246	1.7
151.03879	1.9
151.11171	4.4
159.11678	2.8
161.13242	4.1
163.07494	1.3
163.11191	2.7
163.14790	7.2
165.07106	1.6
165.12695	2.6
177.05479	2.3
177.16371	3.5
180.09293	1.6
187.14842	4.7
193.10086	2.1
195.06334	1.4
205.12209	2.3
205.15866	14.6
223.05914	13.1
223.07693	1.2
223.11165	3.6
223.13289	6.1
223.15018	1.4
223.16849	19.7
224.09102	1.5
225.04346	5.5
227.02158	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
53.03923	3.9
55.01869	4.5
55.05503	20.1
55.69498	1.6
57.03412	3.0
57.07064	4.7
59.04990	2.3
63.88714	1.7
67.05485	10.2
69.03412	11.0
69.07051	5.7
69.56968	17.3
70.06567	3.3
71.04993	9.3
79.05481	17.8
81.03408	4.5
81.07050	14.8
83.04967	14.3
83.08609	61.1
85.02876	8.1
85.06565	2.4
91.05458	12.5
93.07045	15.2
95.04955	9.2
95.08597	17.9
97.02882	29.8
97.06521	6.2
98.20713	4.4
99.04449	8.0
99.08076	2.6
102.12255	1.9
105.07019	19.4
107.04937	7.2
107.08578	100.0
108.08875	2.2
109.02875	3.0
109.06506	9.8
109.10167	9.6
111.08097	4.3
117.06976	4.5
119.08576	34.0
121.06513	8.9
121.10127	35.2
123.08064	18.5
125.05988	8.2
125.06898	2.1
125.09620	57.0
129.07007	5.3
130.07735	1.9
131.08556	7.2
133.10091	3.1
135.04361	2.8
135.08043	8.5
135.11670	20.9
137.05992	2.8
137.09532	10.3
139.07491	4.8
139.11137	3.3
144.09335	3.5
145.10097	17.9
147.08017	21.6
149.02341	11.5
149.05986	3.3
149.09590	2.5
153.09106	3.2
153.12733	7.4
159.11679	28.8
161.09579	3.0
163.03940	1.7
163.07555	4.0
163.11157	57.5
164.11485	1.8
165.09097	23.0
167.03413	5.4
177.12759	9.5
181.08778	2.0
181.12207	48.6
182.05774	10.4
187.11143	5.9
193.08571	2.5
195.06502	4.3
195.10274	2.9
205.12222	32.6
205.15758	2.0
208.07254	2.2
216.52718	2.0
223.05873	10.8
223.09642	7.3
223.13208	37.3
223.16902	7.4
225.04268	11.0
227.02328	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0961
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
53.35644	0.9
55.01865	3.6
55.05519	2.0
57.07076	5.0
60.05636	1.7
62.74348	0.9
65.03942	2.8
67.05502	6.9
67.37315	0.9
69.03429	1.7
69.07062	4.4
70.06589	3.1
71.04984	1.3
71.74676	1.6
79.05487	5.3
81.03426	2.7
81.07047	8.1
83.04992	3.2
83.08614	2.9
84.08110	1.3
85.02891	3.1
85.40779	1.0
91.05468	4.0
93.03437	1.0
93.07029	6.3
95.04962	6.8
95.08598	8.5
97.02871	1.4
97.06517	2.3
97.10170	1.2
98.98457	1.6
105.06970	2.6
107.04953	3.4
107.08585	6.4
109.06527	2.4
109.10149	4.2
111.04436	2.5
111.08072	2.1
117.07027	1.3
119.08587	2.3
121.02855	7.3
121.03661	1.0
121.06499	3.2
121.10132	4.2
123.08080	1.5
123.11704	1.2
129.07011	1.4
131.08574	3.0
133.10062	1.4
135.08029	1.8
135.11700	3.1
137.09622	2.0
138.16518	1.1
139.07552	1.8
145.06476	1.2
145.10086	2.2
149.02330	100.0
149.09613	1.2
149.13219	1.2
150.02711	1.6
159.11700	2.2
162.02992	1.2
162.84860	1.0
163.03856	1.3
163.07539	1.8
163.11142	5.4
164.73317	1.0
165.09084	1.4
166.07899	1.1
167.03366	2.0
167.07089	2.1
167.08557	3.0
177.05406	1.7
177.12762	1.5
181.10086	1.2
181.12186	1.6
187.11160	1.6
190.02576	1.7
195.08104	1.7
195.11708	1.5
205.04961	2.3
205.12215	2.4
218.87192	1.2
223.05817	8.0
223.07697	3.2
223.11203	1.9
223.12970	8.0
223.15070	2.3
223.16634	4.8
223.20476	1.4
225.04300	5.8
227.02185	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0963
Annotation	2,4,5-Trimethoxycinnamaldehyde
Peak:m/z	Relative Intensity
50.13792	0.4
52.67314	0.4
53.03946	0.5
55.01867	100.0
55.05505	1.3
55.61384	0.4
56.02205	0.7
57.03436	1.3
57.07075	0.6
60.92525	0.4
67.05495	1.4
67.87463	0.4
69.03421	1.6
69.07058	1.0
70.06576	0.8
71.73665	0.7
72.78992	0.5
75.04477	0.5
77.10890	0.4
79.05492	2.1
81.07042	1.7
83.04967	1.4
83.08610	0.7
85.02885	2.0
85.06537	0.5
91.05469	2.8
92.76988	0.6
93.07030	3.6
95.04951	1.6
95.08601	2.0
97.02850	1.0
99.04437	0.6
103.05439	0.8
105.07006	2.6
106.04181	0.8
107.04926	1.3
107.08584	2.7
109.06492	1.2
109.10139	1.1
111.04424	0.5
111.08097	0.5
115.05415	0.4
117.06992	0.8
119.08552	1.4
121.02850	0.5
121.06514	2.6
121.10148	2.5
123.08061	0.9
125.06016	0.5
125.09615	1.1
131.08524	0.7
133.02846	0.8
133.06447	1.3
133.10075	0.7
134.03639	0.9
135.04398	0.9
135.07980	0.8
135.11674	0.7
137.05942	1.2
137.09570	2.1
139.07495	1.0
143.08537	0.5
145.10088	1.4
147.04433	0.5
147.07947	0.6
148.05150	1.2
149.02344	2.3
149.05974	2.2
149.09579	1.5
150.06723	0.6
151.07480	0.6
152.04655	1.4
153.05437	0.5
159.11649	1.3
160.05206	0.7
161.05981	2.8
162.03058	0.7
163.03897	0.6
163.07529	1.6
163.11191	2.2
163.14798	0.4
164.08267	1.0
165.05466	2.3
165.06667	0.4
165.09117	0.9
166.06223	0.6
167.06995	4.8
167.08383	0.8
176.04634	1.0
177.05479	4.0
177.12677	1.0
179.10692	0.6
180.07797	2.7
181.08534	1.0
181.12224	0.4
187.11115	0.7
190.06256	0.8
191.07024	5.9
192.06122	0.6
192.07797	9.1
193.04962	0.6
193.08398	0.7
195.06422	0.6
195.08038	1.3
195.10100	4.1
205.04984	0.8
205.08604	1.1
205.12152	1.6
208.07205	0.6
223.06076	2.3
223.07751	1.2
223.09593	16.3
223.13107	4.8
223.16882	1.5
223.20340	0.5
225.04349	2.1
227.02109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0962
Annotation	3,5-Dimethyl-8-hydroxy-7-methoxy-3,4-dihydroisocoumarin
Peak:m/z	Relative Intensity
53.03931	2.9
53.55538	0.8
55.01846	3.4
55.05482	2.1
56.96549	1.1
57.03417	2.2
57.07061	1.9
65.03929	1.3
67.05489	5.4
68.99765	1.3
69.03394	2.0
69.07050	2.8
70.06566	2.7
71.04954	1.2
71.26128	2.2
79.05485	22.1
81.03391	2.7
81.07040	7.6
83.04972	2.3
83.08597	1.4
85.02877	2.0
85.06512	0.9
91.05473	10.9
93.07050	5.0
94.04147	1.7
95.04968	9.4
95.08608	5.7
97.06492	2.0
103.05463	15.5
104.06232	1.1
105.07023	30.5
107.04944	10.0
107.08566	4.3
109.02869	1.1
109.06509	9.0
109.10136	2.2
111.04440	1.7
111.08062	1.6
115.05418	4.2
117.06996	2.3
118.04151	5.2
118.26450	0.9
118.93155	0.9
119.04920	2.9
119.08565	3.7
120.02080	1.9
120.05700	3.2
120.08900	1.2
120.99963	1.1
121.02879	1.0
121.06493	4.8
121.10112	3.0
122.07222	1.8
123.04439	1.9
123.08036	2.8
123.11713	1.7
124.05198	3.5
125.06021	1.9
131.04932	2.3
131.08537	1.4
133.06477	22.5
133.10098	1.0
134.07257	2.0
135.03436	1.3
135.04405	12.0
135.08034	17.4
135.11682	2.7
137.05974	25.7
137.09583	2.9
139.03920	0.9
139.07539	1.2
145.06479	1.2
145.10060	1.1
147.04369	5.6
147.08018	2.9
148.05164	2.2
149.02316	9.0
149.05963	3.7
149.09558	1.8
149.13278	1.5
150.06735	18.8
151.03871	2.1
151.07512	1.7
159.11694	2.6
161.05940	3.9
161.07210	0.9
162.03136	1.5
162.06781	5.0
162.09792	1.0
163.03900	14.4
163.07576	4.5
163.11211	1.5
165.05444	10.6
165.09099	76.0
166.09464	2.1
167.03410	7.2
167.07034	2.3
167.08484	1.4
177.05424	2.9
177.12712	4.0
178.06198	3.1
178.13089	13.7
179.03423	2.1
179.06940	1.5
180.04156	18.2
180.07722	0.9
181.04836	2.1
182.05734	13.3
183.06485	1.1
190.02525	1.1
192.07756	1.8
193.04953	15.4
193.08589	18.1
195.06514	59.9
195.10138	13.1
205.06573	1.2
205.08496	1.3
205.12239	1.3
208.07280	43.4
223.05963	6.1
223.07845	3.6
223.09616	100.0
223.13229	4.6
223.16878	4.7
223.18776	2.4
224.09930	1.4
225.04311	5.1
227.02255	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0961
Annotation	3,5-Dimethyl-8-hydroxy-7-methoxy-3,4-dihydroisocoumarin
Peak:m/z	Relative Intensity
51.63847	0.9
53.03926	1.8
55.01849	1.1
55.05503	1.0
60.93255	0.8
64.26140	0.9
65.03925	1.9
70.70061	2.6
79.05480	8.6
81.03410	4.7
81.07034	2.2
83.04950	0.9
91.05473	4.6
93.03389	1.7
93.07006	0.9
95.04958	4.3
103.05457	8.1
105.07017	16.7
107.04950	6.3
107.08552	1.5
109.02858	8.9
109.06516	5.4
115.05427	2.3
117.07001	1.0
118.04119	3.4
119.04926	1.4
119.08568	1.1
120.05650	2.1
121.06476	2.6
121.10135	0.9
122.07241	1.2
124.05242	1.5
125.05916	1.0
127.03877	1.3
131.04909	1.9
133.06473	14.3
135.04399	5.7
135.08052	8.8
137.02299	3.0
137.05957	13.6
139.03856	1.2
147.04408	2.8
147.08035	0.9
148.05176	0.9
149.05951	1.9
150.06752	9.4
151.07477	1.3
159.04408	0.8
161.05940	2.7
162.06729	3.0
163.03856	6.6
163.07512	2.5
165.05499	4.0
165.09097	36.4
166.09456	1.0
167.03375	47.4
177.05421	1.8
178.06213	2.7
179.07005	0.9
180.04155	10.1
182.05724	100.0
192.07811	0.8
193.04912	8.2
193.08557	15.7
195.06508	29.1
195.10136	7.4
205.15898	1.5
208.07283	18.5
223.09612	44.6
224.09863	1.1
239.85109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0598
Annotation	K 251-1
Peak:m/z	Relative Intensity
53.03926	0.8
55.01856	1.4
55.05499	0.8
56.96539	0.7
57.07054	1.0
65.03918	0.7
67.05479	1.1
69.03417	2.1
69.07050	1.0
70.06551	1.0
71.01690	0.3
71.04969	0.5
71.74049	0.4
72.08157	0.3
78.04707	3.1
79.05481	3.9
79.80931	0.4
81.03397	1.5
81.07048	2.2
83.04945	1.3
83.08620	0.5
84.08130	0.5
85.02869	0.6
85.06506	0.5
86.09673	0.7
89.03915	0.4
91.05464	3.1
93.03376	0.5
93.07031	3.0
93.66818	0.4
94.04150	0.4
94.06520	0.4
95.04951	2.6
95.08584	1.4
97.02876	2.1
97.06499	0.6
97.07693	0.3
99.04441	0.5
103.05462	1.2
105.03350	1.1
105.04455	0.3
105.07007	3.1
106.04179	1.8
107.04939	18.2
107.08582	2.6
108.08120	0.4
109.02858	1.4
109.06467	1.0
109.10149	0.7
111.08065	1.0
112.08765	0.3
115.05434	0.5
117.03374	0.4
117.07003	0.9
118.04172	0.6
119.04884	0.7
119.08577	2.2
120.08095	2.5
121.06501	3.3
121.10116	2.3
123.04412	0.7
123.08038	0.8
125.05974	0.7
125.09628	0.6
127.03902	0.6
129.06984	0.4
129.10213	0.6
131.04971	0.6
131.08533	1.5
133.02814	1.1
133.06476	1.0
133.10098	1.2
134.03603	5.9
135.04407	6.5
135.08006	1.6
135.11679	1.0
137.02330	0.6
137.05933	1.3
137.09575	0.7
139.03905	0.3
139.07532	0.7
143.08543	0.4
144.09360	0.6
145.03940	1.1
145.06505	0.8
145.10078	1.2
147.07959	0.7
149.02328	4.0
149.05920	0.9
149.09601	1.2
149.13283	0.8
150.03149	0.7
150.06758	0.7
151.03842	0.3
152.04611	0.4
153.05417	0.4
157.10097	0.7
159.08092	0.4
159.11678	3.5
161.02315	1.0
161.06035	0.3
161.09567	1.0
162.03096	23.3
163.03894	9.8
163.07497	0.7
163.11166	2.3
165.01857	0.7
165.05411	0.5
165.09065	2.7
166.08609	0.6
166.50970	0.3
167.03389	3.3
167.07027	2.1
169.10016	0.3
172.08815	0.5
175.07559	0.5
175.11127	0.8
177.01868	0.5
177.05411	0.8
177.09077	0.5
177.12766	2.3
177.14078	0.3
178.02570	0.7
179.03371	6.8
179.06984	0.4
180.04137	2.1
181.04929	0.5
181.12204	0.8
182.05724	6.0
187.11220	1.7
190.02582	24.0
191.03215	1.1
193.01311	2.5
193.04930	0.4
193.08559	0.9
194.02107	2.7
195.06512	3.2
195.08107	0.5
195.10052	0.5
195.94554	0.3
205.01282	0.6
205.08655	0.5
205.12216	3.2
207.02872	10.8
208.01663	0.8
208.03639	16.6
208.07204	1.2
209.04097	0.5
223.05981	100.0
223.09573	3.3
223.13202	6.2
223.16678	1.6
224.06349	2.3
225.04297	3.5
227.02213	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01874	2.3
55.05501	4.5
56.05027	2.2
56.96564	10.0
57.03423	3.0
57.07059	3.0
58.99855	1.5
60.04495	1.6
60.05636	2.2
61.02898	1.5
67.05488	4.1
69.03412	3.9
69.07060	3.7
70.06584	11.1
71.04980	2.3
71.72942	1.7
72.08145	6.1
73.02924	2.6
74.06068	1.8
77.00914	1.6
79.05482	10.4
81.03410	5.0
81.07056	4.7
81.30123	1.5
82.01435	2.1
82.06601	1.4
82.24177	1.4
83.04981	4.1
84.04482	2.9
84.08136	16.9
85.02901	4.2
86.09715	8.1
91.05428	6.8
93.07039	4.9
94.06564	1.4
95.04942	6.7
95.08590	2.8
97.02883	3.3
98.97581	2.5
98.98435	1.3
100.02475	10.6
101.00868	2.6
102.02250	1.4
103.05443	9.7
105.07021	15.2
107.04932	7.6
107.08567	2.0
109.02869	12.4
109.06514	4.5
109.10137	1.4
110.07117	1.9
111.08045	1.7
112.08664	1.9
113.00864	2.3
116.07049	1.7
116.98624	3.3
117.06986	1.6
118.03498	9.4
118.04172	2.4
119.01907	18.8
119.04887	2.9
119.08619	1.6
120.02051	2.1
120.05680	3.2
120.08121	1.6
121.02869	2.4
121.06505	4.8
121.07645	1.4
121.10145	2.4
121.29847	1.2
123.08019	2.8
127.03930	1.7
129.10242	8.9
130.08629	1.9
131.01900	28.6
131.04926	3.8
132.05211	2.9
133.03484	3.8
133.06496	13.5
134.99699	2.7
135.04407	6.2
135.08058	9.9
136.04543	2.5
136.06148	2.2
137.03096	6.6
137.05940	10.8
141.05162	2.1
142.03493	8.1
142.04424	1.4
144.99815	4.3
145.10178	1.8
147.04370	3.0
149.02911	16.8
149.05989	3.0
149.09634	1.4
150.02998	1.7
150.06760	8.5
151.04559	1.3
151.95409	1.4
154.03485	29.0
155.03564	1.9
156.05070	4.2
156.97456	5.6
157.97536	6.4
158.97273	3.2
159.01447	1.6
159.06152	1.7
160.04564	4.5
161.02950	2.1
161.05998	1.8
162.06752	2.4
163.03899	6.2
163.07559	4.7
163.11137	2.0
164.06950	1.7
165.05391	3.1
165.09106	34.6
167.03395	45.0
167.04691	1.7
168.01456	4.8
172.04509	16.3
173.02917	1.7
174.98575	7.0
175.00830	1.5
175.98621	15.5
176.04094	2.3
176.98341	4.3
177.00862	3.3
177.02448	18.3
177.05356	4.4
177.10291	2.6
177.12842	1.5
178.06175	1.9
179.03452	1.9
179.06866	1.5
180.04147	8.2
181.04852	2.0
181.08575	2.0
182.03244	11.9
182.05731	100.0
183.06148	2.3
190.05655	1.9
193.04956	5.0
193.08601	13.5
193.10223	2.1
195.03627	9.6
195.06488	26.0
195.08160	2.6
195.10092	6.6
198.00143	2.0
198.98538	1.9
199.98656	3.8
200.04045	44.9
201.00632	1.6
201.02373	3.1
201.04111	3.3
205.12250	1.7
208.07298	17.9
216.01265	1.6
217.01868	1.5
217.99484	7.2
218.05066	15.6
219.03569	2.5
223.05971	13.7
223.09645	35.0
223.11519	6.2
223.13304	2.1
223.16962	5.3
225.04268	32.7
227.02254	13.3
241.06677	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.05504	59.7
56.05021	1.1
56.11077	0.6
57.07058	0.8
58.99574	2.8
59.06115	1.1
60.04517	3.1
67.05486	0.8
70.06588	2.5
70.64642	0.9
70.65020	1.1
72.08140	1.7
76.02217	2.2
79.05489	1.2
81.07025	1.1
83.08609	100.0
84.08132	0.8
84.08953	1.6
86.09689	0.7
86.99045	5.4
91.05477	1.3
93.07043	1.0
95.04944	0.9
101.09650	11.4
103.05453	26.7
105.00071	6.7
105.07019	0.6
107.04975	1.0
120.08115	0.8
122.02720	1.2
122.07114	0.6
123.08067	0.9
128.89821	0.6
130.06505	7.1
131.04910	62.8
132.04407	1.4
133.06496	0.6
135.07977	0.9
136.07562	0.8
137.05971	8.6
137.07884	1.8
137.66240	0.7
148.07559	4.0
149.02322	1.2
158.05968	2.5
159.08289	1.0
161.08324	2.7
163.07523	31.0
164.07970	0.8
165.09030	1.4
167.03357	1.6
174.13531	0.6
176.07048	11.0
176.08424	1.1
177.09033	1.4
180.04077	0.6
180.10129	3.9
182.05701	2.4
189.07809	3.7
190.08582	5.1
204.10223	2.0
205.08920	14.0
205.10748	1.2
207.08897	6.9
222.11226	71.6
223.06084	2.0
223.09625	1.8
223.11539	1.2
225.04297	2.7
227.02365	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1122
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
51.31780	0.5
53.03942	1.2
55.05506	47.3
56.05034	0.7
58.99585	3.0
60.04519	3.2
70.06583	2.4
71.73489	0.9
72.08141	1.6
76.02218	1.3
79.05504	0.7
81.07048	0.8
83.08611	73.5
84.08128	1.1
84.08942	1.1
86.09663	0.5
86.99044	4.0
91.05453	1.2
92.05833	0.6
95.04984	0.6
95.92957	0.6
98.97550	0.6
101.09644	11.4
103.05457	44.0
105.00076	5.5
105.07009	1.1
107.04924	0.8
107.08575	0.9
115.05445	0.8
119.04968	0.6
120.08103	1.3
121.06434	0.7
122.02710	1.1
122.03577	0.7
130.06532	4.5
131.04916	84.3
132.04376	1.1
132.05264	1.1
134.09627	0.9
136.07561	0.5
137.05974	11.0
137.07907	1.5
138.06406	0.9
143.04767	0.6
145.06473	1.4
148.07579	5.5
149.02328	1.0
149.05928	0.6
149.14610	0.6
158.06026	1.5
159.08371	0.9
161.05959	0.8
161.08347	4.9
162.09132	0.9
163.07530	47.9
164.08072	0.6
167.03372	1.3
176.07048	13.6
177.09120	1.0
178.08571	0.8
180.10139	5.2
180.57164	0.5
182.05751	2.1
187.07884	0.6
189.07855	5.3
190.08618	9.8
204.06587	0.7
204.10150	2.7
205.07204	0.8
205.08940	9.0
207.08882	9.2
222.11235	100.0
223.05972	1.3
223.11494	1.4
225.04288	1.9
227.02315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1122
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
56.05016	0.6
56.60417	0.5
60.04517	4.0
70.98840	1.2
70.99180	0.9
77.03894	0.5
84.08133	0.6
85.35470	0.4
85.60648	0.5
91.91319	0.5
94.04176	0.6
95.45435	0.5
103.05453	44.4
109.07616	0.7
114.31112	0.5
117.07021	0.7
120.08053	0.6
122.03640	0.8
131.04909	94.8
132.05263	1.0
133.06392	0.6
133.39581	0.5
135.07967	0.7
137.05956	10.9
145.06522	0.9
148.07545	2.5
157.53682	0.5
161.05975	0.8
161.08330	4.1
162.09077	0.7
163.07520	51.3
164.07904	1.0
165.09090	0.7
167.03343	1.5
174.98514	0.7
175.07585	0.6
176.07047	7.8
177.09077	1.4
180.10178	6.2
182.05722	2.2
189.07828	5.2
190.08611	9.7
193.86287	0.5
204.10149	3.1
207.08881	9.0
221.18542	0.5
222.11223	100.0
223.09654	1.2
223.11621	1.9
225.04240	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.37886	1.9
52.08561	1.9
52.13623	1.8
53.03933	3.9
55.01869	2.5
55.05510	19.9
57.07065	5.7
57.17262	1.9
59.05011	2.5
67.05502	27.5
68.99764	2.2
69.03413	3.6
69.07061	35.8
71.04984	8.5
71.08612	2.0
71.74599	2.7
78.95675	2.1
79.05479	31.6
81.07049	57.2
83.04977	21.6
83.08605	10.8
85.02898	2.3
85.06534	5.0
91.05466	31.1
93.07033	37.6
95.04966	8.4
95.08602	55.1
97.06532	5.6
97.10155	10.3
103.05456	37.1
104.06284	3.1
105.03373	4.8
105.07025	62.9
107.04939	25.2
107.08586	53.3
109.06509	9.1
109.10152	49.7
111.08080	8.7
111.11705	3.6
115.05447	7.5
117.06977	5.3
118.04185	6.0
119.04942	5.5
119.08572	39.9
120.05703	5.2
121.06509	4.0
121.10133	27.4
123.04455	3.7
123.08061	5.2
123.11685	15.0
125.09622	10.0
129.06995	5.8
130.04123	9.3
131.04915	21.8
131.08539	4.3
132.05685	8.2
133.02831	2.9
133.06473	8.1
133.10115	31.8
135.08038	21.1
135.11656	10.5
137.05949	2.6
137.09596	8.2
139.11169	4.2
145.06451	9.3
145.10133	3.8
146.03569	6.1
147.04387	8.7
147.07961	3.9
147.11673	39.8
148.05179	22.9
148.07524	2.7
149.13248	5.2
151.07556	3.2
151.11182	4.8
151.63412	2.3
157.10159	3.6
159.11679	3.4
161.05995	5.0
161.09642	6.0
161.13245	33.7
163.03928	2.4
163.07527	100.0
163.14812	15.3
164.07893	3.0
165.05440	2.7
165.09158	4.3
165.12747	5.5
175.07489	3.0
175.11108	3.3
175.14801	17.0
176.04655	4.7
177.16345	4.6
185.13190	3.1
191.05278	4.7
191.07019	94.3
193.06940	2.6
203.10760	2.9
203.14273	6.1
203.17929	72.4
206.16129	4.4
221.04428	6.9
221.06303	3.9
221.08055	25.5
221.11574	5.0
221.13467	3.6
221.15466	18.9
221.19003	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01866	1.4
55.05501	10.2
57.03421	1.0
57.07080	5.4
59.04969	1.5
65.03920	2.0
67.05495	12.8
69.03396	1.6
69.07055	14.5
69.42303	11.3
71.04982	18.8
73.06554	1.1
79.05482	19.9
81.07047	55.9
83.04959	2.6
83.08617	6.3
85.06541	2.6
91.05457	14.2
93.07031	41.0
95.04942	4.0
95.08595	30.9
97.06504	2.0
97.10155	2.3
99.08066	3.7
103.05437	3.1
105.07014	27.8
106.19229	0.8
107.04955	4.8
107.08578	59.6
107.58815	0.9
108.51006	1.1
109.06504	5.5
109.10149	24.4
111.08053	4.1
111.11723	1.2
113.09632	1.3
113.31998	0.9
117.06979	2.6
118.06506	1.1
119.01895	1.0
119.04906	1.2
119.06831	1.4
119.07715	2.2
119.08566	41.6
121.06471	3.4
121.10137	12.3
123.08048	2.9
123.11696	18.6
125.09650	1.2
127.11185	5.2
131.04919	1.9
131.08582	1.3
133.06453	1.5
133.10109	25.4
135.08005	4.2
135.11676	100.0
137.09598	5.8
137.13222	3.9
139.11150	1.6
145.10094	3.7
147.08003	2.0
147.11661	21.5
149.02306	2.8
149.05975	1.0
149.13252	8.7
151.07542	1.7
151.11142	3.5
159.11661	2.1
160.12338	1.6
161.05981	2.2
161.09596	3.8
161.13258	11.9
163.07555	6.3
163.14792	4.4
165.09094	4.2
165.12746	2.7
175.07468	1.8
175.11110	1.0
175.14803	4.2
177.09058	2.1
177.12796	1.2
177.14622	3.6
177.16312	2.4
179.07155	1.1
179.10539	1.2
179.14256	1.2
185.13255	1.4
191.07057	5.9
193.08604	1.3
193.15764	1.7
203.10701	1.4
203.14336	2.1
203.17924	34.0
206.16234	1.3
221.04491	1.5
221.08046	11.2
221.11688	2.6
221.15309	5.7
221.17252	10.2
221.18982	46.2
222.18578	1.9
228.76726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.77338	1.0
53.03925	2.0
55.01853	1.0
55.05501	18.6
57.03414	1.2
57.07069	7.6
59.04976	2.8
63.61205	0.9
67.05497	21.5
68.79865	1.0
69.03418	1.0
69.07059	23.9
69.56964	4.9
69.57384	4.0
71.04982	6.8
71.08618	2.3
78.04669	1.0
79.05483	13.8
81.07047	43.9
83.04978	8.0
83.08610	18.5
84.78245	1.0
85.06519	2.5
85.10168	3.7
87.42949	1.1
88.39404	0.9
90.31827	1.0
91.05465	13.7
93.07031	27.9
95.04937	3.1
95.08595	57.5
96.08936	1.6
97.06504	4.8
97.10148	7.0
98.21541	1.2
99.08083	2.3
102.97201	1.1
103.05454	1.6
105.07013	44.6
107.04864	1.2
107.08579	53.2
109.06490	3.1
109.10142	43.8
111.08061	6.5
111.11702	2.0
113.09632	1.2
115.05444	1.0
117.06995	2.1
119.08567	38.1
121.06517	1.4
121.10132	31.6
121.84993	0.9
122.11837	1.0
123.08039	3.3
123.11707	14.2
125.09609	14.3
131.08549	2.0
133.06476	1.3
133.10112	29.5
133.11124	1.6
135.08041	2.1
135.11664	9.1
137.09663	4.7
137.13246	3.3
139.11192	3.2
145.10126	3.3
145.50645	0.9
147.11670	44.9
147.12852	2.2
149.13269	4.7
151.11151	6.5
153.12746	1.4
159.11656	1.8
161.13245	25.3
163.07506	3.8
163.14807	12.7
165.12732	9.8
175.07541	1.5
175.14813	17.1
175.65219	1.2
177.16357	7.6
179.33408	1.1
191.07047	2.9
201.78738	1.2
203.17931	100.0
204.18333	2.4
206.16109	2.2
211.66399	1.2
221.04396	1.8
221.15387	6.0
221.18982	70.2
222.19339	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.27148	2.3
52.15187	2.0
53.03924	2.2
53.98817	2.4
55.01851	2.9
55.05503	9.9
56.96544	2.4
57.07068	2.7
67.05501	12.7
68.99796	2.2
69.07065	11.0
71.04977	12.5
71.74804	3.5
79.05482	16.4
81.07049	35.0
83.04980	2.2
83.08600	4.7
85.02899	2.8
91.05476	15.7
93.07037	26.2
95.04958	7.1
95.08607	22.5
97.06522	2.9
99.08088	3.0
102.04645	2.2
103.05453	32.4
105.03404	3.2
105.07027	36.9
106.17910	2.1
107.04925	26.1
107.08585	34.8
109.06510	3.0
109.10146	15.4
111.08056	5.1
115.05440	8.1
117.06995	4.2
118.04111	5.8
119.04955	3.8
119.08563	33.9
120.05713	4.7
121.06509	4.2
121.10137	9.6
123.04380	2.0
123.08061	4.4
123.11680	9.8
125.09679	2.9
127.11146	2.0
130.04150	6.3
131.04939	24.5
132.05678	6.0
133.02838	4.5
133.06480	8.1
133.10112	18.1
135.08060	19.7
135.11681	49.5
135.12639	3.8
137.09627	4.0
137.13217	3.0
145.06480	9.6
145.10007	2.6
146.03691	4.0
147.04436	5.5
147.11682	16.6
148.05170	20.9
148.06248	2.7
149.13268	5.2
151.11189	4.4
161.06036	2.8
161.12088	2.1
161.13188	13.4
163.07524	85.8
163.11209	3.0
163.14825	2.6
164.07962	2.6
173.73985	2.0
175.14790	5.3
176.04681	6.0
191.07016	100.0
192.07292	3.3
203.14252	3.7
203.17917	19.0
206.16203	4.2
221.04524	4.0
221.08051	23.7
221.11685	3.3
221.15460	13.8
221.19022	26.8
221.21103	2.7
221.21948	2.4
240.21677	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.01866	1.7
55.05504	16.6
57.07071	8.5
59.04982	4.9
66.21867	1.6
67.05498	30.9
69.07060	19.4
71.03314	4.9
71.04969	4.2
79.05479	15.9
81.07050	55.8
83.04955	2.4
83.08613	10.3
84.04499	1.8
85.06525	3.3
91.05463	15.8
93.06489	3.0
93.07035	32.9
95.04983	4.0
95.08601	85.8
97.06517	3.1
97.10176	7.6
99.08127	4.4
103.05476	5.9
105.07024	52.4
107.04945	6.3
107.08582	47.7
109.06493	5.3
109.10144	61.0
109.73065	1.7
111.08052	4.3
115.05451	2.6
117.07036	3.8
119.04845	1.9
119.08576	57.7
121.10131	28.0
123.08019	4.5
123.11694	23.7
125.09633	3.8
131.04926	3.6
133.06485	2.5
133.10107	34.5
135.08026	4.4
135.11674	25.6
137.05981	1.8
137.09618	4.8
137.13258	6.1
139.11162	4.7
145.06456	1.7
145.10144	3.2
147.04395	2.8
147.11679	54.6
148.05215	1.5
149.02419	1.8
149.13222	12.4
151.11159	7.4
161.05919	2.5
161.09552	2.0
161.13240	18.9
163.07523	13.6
163.14792	18.1
165.12752	9.3
175.11183	1.6
175.14777	5.0
177.16377	14.8
191.07039	10.2
193.19473	2.8
203.17941	78.0
204.18282	2.4
221.04611	2.0
221.08067	27.4
221.11720	2.1
221.18993	100.0
222.19406	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03929	5.3
55.01847	1.7
55.05504	21.6
56.67495	1.5
56.96541	2.4
57.03424	1.6
57.07069	8.8
59.04985	2.7
65.03939	2.3
67.05500	31.7
69.03400	1.5
69.07062	31.0
69.41518	15.0
71.04992	10.6
79.05484	26.4
81.07044	64.5
83.04967	18.6
83.08604	16.1
85.02872	1.7
85.06534	5.3
85.10155	2.4
87.82291	1.5
91.05463	27.0
93.07036	43.7
95.04971	5.3
95.08595	72.1
97.06527	5.2
97.10166	8.2
99.08086	2.8
103.05459	7.1
105.03353	1.8
105.07020	57.2
107.04934	5.2
107.08582	69.0
109.06496	10.1
109.09404	2.6
109.10147	54.7
111.08080	9.1
111.11705	4.1
113.09579	1.8
115.05457	2.4
116.98763	1.6
117.06996	4.7
119.04950	2.4
119.08570	51.2
121.06469	4.3
121.10134	36.1
123.04420	2.3
123.08064	6.1
123.11698	14.8
125.09622	15.8
127.11234	1.9
129.07063	2.8
131.04924	4.4
131.08565	4.5
133.06493	4.7
133.10120	39.0
135.08043	6.6
135.11682	29.3
137.05988	2.3
137.09627	6.8
137.13229	4.9
139.11180	4.5
143.08540	2.3
145.06459	3.3
145.10156	3.7
147.04391	4.0
147.08070	3.7
147.11674	50.5
148.05156	4.6
149.13269	5.0
151.07492	1.8
151.11171	9.7
151.14784	2.5
153.09132	2.1
157.10185	2.4
159.11702	4.3
161.05933	3.1
161.09627	3.1
161.13245	37.3
163.07497	14.6
163.14815	14.3
163.96397	1.4
165.09071	2.6
165.11557	2.1
165.12709	10.9
175.03981	2.6
175.07521	3.2
175.11168	3.2
175.14798	16.8
177.16394	10.4
179.14386	1.8
185.13269	2.8
191.07071	13.0
193.06839	3.0
193.08565	2.0
193.15891	2.2
199.93239	1.6
203.10663	3.3
203.14325	5.3
203.17940	100.0
204.18423	2.0
206.16187	4.7
221.04436	5.3
221.08046	6.9
221.09962	1.9
221.11716	5.3
221.15483	17.6
221.19003	64.0
222.91296	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03931	1.9
55.01866	1.4
55.05501	10.2
57.03421	1.0
57.07080	5.4
59.04969	1.5
65.03920	2.0
67.05495	12.8
69.03396	1.6
69.07055	14.5
69.42303	11.3
71.04982	18.8
73.06554	1.1
79.05482	19.9
81.07047	55.9
83.04959	2.6
83.08617	6.3
85.06541	2.6
91.05457	14.2
93.07031	41.0
95.04942	4.0
95.08595	30.9
97.06504	2.0
97.10155	2.3
99.08066	3.7
103.05437	3.1
105.07014	27.8
106.19229	0.8
107.04955	4.8
107.08578	59.6
107.58815	0.9
108.51006	1.1
109.06504	5.5
109.10149	24.4
111.08053	4.1
111.11723	1.2
113.09632	1.3
113.31998	0.9
117.06979	2.6
118.06506	1.1
119.01895	1.0
119.04906	1.2
119.06831	1.4
119.07715	2.2
119.08566	41.6
121.06471	3.4
121.10137	12.3
123.08048	2.9
123.11696	18.6
125.09650	1.2
127.11185	5.2
131.04919	1.9
131.08582	1.3
133.06453	1.5
133.10109	25.4
135.08005	4.2
135.11676	100.0
137.09598	5.8
137.13222	3.9
139.11150	1.6
145.10094	3.7
147.08003	2.0
147.11661	21.5
149.02306	2.8
149.05975	1.0
149.13252	8.7
151.07542	1.7
151.11142	3.5
159.11661	2.1
160.12338	1.6
161.05981	2.2
161.09596	3.8
161.13258	11.9
163.07555	6.3
163.14792	4.4
165.09094	4.2
165.12746	2.7
175.07468	1.8
175.11110	1.0
175.14803	4.2
177.09058	2.1
177.12796	1.2
177.14622	3.6
177.16312	2.4
179.07155	1.1
179.10539	1.2
179.14256	1.2
185.13255	1.4
191.07057	5.9
193.08604	1.3
193.15764	1.7
203.10701	1.4
203.14336	2.1
203.17924	34.0
206.16234	1.3
221.04491	1.5
221.08046	11.2
221.11688	2.6
221.15309	5.7
221.17252	10.2
221.18982	46.2
222.18578	1.9
228.76726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.63995	1.0
53.03930	2.7
55.05507	12.9
57.07056	4.0
59.04979	1.5
62.15318	1.3
67.05491	10.7
69.03416	1.6
69.07058	13.1
69.60383	1.1
70.42514	1.2
70.94289	3.6
71.04980	24.2
79.05485	16.0
81.07045	57.2
83.04955	2.4
83.08614	5.6
85.06516	2.6
91.05456	12.1
93.07034	41.3
95.04959	2.2
95.08597	30.8
97.06522	3.5
97.10142	2.9
98.57188	1.2
99.08070	3.4
104.25970	1.2
105.07011	28.4
107.08581	58.2
109.06519	2.1
109.10145	26.2
111.08085	2.4
113.09639	2.0
117.07002	2.0
119.08565	38.8
121.06482	2.2
121.10152	12.8
123.08007	3.0
123.11685	14.1
125.09610	2.6
127.11224	5.8
131.08539	2.4
133.10112	22.8
135.11674	100.0
137.09590	5.3
137.13214	4.8
138.05338	1.4
145.10132	2.4
147.11667	20.0
149.13235	9.4
151.11140	3.1
152.91599	1.2
160.12453	1.4
161.09615	1.8
161.13223	9.6
163.14816	3.2
163.96317	1.2
165.12726	3.4
175.14798	2.9
177.12743	4.5
177.16301	2.6
179.10683	1.4
203.17929	38.8
221.08116	2.4
221.15346	3.3
221.18985	54.5
222.18851	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05508	16.9
56.55091	2.0
57.07071	13.8
59.04973	3.9
59.15683	2.1
61.05169	2.1
62.77140	2.4
67.05488	26.8
67.42709	2.1
69.03420	2.8
69.07063	25.0
69.65881	10.4
69.66305	8.3
69.78703	2.2
71.04976	3.4
73.79490	2.2
79.05476	17.0
81.07042	64.1
83.08643	11.5
85.06522	6.6
91.05470	17.2
93.07034	36.4
94.07944	2.3
95.04941	3.5
95.08596	78.2
96.67158	2.2
96.89265	2.4
97.06513	6.7
97.10146	7.7
97.58215	2.5
105.06319	4.0
105.07015	64.0
107.08575	58.0
109.06503	7.1
109.10143	64.3
111.08050	16.4
111.11694	4.9
113.77530	2.4
119.08566	57.3
121.06533	2.4
121.10126	32.7
121.32723	2.7
123.08057	7.1
123.11699	35.4
125.09608	8.2
127.11248	2.5
133.10112	45.2
135.11665	17.4
137.09602	7.6
137.13225	6.4
139.11099	2.4
147.08037	3.5
147.11681	65.7
148.11938	2.3
149.13217	15.6
151.11153	9.8
153.12695	2.7
161.13240	32.5
163.14786	19.6
165.09097	4.0
165.12733	15.3
175.14836	16.0
177.16348	3.6
203.17924	100.0
204.18239	2.8
206.10799	2.8
219.64009	2.8
221.04454	3.4
221.08044	2.8
221.13216	5.6
221.15527	4.4
221.18980	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03946	1.5
55.01852	2.4
55.05507	16.9
56.64260	1.0
57.07060	4.8
65.03916	1.4
65.53067	1.0
67.05501	25.1
69.03409	7.2
69.07063	15.8
71.04979	4.9
71.08620	1.7
73.04737	2.4
78.35545	1.1
79.05488	12.9
81.07045	51.4
83.04967	3.4
83.08606	24.2
85.02869	1.4
85.06540	3.0
91.05462	7.4
91.05877	3.4
93.07034	28.5
94.34907	1.1
95.04939	3.2
95.08596	100.0
97.06522	6.2
97.10133	6.7
98.21550	2.2
99.08095	1.7
103.05463	2.3
105.07021	24.3
107.08587	35.2
109.02885	1.3
109.06521	3.7
109.10149	54.0
111.08067	10.4
111.11707	2.3
113.09646	3.1
119.08565	21.8
121.06474	2.3
121.10128	22.4
123.08035	4.0
123.11689	16.0
125.09633	5.4
127.11190	8.1
131.08569	1.9
133.10120	17.2
135.08023	1.7
135.11708	8.3
137.09607	2.7
137.13239	7.2
139.11162	4.5
147.04391	2.4
147.08005	2.8
147.11667	31.7
149.13223	3.3
151.07568	1.2
151.11169	2.7
161.09645	1.3
161.13249	13.4
163.07571	1.9
163.14832	17.0
165.09120	4.7
165.12682	2.8
175.11417	1.1
175.14864	7.5
177.16429	2.1
203.17926	60.7
206.10927	3.8
206.16251	3.7
221.04393	2.4
221.08049	4.2
221.11526	1.8
221.13274	4.3
221.15385	7.5
221.18996	66.8
239.09494	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.39612	2.8
54.46812	2.3
55.01847	2.5
55.05505	29.7
57.07059	9.4
58.13144	2.1
59.04993	2.7
65.03918	3.8
66.19775	2.1
67.05493	41.1
69.03419	2.7
69.06685	2.7
69.07056	41.0
70.32060	11.4
71.04961	7.9
79.05475	23.2
81.07046	87.9
83.04966	47.3
83.08598	15.9
85.06538	6.2
85.10148	2.9
87.78098	2.4
91.05456	15.6
93.07032	38.7
95.04961	6.8
95.08593	75.0
97.06502	4.0
97.10150	10.3
99.08053	5.6
103.05434	3.3
105.07020	47.1
107.08577	63.6
109.06502	10.7
109.10144	84.6
111.08073	7.4
111.11726	5.7
115.05399	2.5
119.08565	42.0
121.06505	3.1
121.10122	35.9
122.10412	2.6
123.08042	6.5
123.11697	26.0
125.09590	13.9
131.08521	2.3
133.10107	26.4
135.08000	3.4
135.11650	9.1
137.09576	5.6
137.13226	3.9
139.11214	5.7
142.10213	2.4
143.08655	2.3
145.10123	2.6
147.08011	3.2
147.11664	45.0
148.54948	2.5
149.13239	6.8
151.07568	3.0
151.11150	8.1
160.12444	2.2
161.09598	3.2
161.13248	24.5
163.07481	5.2
163.14799	18.7
165.12775	11.7
175.11125	2.6
175.14767	15.8
177.16373	9.7
191.06987	4.9
191.08597	5.5
203.17915	100.0
206.10869	6.6
206.16190	5.3
221.04385	3.7
221.08003	6.7
221.13174	10.0
221.15309	7.7
221.18991	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.01847	2.3
55.05502	20.4
57.07058	6.6
65.03903	2.3
67.05495	18.2
69.03415	1.9
69.07060	32.0
70.34309	5.0
71.04964	6.6
73.06545	2.1
79.05485	16.8
81.07046	100.0
83.04971	2.1
83.08594	10.6
85.06522	3.0
91.05456	13.6
93.07034	30.2
95.04949	3.4
95.08595	56.5
97.06517	4.8
97.10137	5.8
99.08060	4.1
101.71304	1.6
105.07013	38.7
107.08576	41.3
109.06475	3.4
109.10143	35.0
111.08083	6.0
111.11714	12.0
117.07062	3.1
119.08570	46.6
121.10134	29.3
123.08040	4.8
123.10773	2.6
123.11684	44.9
125.09632	3.6
131.08528	2.5
133.10120	26.6
135.08075	2.2
135.11678	22.5
137.09618	2.3
137.13232	4.4
143.08498	1.9
145.10094	5.0
147.10562	3.2
147.11668	44.1
149.13217	10.9
151.11206	2.9
161.13255	20.6
163.07498	3.7
163.11160	2.2
163.14827	17.0
165.12706	3.1
175.14787	7.9
177.16338	6.4
179.14230	1.8
191.08401	2.2
191.18028	2.9
203.14261	3.3
203.17937	58.1
206.10928	5.4
206.16254	4.1
221.07881	2.0
221.13354	2.7
221.15666	8.9
221.19019	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03933	1.8
55.01870	1.7
55.05502	6.7
56.96548	1.6
57.07073	6.7
59.04988	3.9
67.05499	14.0
69.07063	14.2
71.04984	15.5
71.74849	2.2
79.05482	14.8
81.07045	31.0
83.04944	1.5
83.08602	6.8
85.06521	3.7
87.27679	1.4
91.05475	12.7
93.07036	20.7
95.04953	2.2
95.08600	47.1
95.75050	1.3
97.06508	3.1
97.10150	2.5
98.03599	1.1
103.05448	5.9
105.07014	43.3
107.04939	4.7
107.08579	57.4
108.08867	1.5
109.06530	2.8
109.10146	30.2
111.08034	3.5
113.09611	1.6
115.05391	1.8
118.04171	1.7
119.04892	1.6
119.08564	31.6
121.06498	2.1
121.10134	28.7
123.04437	1.6
123.08087	2.8
123.11707	9.0
125.09631	3.5
129.18710	1.3
131.04907	3.2
131.08589	1.6
133.06500	3.2
133.10110	28.1
135.08049	5.9
135.11652	10.1
137.05917	2.0
137.09663	2.1
137.13255	4.6
143.08492	1.3
145.06517	2.4
145.10114	3.9
147.04384	1.9
147.08052	3.0
147.11668	52.6
148.05185	1.9
148.12102	1.4
149.13263	2.0
151.07501	1.6
151.11128	3.1
151.14780	3.3
161.05882	1.9
161.09598	3.5
161.13246	30.8
163.07538	14.8
163.11192	1.6
163.14803	35.9
165.12766	3.5
175.07571	1.9
175.14804	8.8
177.16371	12.3
179.14319	2.2
190.09842	2.6
191.06973	13.0
191.08533	2.5
203.10561	1.4
203.17924	100.0
206.10910	5.5
206.16254	4.2
221.04347	2.4
221.07985	7.0
221.11441	2.5
221.13237	7.5
221.15552	7.3
221.19003	47.9
232.76971	1.3
238.65863	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.98705	0.7
53.03902	0.9
54.85137	0.6
55.05452	5.8
55.81346	0.6
57.07014	2.5
57.07263	0.7
59.04950	0.9
64.71733	0.6
67.05495	10.4
69.07059	9.5
69.91837	1.8
69.92249	2.0
71.04984	16.7
73.66585	0.6
79.05485	10.6
81.07048	25.5
83.08620	4.8
85.06486	2.7
91.05457	8.4
93.07034	19.0
95.04913	1.1
95.08598	50.6
97.06464	1.2
97.10108	2.5
98.76161	0.6
105.07022	23.9
107.04961	0.8
107.08581	50.4
109.06470	1.3
109.10141	25.5
110.10482	0.8
111.08084	0.8
115.01183	0.6
118.80527	0.6
119.05978	0.9
119.07741	1.2
119.08559	21.5
121.06465	0.8
121.09260	1.0
121.10126	19.3
123.08031	0.9
123.11692	5.4
125.09578	2.5
129.07030	0.7
131.08542	0.9
133.10114	21.6
135.08003	0.9
135.11673	6.7
137.09560	1.6
137.13213	2.6
139.11191	0.7
145.10106	1.6
147.04369	0.8
147.11668	38.9
149.13210	1.5
151.11154	1.4
151.14754	1.4
159.11659	1.5
161.13245	14.2
163.07494	1.1
163.14801	20.7
165.12680	1.9
175.07550	0.7
175.14757	6.9
177.16393	8.4
179.14320	0.7
201.16498	0.8
203.17932	100.0
204.18279	2.6
206.10828	1.0
206.16180	1.0
221.04326	0.8
221.08025	1.6
221.11572	0.9
221.15730	3.3
221.18990	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03931	2.8
55.01852	2.4
55.05501	21.5
56.96548	2.4
57.07062	9.7
65.03930	2.1
67.05495	40.4
69.03426	4.8
69.07059	38.1
69.70150	1.9
69.70581	4.2
69.71000	9.2
70.23598	1.7
71.04983	20.9
71.08601	2.1
76.09563	1.7
79.05476	31.9
81.03399	3.0
81.07043	91.1
83.04979	4.3
83.08613	17.2
85.06534	27.8
89.43438	2.2
91.05452	28.9
93.07029	55.9
95.04961	5.6
95.08590	90.0
97.06524	8.1
97.10172	5.5
98.97569	3.2
99.08085	5.2
103.05452	2.5
105.07012	61.6
106.07341	2.3
107.04939	5.1
107.08577	100.0
108.08949	2.1
109.06505	8.4
109.10137	76.2
111.08073	12.7
113.09628	6.1
115.05428	3.5
116.98639	3.8
117.07034	2.5
119.08564	74.2
121.06496	8.5
121.10127	56.4
122.10449	2.1
123.04352	1.9
123.08064	8.4
123.11678	29.9
124.67269	1.8
125.09624	6.3
127.11160	4.3
129.06996	1.9
131.04945	2.1
131.08572	4.9
133.06474	3.7
133.10110	51.4
134.99657	2.1
135.08070	5.8
135.11662	76.8
137.05969	4.5
137.09541	8.5
137.13246	5.9
139.11188	3.5
145.06441	2.8
145.10106	5.3
147.04320	2.5
147.08089	4.4
147.11659	49.7
149.02379	2.5
149.13216	11.0
151.11197	6.8
157.10132	2.7
159.11722	3.4
161.05890	2.2
161.09648	5.0
161.13237	31.7
163.07582	3.5
163.11153	3.1
163.14803	17.4
165.09187	3.3
165.12755	5.2
175.07518	3.6
175.11247	3.5
175.14809	14.7
177.16353	25.8
178.07779	2.0
179.03304	2.1
179.10664	3.2
179.14388	2.1
191.07065	3.3
193.15929	5.0
203.06943	2.9
203.10803	2.1
203.14316	6.1
203.17921	56.3
206.16255	3.9
221.04376	3.8
221.08015	6.3
221.11714	8.2
221.15527	21.1
221.19003	79.3
222.19385	2.6
232.75485	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05504	28.9
57.07062	5.8
60.40244	3.0
64.89303	2.7
67.05494	23.5
69.07066	25.7
69.57541	30.8
75.00024	3.4
79.05463	14.6
81.07046	60.4
83.04966	6.0
83.08601	9.3
85.06519	5.8
91.05466	13.2
93.07028	30.7
95.08591	63.5
95.81791	3.9
104.10720	6.1
105.07018	33.3
107.08572	41.3
109.06535	5.5
109.10149	36.9
111.08041	5.7
117.06922	3.7
119.08587	31.7
121.10133	43.6
122.69209	3.4
123.08067	4.7
123.11683	100.0
125.09629	4.3
131.08438	4.6
133.10107	33.7
135.11687	9.8
137.09557	7.0
137.13179	5.0
147.11658	28.0
149.13232	7.9
151.11148	4.4
161.13246	20.0
163.14757	20.8
165.12740	6.1
174.29482	3.2
175.14703	7.3
177.16425	5.3
203.17912	47.7
206.16139	5.4
221.04419	8.8
221.07809	5.1
221.13426	4.5
221.15347	10.2
221.19008	60.8
242.17583	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00294	1.8
53.03932	2.8
55.01867	2.6
55.05500	23.2
57.03423	2.9
57.07063	6.9
59.04999	3.9
62.66052	1.7
67.05180	2.5
67.05497	29.4
69.03413	3.4
69.07060	21.0
71.04980	29.7
71.06477	3.8
79.05490	29.8
81.07045	81.4
83.04974	2.8
83.08617	11.0
85.02888	2.4
85.06536	6.9
91.05450	20.8
93.07036	57.3
95.04970	9.3
95.08595	80.1
97.06541	7.2
99.04481	3.0
99.08078	3.7
103.05475	3.4
105.07015	59.4
107.04938	4.5
107.08578	100.0
109.06512	8.8
109.10142	46.9
111.08077	6.1
111.11710	3.4
113.09633	2.4
115.05438	3.5
117.07001	4.4
119.08571	64.9
120.08836	2.2
121.06525	9.8
121.10137	32.0
123.04420	2.2
123.08073	6.9
123.11678	17.7
125.06031	1.9
125.09602	4.1
125.12335	1.8
127.11187	5.1
129.06992	2.5
131.05037	2.2
131.08566	5.5
133.06535	4.5
133.10110	42.4
135.08061	15.6
135.11679	71.0
137.05997	6.6
137.09634	10.6
137.13225	4.9
142.07755	2.3
143.08553	3.9
145.10114	6.6
147.08052	4.0
147.11655	57.6
149.09587	2.8
149.13257	13.3
151.11211	7.3
153.09117	2.3
154.05373	1.8
159.11668	4.3
161.05943	2.7
161.09636	7.9
161.13268	27.5
161.26939	1.8
163.07448	2.4
163.11194	2.9
163.14803	23.0
165.09122	4.8
165.12680	4.6
175.07527	5.1
175.11186	6.9
175.14810	12.2
177.12749	5.4
177.16333	10.3
179.14323	2.5
185.13300	2.1
191.06970	3.6
193.15977	3.2
203.10736	3.8
203.14340	6.0
203.17932	99.0
205.14844	2.8
206.16229	7.3
221.04428	7.9
221.08076	6.4
221.11588	11.5
221.15434	26.0
221.19011	75.5
221.21175	4.1
222.07359	1.9
222.19385	2.2
222.88780	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65697	0.2
55.01851	0.2
55.61033	0.1
56.46116	0.2
57.03416	0.2
57.07058	0.2
57.54458	0.1
58.06587	0.6
60.08156	4.5
64.38017	0.2
67.05499	0.4
67.22539	0.1
67.25472	0.1
67.25842	0.2
69.07013	0.2
69.49976	0.3
69.50379	1.3
71.07364	0.2
73.02906	0.2
78.11471	0.1
81.03412	0.2
81.07043	0.3
85.02899	0.3
86.09697	1.7
93.48400	0.2
94.93005	0.4
95.08617	0.3
95.55431	0.2
97.02801	0.2
104.10731	100.0
105.11066	0.6
109.02869	0.2
109.10151	0.2
111.08064	0.4
119.01871	0.2
121.06474	0.3
133.03447	0.2
133.10164	0.2
149.04803	0.2
155.01927	0.2
156.97502	0.2
162.94612	0.7
173.02922	0.2
174.98552	0.4
175.14812	0.2
185.02898	0.2
193.16013	0.2
198.98492	0.2
206.16057	0.2
216.99625	0.2
221.04776	0.3
221.15347	0.3
221.18344	0.3
222.01917	4.7
239.03841	0.2
239.06189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	Oblongolide
Peak:m/z	Relative Intensity
55.01847	1.3
55.05504	5.0
56.96548	0.9
57.07059	3.4
59.04998	1.3
65.03870	0.9
67.05499	5.5
69.03420	2.0
69.07057	11.1
69.28445	0.7
70.06586	0.7
70.26841	2.4
70.27258	1.8
79.05486	4.3
81.07050	11.8
83.04981	1.6
83.08614	4.7
85.02903	6.6
85.06549	1.3
91.05453	5.7
91.53214	0.7
93.07039	8.0
95.04947	3.3
95.08603	11.4
97.02838	0.8
97.06526	1.1
103.05476	1.5
105.07014	12.5
107.04920	1.1
107.08582	9.0
109.06484	6.7
109.10159	7.9
110.22563	0.8
111.01926	0.7
111.04420	0.9
111.08053	3.1
115.05431	0.9
117.06983	2.6
119.08573	18.8
121.06489	2.7
121.09330	1.5
121.10136	11.6
123.08069	9.5
123.11686	4.1
125.05985	1.8
125.09624	1.0
126.22913	0.9
129.07004	1.9
131.08540	1.5
133.06439	2.4
133.10121	23.3
135.08037	2.9
135.11647	4.4
137.05934	2.3
137.09602	3.5
137.13203	3.2
139.07512	0.9
139.11145	0.9
143.08566	2.2
145.06393	1.0
145.10129	5.1
147.04370	1.2
147.08035	2.8
147.11690	4.6
151.07532	19.1
151.11172	1.6
153.09106	1.8
157.10071	2.1
159.11670	3.0
161.09602	2.3
161.13246	35.8
162.13597	0.9
163.07491	2.6
163.11136	3.8
165.05385	1.3
165.09108	5.8
175.11136	1.5
175.14822	5.0
179.10583	0.9
179.14307	4.8
185.13194	2.6
191.07024	1.8
191.08568	1.7
191.85925	0.8
193.15903	2.0
203.14194	4.5
203.17984	6.5
206.10875	3.1
206.16191	3.2
221.04443	3.1
221.07957	2.3
221.15341	100.0
221.18539	5.8
222.07469	1.1
222.15642	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
52.14348	1.9
53.03931	2.7
55.01867	5.0
55.05509	16.0
56.96543	4.2
57.03425	2.4
57.07057	7.3
59.04991	3.3
59.33881	2.1
65.03937	3.2
66.42894	2.0
67.05501	22.6
69.03410	3.0
69.07062	22.0
71.04997	13.8
71.35627	5.9
75.98860	2.1
79.05486	34.9
79.34354	2.0
81.07053	38.8
83.04978	3.5
83.08594	5.2
84.04486	2.7
85.06536	4.1
91.05470	68.4
93.07038	49.4
95.04974	8.1
95.08603	26.1
97.06496	2.5
97.10163	2.5
99.04436	4.1
103.05467	5.8
104.06221	3.9
105.07022	100.0
107.04941	3.6
107.08585	34.7
109.02874	3.4
109.06513	10.8
109.10139	16.4
111.08057	5.6
115.05439	4.4
117.07001	15.0
119.08576	89.7
120.08907	4.0
121.06497	9.3
121.10126	17.7
123.04395	2.3
123.08069	9.8
123.11690	8.1
128.06215	3.7
129.07004	10.0
131.08575	8.7
132.05693	2.8
133.06465	7.2
133.10124	35.8
135.08034	7.7
135.11665	12.2
137.05983	4.1
137.09607	6.9
143.08539	8.4
145.10098	6.5
147.08017	25.2
147.11716	17.7
149.13324	2.5
151.07520	4.6
153.09116	5.6
157.06407	2.6
157.10143	7.3
159.11713	15.8
160.05228	2.5
161.05951	4.0
161.09630	18.6
161.11880	4.8
161.13254	96.0
163.03882	3.2
163.07494	6.1
163.11221	3.1
165.09171	14.3
175.07513	8.2
175.11238	12.1
175.14806	15.9
177.12888	2.1
179.10664	8.7
185.13226	19.3
191.07040	4.5
193.12213	2.4
203.03415	2.5
203.14304	37.8
203.17928	13.3
206.05722	2.5
206.10970	4.8
206.16238	11.3
221.04430	4.9
221.07974	13.7
221.11725	5.9
221.13362	3.3
221.15356	48.6
221.18915	13.4
222.07394	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
54.41388	0.9
55.01865	1.6
55.05499	3.8
56.05026	0.8
56.96559	4.1
57.03432	1.2
57.07064	4.8
58.88889	0.7
60.04523	1.2
61.02917	1.0
61.85072	0.7
65.03918	1.0
67.05493	3.9
69.03413	3.1
69.07072	3.7
70.06598	3.7
70.26439	3.0
72.08144	2.3
73.02921	1.5
74.02439	3.6
79.05484	2.1
81.03396	1.5
81.07049	5.5
82.02931	1.7
83.04976	1.0
83.08604	2.4
84.04498	2.0
84.08144	5.3
85.02882	2.4
86.09706	2.2
88.03943	1.0
91.05467	3.4
93.07027	3.2
94.06567	4.1
95.04957	1.5
95.08594	3.3
96.08917	0.8
97.02887	2.6
98.97570	3.1
102.96912	1.3
103.05452	1.3
105.07031	4.1
107.04919	0.9
107.08579	3.1
109.06496	1.3
109.10144	4.4
110.07133	1.9
111.08050	6.2
115.05445	1.6
116.98589	3.3
119.01858	2.0
119.04915	1.4
119.08546	4.3
120.08088	1.6
121.06512	6.8
121.10117	1.8
123.04388	0.8
123.08051	1.8
123.11691	2.2
127.03902	1.2
129.10225	0.9
130.06516	69.9
131.04901	2.2
131.06871	1.1
132.04439	44.6
133.04840	0.9
133.06581	0.8
133.07661	0.9
133.10129	3.7
134.06018	0.8
134.99637	1.0
135.08061	2.1
135.11720	1.2
136.07664	1.0
137.05949	3.5
137.09624	3.9
141.05347	0.8
146.99619	1.0
147.04407	2.6
147.09140	1.3
147.11641	2.1
148.07559	3.3
149.02290	1.0
151.07565	1.1
151.11119	1.2
153.09116	3.1
155.04648	2.0
155.54787	1.7
156.07784	0.9
156.97482	5.3
157.07608	34.6
157.10501	1.7
158.06003	85.0
159.06406	1.3
161.05910	1.3
161.09599	1.2
161.13243	1.1
162.02988	0.8
164.55429	1.3
165.09163	1.9
174.98506	8.6
175.08659	100.0
175.11809	2.1
175.14688	4.0
176.07043	2.2
176.09094	1.6
177.00624	0.9
178.96480	0.8
179.10619	1.0
179.99095	1.0
185.09990	2.1
186.05489	2.4
193.06979	0.9
193.15889	4.5
198.00221	1.0
198.98495	1.0
203.08179	11.1
203.10767	1.2
203.14331	1.9
204.06543	3.9
204.08281	1.0
205.14928	1.1
206.16245	3.2
216.01376	1.2
216.99565	4.7
221.04523	2.5
221.09311	17.5
221.11778	2.8
221.15143	4.7
221.18210	3.1
222.11279	2.0
239.09569	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.01864	0.8
55.05483	0.8
57.07059	1.3
67.05481	1.3
69.07055	0.6
71.34863	1.1
74.02411	0.7
81.07032	1.5
82.02936	1.7
83.08615	0.9
91.05466	1.8
93.07027	0.7
94.06561	4.8
95.08582	0.8
97.27457	0.6
98.40157	0.7
103.05468	0.7
105.06992	0.8
106.06506	0.8
107.08617	0.8
109.10137	1.7
111.08082	1.9
115.05458	1.6
119.08582	0.8
121.06488	2.3
123.11648	0.8
128.91171	0.8
130.06511	56.4
131.06842	1.3
132.04437	36.0
133.10098	1.3
134.05991	4.4
135.11618	0.8
137.05948	1.0
139.66620	0.6
144.40196	0.6
146.06013	2.1
147.06339	1.2
147.08072	0.9
147.09155	1.0
147.11641	1.0
148.07536	2.8
148.28497	0.6
153.09134	0.7
157.07607	23.5
158.06001	79.6
159.06590	0.9
160.07581	2.9
160.26154	0.8
162.05475	10.2
175.08656	100.0
175.14761	1.8
176.07095	1.6
176.08963	1.7
186.05469	5.7
193.15840	1.0
203.08153	1.5
204.06522	12.4
206.16226	1.0
221.09224	18.2
221.15311	1.7
221.18031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01862	1.7
55.05501	2.7
57.07069	1.6
63.54855	0.6
66.04733	0.7
67.05504	3.2
68.99770	2.9
69.07061	2.4
69.53020	6.2
71.04984	2.3
74.54626	0.7
78.04723	0.9
79.05488	10.3
81.07048	10.4
83.05013	0.8
83.08606	0.8
90.04699	3.1
91.05463	9.2
93.07050	6.9
95.04948	4.7
95.08607	6.3
102.04678	3.0
103.05457	36.9
104.06242	1.0
104.33331	0.7
104.62606	0.6
105.03382	3.3
105.07021	21.9
107.04942	30.4
107.08580	9.6
109.06496	1.2
109.10142	4.2
115.05440	6.0
117.06989	3.7
118.04160	5.2
119.04961	3.1
119.08577	7.2
120.05741	4.7
121.06499	1.2
121.10158	2.7
123.04395	2.4
123.08058	1.0
123.11693	2.6
130.04126	7.5
131.04919	25.1
132.05721	7.1
133.02867	3.8
133.06491	8.2
133.10109	4.4
135.04364	2.0
135.08043	24.5
135.11665	11.3
137.09607	1.3
145.02844	0.9
145.06474	9.6
146.03618	5.2
147.04395	5.8
147.11656	4.3
148.05174	21.9
151.07498	1.2
151.11192	1.4
159.04417	2.0
161.05966	3.3
161.13260	2.6
162.06750	1.1
163.07529	94.9
164.07907	2.2
173.05971	1.7
176.04698	3.8
183.98067	0.7
190.06233	2.1
191.07014	100.0
192.07382	2.8
203.17918	5.6
206.05766	1.4
206.16238	0.7
221.08052	19.6
221.11441	1.1
221.13480	0.9
221.15382	2.2
221.19008	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01860	1.6
55.05497	3.1
56.96546	1.5
57.07070	1.8
58.94252	1.0
66.22123	1.0
67.05499	5.8
68.99771	2.3
69.03426	2.1
69.07047	4.3
70.65054	3.1
71.04998	2.1
79.05476	13.2
81.07046	10.2
83.04983	2.0
83.08604	2.2
85.02907	1.1
85.06543	1.4
90.04697	2.8
91.05460	12.1
93.07035	8.5
93.59681	1.0
95.04977	4.4
95.08587	10.3
97.06564	1.6
99.04430	1.7
102.04663	1.9
103.05453	39.2
105.03376	3.1
105.07019	26.2
107.04939	29.2
107.08578	9.4
109.06492	4.1
109.10143	4.4
111.03268	1.0
111.08059	2.3
115.05442	8.8
117.06951	2.6
118.04137	6.2
119.04952	3.4
119.08554	8.9
120.05695	4.3
121.06511	3.0
121.10108	5.1
122.10462	1.2
123.04452	4.8
123.08070	3.5
123.11700	1.8
130.04140	6.3
131.04915	27.6
132.05698	6.7
133.02853	3.3
133.06482	10.8
133.10117	6.8
135.04344	1.1
135.08043	24.3
135.11662	1.3
137.05978	3.1
137.09624	1.5
145.02765	1.3
145.06470	7.9
146.03612	5.2
147.04463	5.9
147.08025	2.3
147.11684	4.3
148.05167	24.5
149.13376	1.1
151.07463	1.7
157.57123	1.1
159.04350	1.5
159.11617	1.4
161.05969	4.2
161.09631	2.7
161.13249	4.9
162.06769	2.8
163.07521	95.8
164.02165	1.2
164.07803	1.2
165.05473	1.2
165.09164	2.3
173.05946	1.4
175.07448	1.5
175.11244	1.4
175.14803	2.8
176.04675	3.4
185.13200	1.7
190.06175	1.1
191.07007	100.0
192.07359	2.4
203.06955	1.1
203.14297	2.8
203.17928	7.8
206.05670	2.2
206.10902	2.3
206.16176	2.8
221.04504	2.5
221.08070	22.7
221.11583	2.6
221.13271	2.5
221.15227	10.1
221.18976	5.3
222.08336	1.2
222.11275	1.9
241.98170	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01862	1.7
55.05501	2.7
57.07069	1.6
63.54855	0.6
66.04733	0.7
67.05504	3.2
68.99770	2.9
69.07061	2.4
69.53020	6.2
71.04984	2.3
74.54626	0.7
78.04723	0.9
79.05488	10.3
81.07048	10.4
83.05013	0.8
83.08606	0.8
90.04699	3.1
91.05463	9.2
93.07050	6.9
95.04948	4.7
95.08607	6.3
102.04678	3.0
103.05457	36.9
104.06242	1.0
104.33331	0.7
104.62606	0.6
105.03382	3.3
105.07021	21.9
107.04942	30.4
107.08580	9.6
109.06496	1.2
109.10142	4.2
115.05440	6.0
117.06989	3.7
118.04160	5.2
119.04961	3.1
119.08577	7.2
120.05741	4.7
121.06499	1.2
121.10158	2.7
123.04395	2.4
123.08058	1.0
123.11693	2.6
130.04126	7.5
131.04919	25.1
132.05721	7.1
133.02867	3.8
133.06491	8.2
133.10109	4.4
135.04364	2.0
135.08043	24.5
135.11665	11.3
137.09607	1.3
145.02844	0.9
145.06474	9.6
146.03618	5.2
147.04395	5.8
147.11656	4.3
148.05174	21.9
151.07498	1.2
151.11192	1.4
159.04417	2.0
161.05966	3.3
161.13260	2.6
162.06750	1.1
163.07529	94.9
164.07907	2.2
173.05971	1.7
176.04698	3.8
183.98067	0.7
190.06233	2.1
191.07014	100.0
192.07382	2.8
203.17918	5.6
206.05766	1.4
206.16238	0.7
221.08052	19.6
221.11441	1.1
221.13480	0.9
221.15382	2.2
221.19008	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01871	1.5
55.05505	2.1
57.03445	0.7
57.07071	0.8
58.20849	0.5
61.99079	0.5
62.29816	0.4
66.04708	0.7
67.05489	3.8
68.99783	2.2
69.03413	0.7
69.07066	1.8
69.69791	3.9
71.04993	0.9
77.03906	0.9
78.04696	0.5
79.05486	10.0
79.05914	0.7
80.77126	0.5
81.03430	0.6
81.07053	5.6
83.04970	1.0
83.08604	1.5
85.02912	0.6
85.06539	0.7
85.49870	0.6
88.20756	0.5
88.40085	0.5
89.03912	0.6
90.04684	3.0
91.05468	9.0
92.06264	1.2
93.07029	4.2
93.11331	0.5
95.04935	4.4
95.08598	8.1
95.92390	0.5
97.06551	0.7
97.10167	0.9
98.21387	0.9
102.04696	2.1
103.05458	38.0
105.03382	3.3
105.04512	0.9
105.07024	22.2
106.07329	0.5
107.04942	30.2
107.08590	5.1
109.06491	1.1
109.10155	4.0
111.08053	1.2
115.05439	6.8
117.06999	3.5
118.04158	6.2
119.04934	3.6
119.08588	5.4
119.57655	0.5
120.05723	4.6
121.06498	2.9
121.10131	3.3
121.46860	0.5
123.04428	2.0
123.11678	1.4
125.09615	0.7
128.06229	0.5
129.06981	0.7
130.04135	8.8
131.04918	23.0
132.05710	7.0
133.02847	3.7
133.06470	8.9
133.10104	4.4
134.03639	1.0
135.04434	1.0
135.08040	21.8
135.11682	1.8
137.09665	1.1
145.02783	1.4
145.06476	8.7
146.03622	5.2
147.04388	5.6
147.08049	0.9
147.11662	3.6
148.05183	22.3
149.05917	0.9
151.07500	0.8
151.11186	0.9
159.04367	1.0
159.11731	0.7
160.05162	0.5
161.05988	2.5
161.09590	1.4
161.13268	3.2
162.06744	2.0
163.07527	100.0
163.14833	1.3
164.07910	1.2
165.05545	0.7
165.06871	0.7
165.09142	0.8
165.12766	0.6
173.05983	1.9
175.07590	0.5
175.11121	0.8
175.14845	1.4
176.04681	3.1
177.16368	1.4
179.07065	0.5
190.06223	2.1
191.07014	99.4
192.07368	2.0
203.14319	1.2
203.17928	6.9
206.05701	1.6
206.16159	0.7
221.04498	1.3
221.08055	21.2
221.11543	1.1
221.15373	3.4
221.18988	4.4
222.08075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.5
51.24855	0.5
53.03932	1.4
55.01854	1.4
59.40430	0.4
60.24623	0.6
61.88536	0.5
65.03926	0.6
66.04696	0.6
67.05474	1.8
68.99786	2.9
70.18412	1.9
77.03923	1.0
78.04678	0.8
79.05028	0.5
79.05480	8.8
81.03391	0.7
81.07021	1.8
85.02886	1.0
87.97715	0.4
90.04674	2.8
91.05473	7.0
92.06238	0.8
93.07033	2.5
95.04961	3.5
95.08599	3.2
102.04662	2.5
103.05456	38.2
105.03368	3.1
105.04484	0.8
105.06323	1.0
105.07019	18.5
106.04214	0.5
107.04943	31.5
107.08603	2.4
109.06509	0.6
109.10157	1.2
115.05444	6.6
117.06995	3.3
118.04156	6.0
119.04935	3.8
119.08548	1.4
120.05725	5.1
121.06465	1.3
121.10120	1.0
123.04421	3.1
123.27610	0.5
123.83854	0.5
130.04138	7.4
131.04912	25.3
132.05701	8.5
133.02856	3.6
133.06473	9.4
133.10103	1.3
134.06787	0.5
135.04376	2.0
135.08034	20.6
145.02831	1.0
145.06476	8.9
146.03607	4.8
147.04398	5.3
147.07947	0.5
147.11688	1.1
148.05170	26.9
149.05833	1.0
151.07510	0.9
159.04382	1.7
160.05214	0.8
161.05957	3.2
161.07086	0.8
161.13231	1.3
162.06732	1.6
163.07518	100.0
164.07886	2.4
173.05939	2.0
173.07224	0.9
176.04680	5.5
185.13107	0.5
190.06229	1.9
191.07008	99.9
192.07359	2.4
203.17845	1.1
206.05629	1.1
221.04591	1.0
221.08066	17.7
221.11377	0.8
221.15410	1.2
221.18951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1694
Annotation	Fabianine
Peak:m/z	Relative Intensity
55.05518	0.1
62.83681	0.1
69.62170	0.9
84.04474	0.2
91.05506	0.1
97.45735	0.1
105.07070	0.2
106.06564	0.2
117.05733	0.1
118.06529	10.2
119.07254	0.2
119.08598	0.1
120.08131	0.3
130.06487	0.1
132.08073	2.8
132.09052	0.2
133.08856	1.3
134.09622	0.7
144.08072	0.4
146.09631	3.0
147.10384	0.4
148.11159	0.2
148.28592	0.1
158.09706	0.1
160.11177	0.6
161.11996	0.2
162.09126	6.3
172.11278	0.1
174.12730	0.1
176.10756	3.6
176.14328	28.3
177.11475	1.2
177.12903	0.2
177.14680	0.7
178.12103	0.2
189.15018	0.2
190.12241	3.0
191.12996	0.3
202.15839	0.9
204.14044	0.2
205.15848	0.4
220.16940	100.0
221.17282	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.9
53.03931	1.9
53.28261	0.8
55.01849	2.5
55.05489	3.5
56.96542	1.3
57.07061	1.6
65.03905	1.0
67.05506	5.2
68.99772	2.7
69.03410	2.2
69.07057	3.1
70.06557	1.4
70.82452	0.8
71.04980	1.5
71.74316	1.3
71.84706	0.7
79.05491	11.9
80.69367	0.9
81.07035	6.4
83.04982	1.4
83.08605	2.5
84.08099	0.9
85.02913	1.4
90.04698	2.1
91.05457	11.0
92.06230	1.3
93.03430	0.9
93.07037	6.9
95.04979	6.0
95.08602	6.3
97.02882	1.4
97.06510	1.1
98.97535	1.6
101.66354	0.8
102.04657	2.4
103.05457	34.3
104.06285	1.1
105.03362	3.2
105.07022	22.2
107.04946	28.6
107.08582	5.5
108.05221	0.9
109.06493	2.9
109.10154	5.8
111.08072	3.8
115.05425	7.0
116.98589	1.4
117.07047	4.7
118.04163	5.7
119.04952	7.1
119.08581	6.8
120.05730	5.2
121.06485	5.0
121.10120	3.1
123.04400	3.1
123.08047	1.9
130.04115	7.9
131.04916	28.1
131.08543	2.0
132.05742	6.5
133.02831	3.2
133.06497	9.4
133.10072	4.2
135.04390	1.7
135.08037	23.4
135.11659	1.9
137.05933	3.1
137.09579	2.5
143.08533	1.0
145.02747	1.0
145.06459	7.3
145.10117	1.2
146.03572	4.4
147.04416	7.8
147.07979	1.6
147.11650	2.1
148.05185	25.2
148.07585	0.9
149.02258	1.7
149.05988	1.2
151.07535	2.2
151.11194	1.1
153.09055	1.6
157.10115	0.8
159.11607	0.9
161.05945	5.3
161.09602	2.3
161.13243	3.0
162.06717	1.2
163.07527	100.0
164.07916	1.9
165.05437	1.6
165.09100	1.8
173.05861	1.7
175.03819	1.0
175.07475	1.9
175.08774	1.2
175.11197	2.1
175.13214	1.3
175.14832	2.9
176.04636	3.7
179.10675	1.3
185.09644	1.1
185.13321	1.3
189.05441	0.8
190.06229	2.4
191.07014	98.3
192.07391	1.5
193.08421	0.9
193.15880	2.2
203.10583	1.4
203.14357	2.3
203.17876	1.6
206.05658	1.2
206.16161	2.1
213.02510	0.9
221.04384	3.5
221.08069	21.3
221.11708	2.8
221.15398	6.1
221.18312	3.2
243.45175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Hyacinthacine C1
Peak:m/z	Relative Intensity
55.05503	2.6
57.07070	22.5
59.04997	1.4
67.05488	3.2
68.05001	1.8
69.07060	1.8
70.86155	2.0
70.86526	2.2
74.02433	100.0
81.07073	1.3
82.02933	15.2
82.06591	1.3
83.03728	1.2
83.08617	5.0
84.04487	2.9
85.06533	20.1
89.29360	0.8
90.05544	0.9
93.07032	10.8
95.08595	17.4
96.04484	26.1
97.02885	13.8
98.06041	1.8
100.03970	6.6
101.09650	16.5
110.06048	3.1
110.09662	11.4
111.08067	4.5
112.11234	3.3
114.05505	1.3
121.06472	4.3
128.07069	4.9
128.10709	21.1
138.09128	34.9
139.07527	12.9
140.10660	2.4
142.05002	5.4
142.08618	1.1
156.10188	74.5
158.11760	5.3
160.16896	1.0
166.08578	1.2
174.11243	49.2
175.11473	1.4
178.82365	1.0
184.09679	49.5
202.10727	4.4
202.14444	1.1
220.11771	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1329
Annotation	Darlingine
Peak:m/z	Relative Intensity
52.38697	0.5
55.01898	0.4
55.05494	1.1
56.05018	0.8
56.96560	0.6
57.03430	1.0
57.07064	1.6
60.19983	0.4
67.05486	1.3
68.05006	0.5
69.03423	1.2
69.07031	0.9
69.79947	3.3
70.06577	0.6
72.08114	0.5
74.02440	0.6
78.93359	0.5
79.05473	1.4
81.04509	0.7
81.07052	4.4
82.06577	0.8
82.07394	0.8
83.04977	0.6
83.06048	0.6
84.04491	2.5
84.08121	0.6
86.99059	0.5
87.04453	67.9
88.47893	0.5
90.05553	0.6
91.05463	1.4
92.04984	0.5
93.07014	1.2
95.04967	0.7
95.08552	0.7
99.05610	0.5
105.07005	2.2
106.06554	0.6
107.08559	0.9
109.02870	1.2
109.07598	0.6
115.05444	0.8
117.06995	1.3
118.06522	7.4
119.07302	7.4
119.08103	0.6
119.08556	1.3
120.08060	0.6
120.08919	1.1
121.10136	1.2
122.02705	0.7
122.07148	1.0
122.10434	0.9
132.01135	0.8
133.10112	1.2
134.09630	100.0
135.08005	0.9
135.09973	1.9
144.96793	0.5
145.10072	1.1
146.10446	0.9
147.04469	0.6
147.07951	0.5
148.08583	0.6
149.09500	0.5
156.10101	0.6
161.09541	0.7
162.13672	0.6
164.07030	0.9
177.12737	1.1
179.09108	0.5
181.39989	0.5
192.06517	3.0
192.17313	0.6
200.05061	0.6
202.08856	1.0
202.17952	0.7
203.14253	0.7
204.14633	7.8
205.15849	12.3
220.06015	1.9
220.13307	70.3
220.17729	28.6
221.13655	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
55.01842	4.4
55.05510	22.2
56.05013	3.3
56.14820	1.6
56.96307	2.6
56.96559	39.4
57.03428	8.5
57.07069	11.7
58.06580	2.3
60.04507	3.1
61.02901	6.9
67.05487	4.5
68.05009	2.2
69.03415	12.3
69.07042	6.7
69.76933	4.1
69.77346	9.0
70.06577	3.8
71.01325	3.3
71.04970	3.5
72.04487	2.8
72.08133	3.8
73.02922	13.0
73.06548	16.6
74.02430	26.9
76.34339	1.9
79.05472	3.8
81.03393	8.4
81.07033	4.7
82.02911	4.8
83.01329	2.2
84.04494	24.9
84.08128	7.1
84.96014	4.0
85.02893	15.0
85.06522	7.4
87.04450	5.6
90.01519	2.1
90.05558	16.0
91.05463	25.4
92.05820	2.9
93.07033	4.6
93.21509	1.6
94.06580	2.6
95.04949	3.9
95.06070	1.9
95.08589	5.5
96.04459	6.9
97.02881	25.1
97.27910	1.8
98.02393	1.6
98.06004	5.0
98.97571	58.0
99.97913	2.0
100.03923	2.8
101.09644	3.8
104.03032	2.0
105.07011	3.3
106.33865	1.8
107.04944	1.9
109.02879	14.2
110.09660	3.4
110.97542	3.0
111.03839	2.2
116.03418	4.0
116.98603	39.8
118.07301	1.8
119.01825	8.7
119.04921	17.5
119.08559	3.5
120.01975	2.2
120.05164	1.7
120.08874	2.9
120.66469	1.6
121.01580	2.1
121.06480	3.8
121.10109	2.9
122.03589	3.1
122.07117	1.9
122.10437	2.5
126.09126	1.6
127.03943	2.7
128.02269	6.5
128.10674	6.6
128.98586	8.5
129.10262	1.6
130.06516	5.9
131.01814	2.9
132.04440	6.8
133.01486	2.6
133.03423	2.9
134.10423	3.1
134.99643	25.5
136.06119	6.3
136.69315	2.1
137.02739	1.7
137.05966	25.9
138.06215	3.5
138.09114	10.7
139.07509	3.7
140.10727	2.8
142.04962	2.5
143.00197	2.1
144.10144	2.8
145.01555	3.4
145.10104	3.7
146.04118	7.3
146.05933	5.6
146.10452	2.2
146.99622	5.5
147.03258	5.9
147.04369	34.8
148.04668	5.7
149.03015	2.0
153.00708	2.3
153.05482	1.7
154.01939	5.2
155.04636	79.9
155.54797	8.6
156.04723	2.0
156.10182	21.5
157.07526	2.6
158.05954	8.7
158.08192	1.8
158.11749	12.5
158.99605	22.1
161.01204	5.6
161.02837	2.6
161.05821	2.0
162.99136	3.7
163.02629	3.4
164.05162	37.9
164.06807	2.3
164.10600	2.5
164.55319	3.1
165.00638	2.5
165.04318	9.4
166.55400	17.0
172.95253	2.9
173.01224	1.7
173.02811	1.8
174.05602	2.6
174.11278	13.7
175.02576	4.4
175.08701	9.3
175.55942	6.2
177.00691	33.3
177.12683	5.4
179.07024	9.3
184.03015	2.9
184.09689	22.9
187.06488	2.3
189.04222	1.8
189.12408	2.2
192.06496	18.6
195.01759	2.0
200.02342	3.1
202.08904	1.9
202.10728	7.6
203.14366	2.5
204.14619	27.5
205.00171	3.6
205.15863	45.6
208.04953	7.0
215.02066	2.1
217.05469	11.6
217.55598	2.7
218.58397	1.8
219.01749	3.4
219.17384	3.0
220.05951	15.1
220.09720	4.3
220.11789	16.8
220.17769	100.0
223.01233	8.0
228.56268	2.5
229.03369	1.8
235.02756	4.0
237.02811	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
50.31961	0.7
50.65748	0.8
53.03927	0.8
53.97529	0.8
55.05506	6.5
57.03407	1.0
57.07051	2.2
59.04981	2.1
65.03935	0.9
67.05495	8.8
69.03399	1.7
69.07062	31.1
69.80574	5.7
71.04996	4.3
76.48918	0.7
79.05483	5.2
81.07047	13.5
81.93092	0.7
83.04974	1.6
83.08598	5.4
83.09006	0.7
85.06535	2.7
91.05468	7.2
91.31425	0.8
93.07033	14.8
95.04956	3.8
95.08599	22.5
97.06523	2.5
97.10147	1.2
105.07018	18.8
107.08585	21.9
109.06496	4.3
109.10142	24.6
111.08050	2.3
113.09625	1.2
117.07009	3.6
119.08569	21.3
121.06526	1.8
121.10132	18.3
123.08027	2.2
123.11672	5.7
125.09613	2.9
129.06990	0.8
130.07759	1.5
131.08548	6.0
131.89091	0.8
133.06357	0.8
133.10106	9.8
134.29955	0.8
135.08063	4.5
135.10748	1.0
135.11674	12.9
137.09596	12.1
137.13240	1.5
143.08504	1.4
144.09454	1.0
145.10103	19.5
147.11681	5.0
149.09619	10.2
149.13252	3.5
151.11145	1.3
158.10878	1.0
159.11667	11.1
160.12204	0.8
161.13248	10.9
163.11160	17.6
163.14781	1.6
173.13228	4.7
175.14801	7.4
177.09309	0.8
177.12714	2.9
177.16322	1.6
189.12674	1.1
189.16438	1.1
191.17949	9.5
201.16382	14.5
203.14326	3.4
219.17424	100.0
220.17786	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1337
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.01867	0.7
55.05512	1.2
56.96558	0.9
57.07067	1.2
58.18280	0.4
60.04520	100.0
61.04858	0.5
67.05497	1.2
69.03431	0.9
69.07062	1.5
70.02934	0.8
71.46511	0.5
71.46838	0.6
72.08143	0.9
74.02444	3.3
74.06036	0.4
75.04488	0.6
77.16894	0.5
79.05493	1.5
81.07050	1.7
82.02951	0.9
83.04971	0.6
84.04504	1.1
84.08123	1.1
85.02943	0.5
85.06531	1.3
86.09699	68.1
87.04466	1.9
87.05595	4.2
87.10051	0.8
90.05517	0.7
91.05453	1.2
93.07040	1.7
93.41675	0.4
95.08595	1.3
96.04477	0.9
97.02896	0.6
98.06041	1.3
98.97571	1.3
100.71377	0.4
101.09650	0.6
103.03949	0.7
105.07029	1.9
107.08585	1.8
110.09668	0.6
111.04440	1.0
116.98629	1.1
117.07007	0.7
119.08559	3.2
121.06567	0.6
121.10128	3.4
123.08041	0.6
128.10701	3.2
129.06944	0.5
131.03409	0.5
131.08542	1.0
132.10193	46.8
133.10056	2.7
135.11714	0.9
138.09135	1.1
140.10725	1.0
143.08594	0.7
144.10342	0.5
145.10124	1.5
147.05779	0.4
147.11678	1.3
149.09602	0.4
155.11794	0.6
156.10202	2.9
157.10144	0.8
158.11749	3.8
159.02832	0.8
159.08084	0.7
159.11653	0.6
159.79814	0.4
161.09613	1.2
161.13266	2.0
172.09721	0.7
172.95268	0.8
173.02936	0.7
173.09621	0.9
173.12849	25.3
174.11276	1.6
175.14839	1.0
184.09692	1.8
187.11206	0.7
188.11996	0.6
190.96159	0.5
201.12338	4.1
203.12343	0.8
203.14282	16.8
219.10168	0.8
219.13516	7.7
219.17426	45.4
220.11797	1.1
220.17780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.9
55.01859	5.6
55.05486	2.1
59.04980	1.2
59.99885	0.9
61.02919	20.8
67.05494	1.8
69.07062	2.1
70.64088	1.5
71.01342	32.6
75.04466	50.9
79.05475	1.1
81.07041	2.3
83.15839	1.2
87.04458	17.7
89.02369	10.2
93.07029	2.0
95.08555	2.3
98.04195	1.0
101.05974	1.3
103.03925	62.6
105.07015	3.7
107.08572	2.4
119.08558	5.1
120.31789	0.9
121.10157	6.0
125.53331	1.0
131.03383	13.3
131.08556	1.8
133.10121	3.7
143.08482	1.3
145.10118	1.7
147.11633	1.8
156.01808	1.1
159.02864	100.0
159.08075	1.7
161.04457	1.4
161.13232	2.1
173.13210	2.2
175.14738	1.5
187.02347	7.9
187.11195	1.5
188.11940	1.3
203.14282	23.5
219.04922	8.6
219.17409	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1012
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03435	1.1
59.72750	0.9
91.05469	13.6
103.05463	4.0
104.03026	0.9
105.07002	2.0
107.04929	1.1
115.05426	14.6
116.06208	4.0
117.06992	2.9
117.27502	1.0
119.08587	1.5
128.06204	14.1
129.06987	45.4
130.07695	3.5
131.04924	9.7
131.08546	39.6
131.09251	0.6
132.08917	1.4
133.06522	1.1
133.10077	2.6
137.05951	4.8
141.05879	2.3
141.06972	41.0
143.04892	1.3
143.08488	2.2
144.05676	6.3
145.06465	11.4
146.07236	6.6
148.05191	2.5
155.06013	1.3
157.05299	1.9
157.06470	21.5
158.07239	26.3
159.04395	5.3
159.08031	29.8
160.05205	8.1
161.06021	1.1
161.09587	3.4
163.07477	2.2
168.05746	1.5
169.06448	13.5
169.07713	1.6
170.07216	7.8
171.04346	1.6
173.05946	4.6
173.09564	1.4
174.06737	82.2
175.07516	10.9
183.08092	1.2
186.06734	17.8
187.07494	2.4
188.08295	4.5
189.09081	96.7
190.09279	1.7
191.06992	1.9
191.10663	8.3
201.09068	42.6
203.14183	1.6
219.10130	100.0
219.17392	4.7
220.10449	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.9
55.01859	5.6
55.05486	2.1
59.04980	1.2
59.99885	0.9
61.02919	20.8
67.05494	1.8
69.07062	2.1
70.64088	1.5
71.01342	32.6
75.04466	50.9
79.05475	1.1
81.07041	2.3
83.15839	1.2
87.04458	17.7
89.02369	10.2
93.07029	2.0
95.08555	2.3
98.04195	1.0
101.05974	1.3
103.03925	62.6
105.07015	3.7
107.08572	2.4
119.08558	5.1
120.31789	0.9
121.10157	6.0
125.53331	1.0
131.03383	13.3
131.08556	1.8
133.10121	3.7
143.08482	1.3
145.10118	1.7
147.11633	1.8
156.01808	1.1
159.02864	100.0
159.08075	1.7
161.04457	1.4
161.13232	2.1
173.13210	2.2
175.14738	1.5
187.02347	7.9
187.11195	1.5
188.11940	1.3
203.14282	23.5
219.04922	8.6
219.17409	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60585	1.5
55.01863	3.9
55.05497	4.3
56.05033	10.1
56.96561	24.1
57.03435	24.0
58.06579	2.9
58.99853	2.0
59.04987	2.8
60.04501	3.5
60.99607	1.6
61.02922	67.3
62.03245	3.3
67.05486	3.2
69.03411	9.5
69.07055	7.0
70.06583	3.7
70.11522	7.6
70.98111	5.3
71.01331	3.2
71.04975	4.8
72.08147	14.5
73.02914	16.6
74.05672	2.9
74.06074	46.7
75.04471	2.0
77.00879	2.5
79.05473	3.5
81.03429	2.6
81.07050	3.4
82.01409	1.8
82.99838	1.9
83.04956	3.4
84.04491	5.6
84.08134	7.0
84.99248	1.6
85.02898	17.2
85.90894	1.5
86.06051	4.0
86.09702	94.1
87.00850	1.6
87.04453	6.3
87.06373	3.0
88.04790	4.3
88.07621	2.5
88.99157	2.0
89.00870	1.7
91.02415	1.9
91.05450	3.1
92.01286	1.7
93.07037	3.2
95.01304	2.4
95.01898	1.6
95.53226	1.4
97.02905	8.1
97.14902	1.5
98.97575	40.5
99.04429	4.6
100.02477	12.9
101.00855	10.2
101.02355	2.9
102.00923	1.8
102.01531	1.5
103.00615	3.5
103.02415	4.3
105.00357	1.7
105.02097	1.9
105.07028	2.4
105.59725	1.5
107.04961	1.6
107.08575	2.0
109.02905	1.8
110.97576	1.9
111.00219	1.7
111.02932	2.4
113.00803	3.0
113.02359	6.4
115.02406	7.6
116.98604	24.7
117.01842	4.3
117.02905	2.0
117.03973	1.9
118.03467	8.0
118.08647	4.3
119.01902	42.7
119.08572	6.1
120.01971	9.2
121.01667	16.2
121.03461	2.9
121.10129	6.7
123.08018	1.7
126.98772	1.5
127.01524	2.0
127.03894	6.6
128.98599	5.8
129.03946	2.2
130.05037	2.1
131.00145	2.6
131.01880	11.8
131.03423	3.0
131.08534	2.4
132.10188	2.1
133.01614	5.7
133.03438	19.7
133.10120	7.4
134.03540	6.0
134.99663	11.9
135.03207	11.1
137.02940	13.0
139.01521	2.0
139.02631	5.0
140.03149	1.7
140.04979	4.4
142.53036	2.9
142.96500	2.8
143.01869	4.3
144.03418	1.6
144.99841	12.3
145.03444	6.7
145.10130	3.0
145.99893	4.2
146.99593	15.1
147.01251	3.4
147.03178	9.6
147.05006	5.0
149.01164	4.5
149.02834	7.2
151.02647	4.6
151.04539	5.1
152.03340	2.2
152.04549	1.8
155.01941	3.6
155.05600	2.0
156.10234	3.6
157.03444	3.6
157.10544	10.7
158.99667	4.2
159.01295	3.0
159.05045	2.6
161.01132	3.2
161.02875	14.3
161.09479	1.6
161.13228	2.2
163.00883	2.6
163.02695	4.3
163.04472	2.5
165.00665	8.7
165.04272	3.1
166.02907	1.8
167.01935	2.6
167.03818	2.8
167.51913	1.9
168.99820	4.2
169.03426	2.0
170.10756	1.9
171.05042	2.2
172.99300	10.6
173.00903	2.6
173.02954	8.9
173.12904	8.8
174.03079	2.1
174.11232	3.0
174.99213	2.2
175.00943	3.1
175.04539	3.0
175.11620	9.8
177.00691	13.1
177.02420	8.1
177.04305	8.0
177.06078	4.5
178.02501	3.4
179.02179	4.2
179.03860	1.9
185.02985	5.2
186.03076	1.9
187.00862	13.4
187.11079	2.2
188.01054	4.6
189.00650	4.3
189.02419	4.8
191.00528	8.9
191.03777	6.9
191.05763	3.1
192.00531	2.1
193.00154	3.5
193.03810	1.9
195.01877	8.1
195.03590	3.0
195.05444	4.5
196.00961	9.0
196.04306	2.5
197.03098	2.0
199.01035	1.5
201.00763	2.8
201.02460	4.0
201.12624	2.4
203.02264	2.8
203.04106	2.7
203.14316	27.7
205.01959	7.7
205.03719	3.0
206.02090	2.9
207.01732	3.9
207.03510	3.1
213.02547	2.1
214.01953	6.8
214.04947	3.7
215.00392	3.6
216.00592	1.6
217.00005	1.8
217.01907	4.0
218.02061	2.2
219.01738	7.1
219.03532	5.8
219.05333	3.8
219.07117	6.7
219.13705	5.2
219.17430	100.0
221.05182	2.4
225.02618	1.9
237.02719	2.3
237.06374	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15761	8.0
68.97685	7.4
70.42766	14.1
70.43159	18.9
72.08150	10.4
74.82834	7.7
78.94006	7.2
84.08144	14.1
94.92943	7.9
98.83791	6.6
105.06968	9.0
119.56866	8.7
121.01609	7.9
121.10135	8.0
141.68645	7.1
144.28049	7.9
145.10094	7.8
147.03230	7.7
148.18227	7.7
167.74817	8.4
203.14331	28.2
211.13451	7.0
217.67609	8.9
219.17378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96972	1.6
53.03944	4.3
55.01867	6.2
55.05504	11.5
56.05015	3.6
56.05839	4.4
56.96560	18.0
57.03438	20.0
58.99844	2.8
59.05003	2.2
60.04509	5.6
60.08158	2.6
61.02923	53.1
67.01848	2.8
69.03446	11.8
69.07072	8.7
70.06577	8.2
71.01346	6.7
71.04653	1.6
71.04985	11.5
71.15431	4.1
71.15785	3.1
72.04523	9.6
72.08138	3.0
73.02910	11.8
74.06086	2.3
77.00882	3.9
80.61671	1.8
81.03393	2.5
83.04969	11.4
84.04490	7.5
84.05316	8.1
84.08131	26.6
85.02900	22.2
86.06063	51.9
86.09700	4.9
87.00824	2.9
87.04457	57.9
88.07619	17.3
89.06013	2.2
89.64678	1.6
91.02460	3.9
91.39335	1.7
94.02920	6.2
95.01320	5.6
95.01905	2.7
96.48324	1.9
97.02882	5.2
97.06528	9.1
98.06042	6.7
98.97559	9.4
99.04466	12.8
100.02471	3.6
100.03963	4.3
100.07617	4.1
101.00871	8.5
101.06020	2.4
102.00969	4.5
102.05548	3.9
102.06297	2.6
103.02384	2.9
104.07108	2.0
106.00970	1.8
109.03506	2.4
110.06005	2.3
110.09654	3.1
111.04468	9.5
112.04077	2.7
112.04742	12.3
113.02387	8.0
113.05999	2.8
114.09174	2.4
115.01703	1.7
115.02388	9.7
116.98628	8.8
117.01871	3.5
117.02927	3.7
117.03923	2.0
118.01800	2.7
118.03493	4.0
119.01906	49.3
119.02732	3.8
120.01981	19.3
120.91191	2.0
121.01630	5.8
121.03514	3.5
124.01849	4.1
124.03925	2.2
125.02625	4.1
125.83579	1.8
127.03934	15.5
128.07060	7.2
128.07887	2.0
128.98587	2.7
129.04004	4.0
129.05446	4.1
129.10214	5.7
130.04974	14.6
130.05783	3.3
130.08646	3.4
131.01883	11.8
131.03387	4.5
132.02003	3.0
133.02461	3.9
133.03406	16.6
134.03548	6.6
134.99658	8.3
135.05054	4.3
135.16519	1.8
136.02760	3.7
136.06203	11.6
137.02940	15.4
137.04547	2.2
138.03030	9.1
138.05444	4.9
138.09137	4.4
139.02585	3.3
140.03177	4.4
142.02960	6.3
143.01874	7.1
144.10201	2.1
144.99826	14.9
145.02478	2.6
145.03447	9.3
145.05035	3.3
146.03603	12.9
146.04974	5.9
146.06004	1.8
146.99620	4.1
147.01451	2.8
147.03180	4.4
147.04958	4.1
148.02863	2.3
149.02757	2.6
149.03777	3.9
150.96938	2.4
151.04495	4.4
153.00800	2.8
153.02086	3.2
154.03816	5.0
154.94170	3.1
155.01888	2.4
155.07011	4.7
156.06322	26.3
156.07494	13.0
156.10191	96.3
159.01260	3.4
159.03043	2.0
161.02983	10.9
163.00882	3.3
163.02560	1.9
163.04529	3.0
164.04655	7.5
165.00546	2.3
165.04163	2.3
167.01866	6.9
168.99799	3.3
170.04524	2.0
171.01367	4.2
172.01480	2.4
172.04587	4.5
172.06021	12.8
172.95262	6.1
172.99316	6.4
173.02948	8.8
173.08078	3.9
174.02991	3.8
174.08580	12.3
174.11247	100.0
174.99011	2.1
175.04633	4.1
176.00932	2.7
176.02365	2.4
176.04388	4.6
176.52644	2.6
177.00734	5.1
177.02432	12.0
185.02962	7.1
187.00922	11.1
189.02504	8.0
190.02470	4.3
190.07115	7.1
190.96265	5.6
191.00381	4.5
191.02289	2.3
191.04012	4.9
192.04272	4.9
193.00201	3.8
194.05231	13.6
195.03423	3.7
196.00966	3.1
197.03033	2.7
199.00793	2.5
200.03996	2.8
200.05550	4.6
200.07188	2.0
200.12805	11.8
201.02463	7.1
201.12332	2.3
203.04022	5.3
205.01955	6.3
207.03448	2.1
212.06163	4.4
212.98665	2.7
213.05983	2.2
215.00368	5.5
217.01988	4.6
218.01927	2.2
218.05055	6.3
218.06825	10.4
218.08401	3.3
218.11078	12.0
218.13747	14.0
218.17464	23.4
219.03494	13.5
219.17393	6.3
221.05048	2.9
223.02916	2.7
227.00458	3.5
227.04065	2.2
230.99725	2.5
236.06317	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1585
Annotation	(+)-Anhydro-beta-rotunol
Peak:m/z	Relative Intensity
51.02383	1.0
53.03945	1.8
54.09844	1.0
55.01867	1.7
55.05264	1.7
55.05503	21.6
57.07056	2.4
59.04979	2.1
65.03931	1.6
67.05494	18.5
69.03411	8.9
69.07056	10.1
70.64850	2.2
71.04974	2.3
73.02899	1.0
79.05491	12.1
79.92609	1.1
81.03410	1.5
81.07044	15.2
83.04496	2.3
83.04968	27.7
83.08621	5.0
85.06548	2.3
87.04451	3.0
89.02377	2.8
89.06009	3.8
91.05469	16.9
93.07032	32.0
95.04955	50.7
95.08600	23.4
97.06515	9.7
99.04394	1.1
101.06004	9.7
103.05459	2.0
105.07018	65.1
106.04834	1.1
107.04956	1.4
107.08575	26.9
109.05822	1.7
109.06509	20.4
109.10140	17.8
111.04428	36.0
111.08043	3.0
112.94084	1.0
113.05982	4.8
117.06978	5.0
119.08566	33.7
121.06512	7.7
121.10130	100.0
123.08054	18.1
123.11676	2.1
127.07540	5.5
128.06198	3.5
129.05475	11.0
129.06979	5.3
131.08543	13.2
133.06458	1.9
133.07570	1.5
133.10109	28.4
135.08047	2.4
135.11644	6.3
137.05959	1.5
137.09587	4.3
142.07755	7.0
143.08554	15.6
144.09299	3.4
145.10103	8.9
146.07303	1.5
147.08038	12.0
147.11700	10.4
149.09615	3.2
155.07019	42.0
155.08310	1.8
156.09276	3.3
157.10118	23.2
158.10788	1.5
159.08032	1.7
159.11682	16.9
161.09595	21.8
161.13206	4.0
170.10876	2.1
171.11668	6.8
172.31436	1.2
173.08092	23.7
173.09462	0.9
173.13237	10.4
174.10513	1.1
174.18517	2.4
175.11194	6.4
175.14801	6.0
184.12442	3.1
187.14816	3.7
189.09055	1.5
189.16382	7.4
199.09744	2.1
199.14789	32.9
206.33049	1.1
217.05038	2.1
217.08640	1.5
217.10602	17.6
217.15855	91.6
217.19463	5.5
218.16187	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.0
55.05499	11.2
56.96557	1.5
57.03417	1.8
67.05487	8.0
69.07046	6.1
71.04966	4.7
71.51305	2.7
72.08170	1.5
72.93775	2.2
74.09717	1.8
77.03924	3.6
79.05462	3.5
81.07044	18.5
83.05004	1.7
83.08623	6.2
85.06514	3.8
89.03898	1.9
90.94821	1.8
91.05458	9.0
93.07016	4.3
95.04926	2.2
95.08593	23.6
97.06509	7.5
97.10148	2.7
99.08051	2.9
105.03361	6.0
105.07021	8.1
107.08568	2.9
109.06521	1.9
109.10107	3.8
115.05439	3.6
117.03368	1.9
117.06959	2.0
119.04999	1.3
119.08559	11.2
121.10135	3.9
128.06166	1.4
128.32266	1.3
129.06967	1.8
131.04907	3.6
131.08537	4.0
132.95824	4.5
133.02815	12.1
133.10104	6.7
135.11649	4.1
137.13193	2.4
140.42349	1.2
141.06982	8.6
144.05666	2.2
145.02812	1.8
145.06531	1.8
145.10120	3.5
147.04362	1.7
150.96878	15.8
151.03770	1.8
159.04373	11.1
159.07994	3.7
159.11649	2.0
161.02316	39.3
161.13226	16.4
169.06450	6.4
169.10146	2.2
173.02324	100.0
173.05891	2.8
173.09462	2.1
173.13194	1.6
174.02643	4.0
179.14279	8.4
185.05939	2.8
186.03110	10.1
187.03868	3.8
187.07492	4.9
187.11172	1.7
187.14816	1.5
190.98308	1.3
191.97142	3.1
197.05959	4.8
197.09665	1.4
197.15369	3.0
197.17102	1.4
200.04762	1.4
209.98207	2.3
215.07007	57.4
215.10620	4.8
215.14310	3.4
215.18149	3.5
216.07257	1.8
228.08017	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.05495	0.8
56.05026	1.9
56.96560	24.0
57.03428	2.2
58.06600	1.5
60.80061	0.7
61.02909	2.3
64.71496	0.7
67.05495	0.8
69.03424	2.5
69.07070	9.9
69.63937	5.4
70.06590	6.8
70.22181	0.7
70.98106	2.0
71.06916	1.7
71.24221	0.7
72.08134	3.0
72.93794	1.3
73.02919	1.7
73.06550	2.1
74.97611	1.7
75.04467	0.8
76.03962	0.7
77.00874	1.4
82.99871	1.2
84.08150	3.8
84.96042	1.9
85.02888	2.7
86.09700	79.5
92.53438	0.9
94.06519	1.5
95.04960	1.4
97.02889	1.5
97.06516	9.4
98.06017	0.9
98.21472	1.4
98.97562	6.9
100.02458	4.4
100.99137	2.7
101.00861	13.6
103.02335	0.7
107.04937	0.8
110.05991	0.9
112.07589	1.5
115.02441	1.1
116.00197	0.9
116.98608	4.4
118.03501	12.3
119.00134	2.4
119.01911	100.0
120.02026	2.6
121.01614	1.1
123.04418	1.7
124.07567	1.0
128.73401	0.8
128.98608	5.1
129.10185	0.9
130.03493	1.9
131.01921	6.0
132.01923	0.8
132.05077	2.3
132.95779	1.3
133.03513	3.6
134.99632	3.0
136.04536	4.5
136.06172	2.7
137.02943	49.7
138.03027	1.3
139.62183	0.8
140.00316	0.7
142.03484	4.8
143.01929	1.1
144.05093	2.7
144.08688	2.1
144.98070	1.6
144.99834	2.1
146.99641	3.4
149.02963	2.0
150.06126	0.8
150.96886	3.2
152.10696	1.8
154.03473	1.5
155.05629	1.0
158.93819	0.8
158.99815	1.0
160.04588	2.7
161.02954	2.4
162.09752	3.1
162.99141	2.4
163.02719	1.3
165.00751	1.8
168.06496	1.7
168.08722	1.7
168.99860	0.9
172.03105	0.8
172.04562	2.8
172.08232	0.9
172.95210	1.5
173.02969	1.9
173.06567	2.5
175.04489	0.9
177.00803	1.1
178.07416	2.0
180.46783	0.7
181.00095	1.1
183.01842	1.3
186.06253	1.4
186.09743	45.8
187.00917	0.9
187.09885	1.0
190.05629	2.1
190.96854	1.0
190.98563	5.7
191.03955	2.8
191.07597	1.7
196.08173	1.4
197.06616	3.2
200.04004	0.9
204.10806	20.4
204.12733	1.0
208.99690	5.4
209.11345	2.4
214.05524	2.1
214.07353	2.5
214.09195	19.4
214.14374	1.4
215.00275	1.1
215.07623	5.6
215.14005	1.1
221.05026	0.8
232.01311	1.3
232.10300	54.3
232.96432	0.8
233.08707	3.1
233.10677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12252	0.5
51.44289	0.6
53.03934	1.4
55.03873	0.6
55.05516	4.1
57.07058	1.8
65.03938	1.0
67.05489	1.7
69.06686	0.7
69.07063	13.9
70.02087	1.8
70.02499	2.1
70.06580	0.7
76.79306	0.8
79.05485	4.8
81.07052	4.8
83.08617	3.6
85.58950	0.9
88.07616	1.8
91.04931	0.6
91.05477	10.5
93.07033	11.4
95.04977	1.5
95.08595	2.8
97.06517	0.8
103.05440	0.7
105.07019	23.7
107.04936	0.8
107.08582	16.3
109.06490	1.3
115.05454	2.2
117.06979	1.1
119.08572	28.8
120.08876	0.7
121.02799	0.7
121.10124	6.9
128.06194	7.9
129.07001	9.1
129.94699	0.7
130.07814	0.7
131.08563	3.2
133.10117	10.1
134.11038	0.7
141.06944	4.7
142.07765	20.1
143.08551	33.0
144.08926	1.3
145.10106	6.2
147.11719	1.1
154.07756	0.7
155.08546	4.4
156.08357	0.5
156.09329	18.0
157.10114	63.0
158.10844	2.6
159.11662	2.9
165.06966	1.6
168.09464	0.8
169.10121	5.0
170.10909	5.1
171.11673	37.7
172.12253	0.9
180.09358	1.1
183.11668	9.2
184.12444	2.6
185.13225	8.1
195.11694	1.8
197.13353	0.8
198.10330	0.9
198.14040	11.9
198.32582	0.7
213.05351	0.9
213.12837	4.2
213.16362	100.0
214.16731	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37610	2.7
53.03938	5.8
55.01868	3.9
55.05506	26.2
57.03428	6.7
57.07075	5.8
57.76818	3.4
59.71961	3.0
67.05496	72.0
69.03431	5.2
69.07058	34.4
70.06576	3.5
71.04977	11.5
71.75030	4.1
71.75423	4.2
79.05489	45.6
81.03388	5.7
81.07047	100.0
82.07332	3.1
83.04954	8.9
83.08601	25.6
85.02892	3.9
85.06509	5.4
85.12177	3.4
88.07623	11.6
91.05471	26.6
93.07035	65.3
95.04956	9.1
95.08588	32.6
97.06503	18.6
97.10144	5.2
99.04409	6.9
105.07019	24.3
107.08580	39.0
109.06464	5.0
109.10122	5.5
111.08086	10.6
117.07003	29.0
119.08575	19.8
121.06506	4.0
121.10141	17.4
123.11671	5.0
127.03904	12.5
128.06209	13.5
129.07025	19.0
131.08516	17.2
133.10129	14.0
135.11679	17.3
139.07521	3.7
141.07004	4.2
142.07779	14.0
143.08531	25.7
145.10106	28.4
149.13258	32.4
155.08546	5.0
156.09366	8.3
157.06503	7.4
157.10129	44.6
159.11726	19.9
165.06940	6.2
167.03432	3.3
167.08534	9.1
169.10077	6.8
171.08073	8.9
171.11656	30.4
177.12749	4.4
180.09413	5.4
183.07903	4.7
184.05199	7.3
185.05936	5.4
185.09630	10.0
185.13243	10.2
186.86238	3.7
195.08012	6.9
195.11719	11.5
195.13811	9.4
213.05519	23.9
213.07170	3.9
213.09250	22.4
213.12997	25.8
213.16383	59.6
214.10767	3.3
220.94202	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
54.83018	0.5
55.05500	3.8
56.96550	1.4
57.07063	3.7
63.22100	0.6
63.22503	0.5
67.05482	0.9
69.06728	0.7
69.07057	7.2
71.04979	0.9
71.13538	1.8
79.05482	5.6
81.07037	2.1
83.08623	3.0
88.07572	1.0
91.05470	7.6
93.07033	7.7
95.04924	1.1
95.08583	2.2
103.05442	2.1
105.07019	54.9
107.08587	7.3
115.05415	0.9
117.06985	3.9
119.08569	48.3
121.10133	8.8
126.89914	0.6
128.06189	9.2
129.07011	7.6
131.08545	2.7
133.10132	6.5
141.06918	4.7
142.07758	16.7
143.08548	49.5
144.08977	0.8
145.10136	3.6
155.08527	3.9
156.09317	14.7
157.10115	54.5
158.10692	2.0
165.06956	0.8
169.10083	3.6
170.10873	4.4
171.11678	46.8
172.12190	1.2
180.09193	1.1
183.11694	6.5
184.12433	2.8
185.13210	5.6
197.13091	0.6
198.10489	1.5
198.13994	5.3
199.14772	2.2
213.12845	3.7
213.16360	100.0
214.16631	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03929	2.4
55.01862	17.1
55.05503	76.8
57.03425	2.1
57.07063	2.1
59.04977	1.9
67.05494	27.6
69.03416	9.1
69.07059	17.8
69.44024	9.3
71.04981	69.0
72.05293	0.9
73.92359	0.8
79.05481	19.0
81.03382	1.6
81.07043	30.9
81.07534	1.5
83.04971	6.4
83.08607	49.6
84.08963	0.9
85.06525	6.9
87.04449	10.6
91.05465	6.1
93.06493	1.5
93.07030	19.7
95.04940	1.8
95.08596	11.0
97.06516	100.0
97.10152	65.6
98.06819	0.9
99.08066	0.9
100.14879	0.8
101.05977	1.1
101.09618	2.5
105.07011	3.6
107.08578	23.9
109.06488	2.1
109.10142	15.2
111.08076	5.1
116.76267	0.8
117.06980	4.9
119.08598	1.2
121.06474	1.7
121.10106	3.0
123.08068	1.1
125.09612	40.8
128.06148	1.3
131.08553	4.1
133.10121	4.8
135.08040	6.4
135.11653	6.6
143.08524	1.0
143.10629	2.0
144.32454	0.9
147.11647	1.4
149.09625	1.4
149.13240	4.8
153.09042	1.2
157.10080	0.9
159.11699	6.2
167.08524	0.8
167.14230	1.1
171.08098	1.0
177.12721	6.5
185.09612	0.9
189.11180	10.1
195.13782	44.3
196.14125	1.1
213.12999	3.5
213.14818	93.5
214.15161	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1482
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.75936	1.5
52.78726	1.3
53.03931	2.4
53.39394	1.5
55.01869	1.5
55.05505	22.5
57.03421	2.8
57.07069	11.6
67.05494	7.8
69.03424	3.0
69.07054	10.2
70.57346	1.3
70.94376	2.9
71.04973	2.1
79.05490	6.7
81.07040	9.8
83.04958	10.4
83.08611	3.0
85.06519	5.5
88.07622	5.3
91.05463	8.6
93.07030	20.0
95.04950	4.3
95.08595	16.3
97.06515	7.2
98.97603	1.7
103.05491	1.8
105.07021	11.5
107.04920	2.0
107.08588	22.0
109.06509	5.3
109.10125	3.1
111.04430	100.0
111.08050	4.6
113.05994	2.7
116.98560	1.6
117.07069	3.0
119.08572	7.7
121.06521	5.3
121.10098	5.8
125.05978	29.2
127.07537	3.7
128.06209	4.7
129.07002	6.7
130.07777	2.6
131.08553	4.7
133.10103	2.1
134.48540	1.5
134.99612	2.2
135.08032	13.8
135.11679	21.0
137.13135	1.3
139.07558	4.4
141.06993	4.1
142.07756	7.3
143.08577	12.2
145.10114	20.4
146.81107	1.3
147.35730	1.4
153.12720	4.7
155.08560	2.6
156.09326	5.9
157.06494	1.8
157.10144	18.3
163.11171	21.9
165.07019	3.9
167.08467	1.7
169.10094	3.2
170.10814	3.4
171.07982	3.0
171.11644	14.2
180.09357	4.1
181.12225	32.5
183.08022	2.0
183.11723	2.1
185.09575	2.6
185.13260	7.7
185.40649	1.4
195.06476	1.7
195.11710	5.7
195.13806	3.1
198.10391	4.1
198.14093	2.1
213.09328	3.0
213.12975	15.6
213.16377	28.8
214.04967	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03929	2.5
55.01852	4.0
55.05491	4.6
56.96556	3.7
57.03427	2.4
57.07055	3.7
57.92390	1.2
61.02921	1.7
62.13309	1.2
67.05478	4.4
69.03401	6.3
69.07041	3.5
69.95828	7.1
70.06581	9.6
71.04960	1.8
72.08157	5.8
73.02898	3.7
79.05489	13.9
81.03391	2.8
81.07018	6.0
83.04972	2.3
83.08609	3.4
84.08159	2.3
85.02873	4.6
86.09676	5.2
87.30403	1.1
88.07609	4.2
91.05470	30.3
93.07034	32.5
95.04948	3.7
95.08585	3.3
97.02867	4.2
97.06511	3.7
98.97549	2.4
99.04442	2.1
103.05446	2.0
105.07012	35.7
107.04923	4.3
107.08582	56.3
109.06480	4.7
109.10112	1.3
111.04416	3.2
115.05424	1.9
116.06207	4.7
116.98566	3.0
117.07006	3.3
119.04887	3.8
119.08564	100.0
119.90186	1.1
121.06488	5.5
121.10127	34.9
123.04398	3.6
123.08039	3.6
125.09605	2.7
126.59609	1.2
127.03910	2.6
128.06192	2.3
129.06961	4.5
130.06413	1.7
131.08545	36.4
133.06479	13.2
133.07460	2.2
133.10104	14.3
135.04373	3.7
135.08032	15.5
137.05922	1.8
139.07579	1.5
143.08514	1.9
147.08012	17.5
148.97365	3.9
149.05977	1.5
149.09592	43.7
151.03886	1.8
151.07507	8.4
152.39191	1.3
153.05440	7.7
153.09073	4.1
157.06470	1.4
157.10136	2.8
159.08070	8.8
165.05446	2.5
165.06952	1.4
165.09116	20.6
167.06972	4.3
167.08414	2.3
167.10645	15.9
177.09093	57.5
178.09351	1.5
179.32175	1.2
185.05942	1.2
195.06436	1.7
195.08342	1.4
195.10135	35.8
195.11668	2.4
197.61217	1.3
207.06305	1.5
213.05428	2.9
213.07419	1.4
213.09418	1.8
213.11124	28.6
213.16162	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03934	4.0
55.01870	3.0
55.05498	4.8
56.59494	1.3
56.96277	1.5
56.96555	5.4
57.03440	1.8
57.07050	1.9
58.74395	1.5
60.04523	1.5
61.02922	10.1
65.03941	9.1
67.05493	4.2
69.03428	3.0
69.07049	4.3
70.06579	7.1
71.04969	2.9
71.47420	2.7
72.08141	5.8
73.02924	2.3
77.03928	1.4
79.05496	22.5
81.03407	2.4
81.07037	2.7
83.04989	1.4
83.06109	2.7
83.08601	3.0
86.09688	6.4
88.07627	8.2
91.05472	8.1
93.03375	3.9
93.07037	2.9
95.04958	11.1
95.08612	2.0
97.02875	1.9
97.06526	2.2
97.10139	2.0
98.06039	2.1
99.04449	1.7
105.07013	2.3
107.04945	33.3
107.08573	3.5
108.02093	2.4
109.02917	2.2
109.06497	2.4
109.07605	1.7
110.03657	26.8
110.07150	2.7
111.04436	18.6
114.06580	1.4
117.03344	2.0
119.04973	3.4
121.06502	12.3
121.10132	2.5
122.03614	4.8
125.05984	60.4
125.09590	1.5
126.06370	1.6
128.06216	1.6
129.06992	3.1
133.02838	13.6
134.99594	2.6
135.04404	26.4
135.08098	1.9
137.05991	6.7
139.07501	1.8
139.08684	1.6
140.04663	1.8
140.07336	1.7
141.00038	1.8
141.05482	7.4
142.07765	2.6
143.08548	4.0
148.97375	5.7
149.05978	21.1
149.09602	2.3
150.03146	9.3
151.03902	100.0
151.05003	10.9
152.04271	2.4
153.05484	15.5
155.08501	2.6
157.10089	4.7
162.03188	2.7
163.03893	8.2
165.05486	39.7
165.06848	2.1
167.07033	20.5
169.10100	2.7
170.10948	1.5
171.08061	2.1
174.00729	2.1
177.05464	20.8
177.09010	1.5
185.09509	1.4
185.13246	2.6
188.92477	4.4
189.97711	1.7
195.06503	16.6
195.08087	2.5
195.11737	6.2
213.05435	3.9
213.07565	6.3
213.09422	2.4
213.13004	9.3
213.16292	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03937	1.6
55.01866	1.2
55.05507	18.2
57.03419	3.5
57.07056	4.3
57.97796	1.1
59.04987	3.0
65.03925	1.8
66.16621	1.2
67.05501	35.8
69.03089	1.2
69.03428	13.5
69.07061	18.9
71.04974	4.6
71.08618	2.0
71.29226	1.2
71.29552	2.0
79.05492	10.5
81.03401	10.0
81.06600	2.1
81.07052	34.3
83.04967	18.3
83.08622	12.8
85.06557	5.2
91.05470	9.2
93.07041	14.6
95.04964	11.3
95.08599	49.4
97.02907	1.5
97.06516	3.0
97.10148	2.9
99.08055	4.0
105.07009	11.5
107.07902	2.1
107.08585	29.2
109.06524	16.4
109.10147	100.0
111.08064	6.0
113.09621	2.0
117.07047	1.3
119.08572	27.3
121.10130	11.4
123.04454	1.2
123.08067	18.4
123.11705	10.8
125.09615	5.7
128.19058	1.0
129.06982	1.4
131.08539	1.4
133.09164	1.5
133.10124	21.2
135.11688	59.3
136.12054	1.2
137.09604	21.2
139.11168	3.3
147.11703	5.5
149.09662	1.5
149.13229	4.6
151.11189	12.3
151.14801	10.8
153.06947	1.5
153.12729	4.4
155.03391	3.4
155.08516	3.1
157.10089	2.0
163.14897	1.5
165.07062	1.3
165.12778	1.4
165.16367	3.1
167.07039	1.7
167.10739	1.3
168.09315	2.5
168.63011	1.1
169.10149	1.3
170.05711	4.5
175.11174	2.3
175.14806	18.6
183.11642	2.4
193.12260	3.0
193.15866	15.1
196.07225	1.1
211.05867	1.4
211.07684	3.3
211.11143	3.9
211.13081	2.2
211.15024	1.6
211.16885	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1688
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
52.26010	0.6
53.03931	2.3
55.01863	1.5
55.05500	19.2
56.96547	1.0
57.03418	5.3
57.07067	5.1
59.04988	3.0
59.81287	0.7
63.29861	0.6
65.03920	1.3
67.05491	33.3
69.03418	13.6
69.07054	20.0
70.56950	1.4
70.57342	1.6
71.04974	4.7
71.08613	1.0
72.61771	0.6
73.77432	0.6
79.05479	10.5
81.03400	11.4
81.07038	31.7
83.04498	1.1
83.04961	16.1
83.08601	13.1
85.06519	4.8
86.29852	0.6
87.56317	0.6
91.05461	11.1
93.07022	16.4
95.04942	10.5
95.08587	46.9
97.02859	0.7
97.06519	4.0
97.10156	3.3
99.04441	1.1
99.08086	4.1
105.07001	11.4
107.04931	1.2
107.08572	29.5
109.06496	14.8
109.10134	100.0
110.10477	2.3
111.08053	6.9
113.05943	1.0
113.09615	1.6
117.07018	1.2
119.08553	24.1
120.96070	0.6
121.06474	1.3
121.10122	11.3
122.07118	0.8
123.04409	1.8
123.08045	15.1
123.11684	8.9
125.05960	1.1
125.09604	8.7
126.28627	0.6
127.11184	1.4
129.06972	2.6
131.08545	2.0
133.06487	1.1
133.09351	0.4
133.10103	20.4
135.11664	64.6
137.05966	1.1
137.09583	21.5
139.11136	4.1
141.06927	0.9
142.07787	0.8
145.10069	0.9
147.08151	0.7
147.11674	4.3
149.09601	2.0
149.13223	5.5
151.03885	0.7
151.07597	1.0
151.11156	10.6
151.14789	13.5
153.05435	0.6
153.06923	0.7
153.12738	2.7
154.07729	0.9
155.03366	1.7
155.08530	2.6
157.10075	2.3
163.97488	0.7
165.06912	1.3
165.09030	0.7
165.12762	1.6
165.16348	2.2
167.07050	0.7
167.08487	1.0
167.10645	1.5
168.09328	1.6
169.10091	2.5
170.05688	1.5
175.11208	1.5
175.14789	19.0
181.10095	1.7
183.06482	1.0
183.08049	1.1
183.11650	3.2
193.10359	1.4
193.12244	4.7
193.15858	15.7
196.08769	0.7
196.12419	0.7
211.07582	3.0
211.09462	1.2
211.09949	0.7
211.11177	4.4
211.13274	1.9
211.14824	2.3
211.16925	2.7
212.04852	0.7
212.16266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
50.22322	0.7
52.38092	0.8
53.03942	4.9
55.01863	5.6
55.05504	40.4
57.03178	0.9
57.03430	8.5
57.07054	1.3
59.04981	1.3
59.06416	0.8
65.03926	2.4
67.05499	31.7
67.35405	0.7
69.03425	8.2
69.07063	11.1
69.64918	6.7
71.01320	1.2
71.04990	4.0
71.41167	0.9
72.01434	0.8
73.06540	0.8
79.05013	1.4
79.05486	31.0
81.03410	100.0
81.07046	38.1
81.07533	1.4
82.03768	1.5
83.04971	46.8
83.08612	31.1
85.02899	1.3
85.06511	1.9
91.05470	45.3
93.07037	17.3
95.04958	38.7
95.08593	14.4
97.02867	3.3
97.06507	4.5
97.10160	8.2
98.21484	1.6
99.08081	1.1
103.05455	1.4
105.07016	23.1
107.04951	7.6
107.08574	9.4
109.02870	16.2
109.05799	1.0
109.06509	7.3
109.10149	5.6
111.04437	1.4
111.08058	11.9
113.05984	1.5
115.05444	2.5
117.06996	2.8
119.04939	14.5
119.08568	19.3
121.06462	2.6
121.10136	8.0
123.04395	2.5
123.08048	6.5
123.11715	1.6
125.09587	2.2
127.03900	2.8
128.06244	1.0
129.06996	11.5
131.08553	11.9
133.06522	4.3
133.10110	11.3
135.04399	2.0
135.11661	1.8
137.02298	2.2
137.05956	5.1
137.09627	6.2
141.05371	0.8
142.07765	3.3
145.10114	2.8
147.04396	9.8
147.08002	3.1
147.11664	12.3
149.05911	0.9
149.09599	7.2
151.07523	7.6
153.05431	1.5
155.03372	61.2
155.08466	1.4
157.10110	14.6
161.05956	1.0
163.03877	6.2
164.04199	2.5
165.09140	4.0
165.12715	2.5
169.10150	1.6
170.05725	90.5
171.06104	0.9
175.11171	16.0
175.14828	1.7
179.07016	5.2
181.04974	4.3
183.06514	3.8
193.08604	1.0
193.12216	34.5
193.15834	1.2
196.07298	12.4
211.07581	1.6
211.09589	6.7
211.11093	0.9
211.13216	15.3
211.15092	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.6
53.03936	3.0
55.01866	5.3
55.05505	24.8
57.03432	6.9
57.07071	0.8
59.04993	1.4
65.03920	2.9
67.05498	21.7
68.99799	0.6
69.03426	7.7
69.07060	7.8
70.06586	0.9
71.01353	0.6
71.04985	3.8
73.06538	0.7
76.99928	0.4
79.05486	22.4
80.05824	0.9
80.06270	0.6
81.03409	61.4
81.07047	26.1
81.07537	0.8
83.04972	28.9
83.08609	21.7
83.09116	0.8
84.08148	0.6
85.02889	1.8
85.06523	2.0
86.06031	0.5
91.05470	37.6
92.05795	0.5
93.03384	1.1
93.07035	14.3
94.28873	0.5
95.04956	24.1
95.08589	9.9
97.02863	3.0
97.06517	4.9
97.10156	5.3
99.04476	0.5
99.07495	0.4
99.08095	1.3
103.05473	1.5
105.03373	0.6
105.07019	18.4
107.04948	5.5
107.08575	5.9
108.04477	0.4
108.05746	0.7
109.02866	18.9
109.06496	6.5
109.10123	2.9
111.04433	2.6
111.08077	7.4
112.01546	0.6
113.06004	0.7
115.05435	1.3
117.06962	1.2
118.04152	1.0
119.04929	19.2
119.08563	12.2
121.02840	0.5
121.06487	1.8
121.10128	5.3
122.10560	0.5
123.04443	4.3
123.08071	4.2
123.11689	1.5
124.05170	0.6
125.02307	0.6
125.05959	1.7
125.09626	2.5
127.03891	2.7
128.06148	0.8
129.06984	8.1
131.08545	8.0
133.06479	4.5
133.10110	8.0
135.04420	1.8
135.08043	0.6
135.11694	0.8
136.05142	1.1
136.07573	0.6
137.02284	2.9
137.05949	9.2
137.09613	3.5
139.03946	0.5
142.07787	2.0
145.10081	1.0
147.04388	11.9
147.08012	2.6
147.11664	9.3
149.05936	0.6
149.09587	5.8
150.06682	0.6
151.03873	0.7
151.07524	9.4
151.11154	2.1
153.05420	2.8
153.06845	1.3
155.03371	76.8
155.08514	2.4
156.03735	1.5
157.10106	10.1
161.05864	0.9
161.87547	0.5
163.03882	10.3
163.11124	0.6
164.04228	1.9
165.05508	0.7
165.09087	5.9
165.12729	2.9
167.07008	1.1
167.08524	0.9
168.09328	1.6
169.10124	0.8
170.05721	100.0
171.06053	1.5
175.11168	10.5
179.07007	5.6
181.04932	7.9
181.06406	1.0
181.10077	0.8
183.06534	4.9
183.07988	0.9
183.11681	1.9
193.08543	0.8
193.10286	1.1
193.12212	21.8
194.12506	0.5
196.07288	14.1
196.08853	1.0
205.98697	0.6
211.05911	1.0
211.07542	2.5
211.09592	9.3
211.11227	2.3
211.13095	10.4
211.15051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.66288	0.7
53.03935	3.8
55.01864	7.0
55.05505	41.2
56.96567	1.0
57.03434	9.1
57.07063	1.1
59.04976	1.0
65.03934	2.0
67.05497	31.4
69.03423	12.5
69.07059	10.2
70.06590	1.6
71.04732	0.6
71.04996	6.4
71.20763	1.5
71.65840	0.8
72.97953	0.8
73.02910	1.0
73.18903	0.8
79.05486	32.1
81.03409	100.0
81.07044	39.7
81.07539	1.4
82.03751	1.2
83.04969	50.3
83.08611	28.9
84.05293	1.0
84.08168	0.9
84.89748	0.8
85.02889	1.7
85.06528	3.7
87.04455	0.8
91.05470	36.4
93.07034	18.3
94.06540	2.4
95.04956	35.7
95.08599	14.5
97.02882	4.1
97.06518	5.2
97.10161	8.8
98.06054	0.9
99.04426	1.2
99.08076	2.6
105.07023	25.7
107.04953	7.8
107.08578	9.8
109.02885	1.0
109.06496	8.0
109.10139	3.5
111.04443	3.2
111.08067	12.8
113.05978	1.6
115.05428	2.4
116.98583	0.9
117.07002	1.6
118.93018	0.9
119.04977	1.9
119.06046	3.4
119.08568	20.4
121.06473	1.7
121.10116	7.7
123.04457	1.9
123.08079	4.8
123.11689	2.0
125.05962	1.3
125.09604	3.8
128.06194	1.0
129.06998	14.2
131.08542	11.6
133.06477	2.8
133.10109	12.2
135.11632	1.3
137.05913	1.7
137.09604	3.9
141.06966	1.3
142.07777	3.3
145.10194	0.8
147.08044	4.8
147.11670	17.2
149.09608	7.7
151.03842	0.9
151.07486	1.5
151.11110	2.0
152.07040	2.5
153.06979	2.2
155.08559	3.6
157.10100	15.6
165.06895	1.5
165.12772	3.4
167.07014	1.6
168.09334	1.7
169.10188	1.0
170.05750	2.0
175.11174	15.5
179.06940	1.1
183.08049	1.1
183.11696	2.5
193.12227	32.0
194.08073	0.8
194.12686	0.9
211.05916	0.9
211.07608	3.3
211.09428	0.7
211.11215	3.7
211.13295	15.2
212.11827	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.01602	0.7
53.03941	5.7
55.01870	5.4
55.05504	43.3
56.96556	1.0
57.03431	9.6
57.07063	1.3
59.04968	1.1
62.78395	0.9
63.61536	0.8
65.03913	1.5
67.05495	30.8
69.03418	9.7
69.07059	10.9
71.04988	5.7
71.20052	0.8
71.24535	1.6
75.16064	0.8
79.05482	33.3
81.03407	100.0
81.07046	38.5
81.07536	1.6
82.48151	0.8
83.04969	47.9
83.08608	32.6
85.02905	1.8
85.06529	4.0
91.05469	36.2
93.06435	0.8
93.07032	16.7
95.04953	35.4
95.08588	12.7
97.02870	3.6
97.06528	5.4
97.10172	6.7
99.04443	0.9
99.08071	2.5
99.41909	0.7
101.09638	0.7
102.54219	0.7
105.07019	22.5
107.04943	6.2
107.08583	8.4
109.06477	5.5
109.10108	3.7
111.04430	3.0
111.08060	11.7
113.06013	1.4
114.76777	0.8
115.05444	2.7
117.07011	2.2
117.54031	0.8
119.04910	1.2
119.08562	21.3
121.06515	1.6
121.10121	8.5
123.08052	4.5
123.11686	1.5
125.05985	1.2
125.09592	1.8
128.06277	1.3
129.06984	12.2
131.08557	12.6
133.06483	3.6
133.10109	13.5
135.11694	1.1
137.09610	3.0
141.06955	1.2
142.07770	3.3
145.10130	2.2
147.08044	3.9
147.11667	15.6
149.09581	6.4
153.06955	1.1
155.08563	2.3
157.10109	18.2
163.11162	1.0
165.12726	2.8
167.08766	0.7
168.09373	1.1
169.10075	1.5
171.38423	0.8
175.11154	16.7
181.09999	1.3
183.11647	2.2
193.10292	1.7
193.12206	32.4
196.12430	0.8
211.05930	1.2
211.11154	2.6
211.13145	13.0
211.14780	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03943	5.4
55.01870	6.9
55.05503	42.4
56.96555	1.3
57.03429	12.1
57.96161	1.0
59.05005	1.2
65.03932	2.0
67.05134	1.6
67.05493	30.8
69.03428	11.6
69.07063	10.9
70.35911	3.6
71.04966	5.2
73.38373	1.1
79.05013	1.5
79.05482	30.5
81.03407	100.0
81.07043	41.0
82.03741	1.3
83.04967	50.4
83.08605	31.8
83.13454	1.1
85.06537	2.2
87.04456	1.1
91.05469	37.9
93.07025	17.1
95.04957	30.6
95.08572	13.0
97.02874	3.6
97.06511	5.0
97.10154	6.3
99.08090	2.4
105.07021	27.7
107.04935	6.7
107.08592	7.8
109.06495	7.0
109.10147	3.0
111.04424	1.7
111.08064	11.4
113.06039	1.7
115.05440	2.3
117.06989	2.5
119.08574	21.0
121.05701	1.1
121.06497	2.8
121.10128	9.0
123.07237	1.2
123.07969	5.1
125.09632	2.8
128.06224	1.6
129.06987	11.8
131.08543	11.7
133.06477	3.0
133.10115	10.8
135.08238	1.6
137.09633	2.4
142.06636	1.0
142.07773	3.4
145.10147	2.2
147.08031	4.3
147.11655	15.1
149.09595	8.0
157.10106	15.4
165.12804	3.2
168.09346	1.3
169.10126	1.5
170.05743	1.3
175.11182	17.3
183.11668	2.3
193.12239	29.6
196.12524	1.4
211.11308	1.3
211.13176	13.0
229.26163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03929	5.0
55.01865	7.1
55.05238	2.6
55.05505	47.7
57.03189	1.5
57.03430	17.0
57.07053	1.9
59.04981	2.1
65.03913	3.4
67.05498	42.8
69.03426	14.3
69.06720	1.9
69.07058	15.3
70.06573	1.4
71.01302	1.5
71.03928	2.5
71.04978	9.7
75.75686	1.0
79.05484	41.1
79.28996	1.3
81.03408	100.0
81.07046	54.5
81.07535	1.8
81.93120	1.4
83.04969	49.4
83.08606	36.7
85.02880	3.4
85.06538	6.9
86.09655	1.2
91.05467	52.4
93.07031	30.8
95.04957	39.4
95.08591	27.4
97.02866	3.4
97.06524	8.9
97.10155	7.1
98.06025	1.5
99.04436	2.2
99.08096	5.7
103.05453	1.6
105.06319	2.4
105.07018	33.7
107.04942	8.9
107.08584	24.2
109.02856	15.7
109.06512	14.2
109.10139	33.9
111.04424	3.5
111.08064	12.3
113.06034	1.5
115.05450	2.0
117.06999	2.6
119.04934	18.7
119.08566	31.1
121.06459	4.0
121.10122	15.1
121.77248	1.0
123.04414	5.0
123.08051	15.7
123.11665	6.1
125.02326	2.0
125.05967	2.9
125.09620	6.8
127.03942	1.2
127.07533	2.0
129.07004	14.5
131.08560	13.8
133.06508	5.5
133.10107	18.5
135.04355	2.0
135.08022	1.2
135.11678	19.0
136.05147	1.8
137.02354	2.1
137.05962	8.5
137.09593	9.0
139.11163	3.5
141.05502	1.2
141.06944	1.6
142.07762	6.0
145.10152	1.9
147.04407	11.1
147.08032	5.1
147.11671	17.0
149.09604	8.4
149.13242	2.0
151.03879	1.5
151.07530	8.4
151.11176	5.3
151.14795	4.1
152.26172	1.1
153.05470	2.8
153.06985	3.2
153.12749	1.3
155.03377	62.4
155.08554	6.1
157.10104	20.3
163.03903	7.0
164.04164	1.8
165.05492	2.7
165.06923	1.7
165.09097	5.3
165.12750	5.1
167.06960	1.7
167.08447	1.5
167.10663	3.5
168.09363	4.9
169.10089	3.2
170.05721	82.4
175.11160	20.5
175.14763	6.0
178.07846	1.2
179.07025	4.4
181.04898	7.2
181.06345	1.9
181.10097	4.5
183.06467	6.6
183.11646	4.9
193.08517	3.4
193.10263	3.1
193.12210	33.6
193.15874	5.9
196.07248	15.2
196.08864	1.7
196.12404	1.2
211.03937	1.2
211.07475	4.8
211.09279	8.2
211.11208	7.8
211.12958	15.7
211.14845	2.7
211.16577	1.6
229.07660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1325
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.56147	0.7
53.03942	4.3
54.72752	0.6
55.01865	7.1
55.05502	43.3
57.03429	9.5
57.07067	1.1
58.01730	0.6
59.04984	1.1
65.03932	2.4
67.05132	1.5
67.05494	30.0
68.99767	0.7
69.03419	11.0
69.06683	1.0
69.07056	11.4
70.50338	0.8
71.04982	6.4
71.05603	1.5
78.46758	0.7
79.05483	33.1
81.03407	100.0
81.07043	39.0
81.07536	1.1
82.03716	1.5
83.04968	51.9
83.08608	34.7
85.06538	2.6
87.45786	0.8
91.05468	38.1
93.06434	1.0
93.07027	18.3
95.04951	35.5
95.08595	14.9
97.02876	3.8
97.06523	5.6
97.10163	8.1
99.04482	1.2
99.08072	2.3
105.04475	0.9
105.07017	24.0
107.04935	7.7
107.08583	9.4
109.02856	2.4
109.06506	7.5
109.10136	4.5
111.04440	3.6
111.08057	11.9
113.06039	0.7
115.05398	1.6
117.07021	1.5
119.04926	3.7
119.08570	21.0
121.06492	2.2
121.10124	8.5
123.04411	1.3
123.08060	4.3
123.11695	2.5
125.09640	3.1
129.06989	13.8
131.08536	12.7
133.06474	4.1
133.10112	12.7
137.05913	1.1
137.09619	3.2
141.06926	0.8
142.07755	4.4
145.10141	2.5
147.04385	3.3
147.08052	3.2
147.11646	15.5
149.09595	6.9
151.07600	1.2
151.11192	1.1
153.07036	0.9
155.03352	7.3
155.08551	2.3
157.10104	17.4
163.03952	0.8
164.04308	0.7
165.12762	4.0
167.10707	1.4
168.09279	0.9
169.10100	0.8
170.05722	12.9
175.11165	16.0
175.12630	1.1
179.06995	1.8
183.08113	1.0
183.11856	1.1
193.12213	36.2
194.12531	1.1
196.07274	2.0
211.07530	1.9
211.09373	1.1
211.11218	2.4
211.13179	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Crocinervolide
Peak:m/z	Relative Intensity
53.03929	4.8
55.01869	9.6
55.05503	26.3
56.96561	5.5
57.03424	4.5
57.07060	2.8
61.02905	1.3
65.03929	3.7
67.05495	66.4
69.03412	7.3
69.07056	20.5
71.04980	12.6
71.75286	1.0
72.08142	1.0
76.25333	0.8
79.05482	63.6
80.05816	1.2
81.03404	14.5
81.07044	73.5
83.04494	2.0
83.04970	28.4
83.08607	14.2
84.96043	0.9
85.02898	3.5
85.06541	6.8
87.04450	7.8
91.05466	73.2
93.06425	1.3
93.07030	42.5
95.04954	100.0
95.08595	29.0
97.02898	1.8
97.05929	1.9
97.06520	18.6
97.10140	3.1
97.99187	1.1
99.04448	3.8
99.08073	2.1
101.02341	4.8
103.05391	1.0
105.07015	51.4
107.04943	20.2
107.08576	33.8
109.06504	26.4
109.10143	8.4
111.04440	10.7
111.08084	4.1
111.14091	0.9
113.05976	5.1
115.05420	3.2
117.06996	9.9
118.83218	0.9
119.04916	2.3
119.08558	27.8
120.08871	1.0
121.06508	2.1
121.10134	11.6
123.04433	2.0
123.08055	3.6
123.11689	9.1
125.05972	3.0
125.09629	5.8
127.07610	1.0
128.06212	1.7
129.05482	1.2
129.06978	20.6
131.08548	17.7
133.06493	7.8
133.10106	36.9
135.08032	26.9
135.11661	5.3
137.05963	1.9
137.09602	3.5
141.05490	1.1
141.06976	6.0
142.07745	6.4
143.08521	1.5
145.10118	2.1
147.08035	4.6
147.11655	30.5
149.09584	13.2
151.07585	1.8
151.11148	25.0
153.06995	2.1
153.12704	1.5
155.03371	2.6
155.07361	1.4
155.08493	6.8
157.10100	17.8
163.97708	1.7
165.07001	1.2
165.09103	1.4
165.11458	0.7
165.12743	17.5
167.08522	2.4
168.09319	3.8
169.10121	9.4
170.05708	3.5
170.63063	1.0
175.11177	22.8
179.07062	1.3
181.06461	1.6
181.10124	3.3
182.10788	1.2
183.06606	1.7
183.11626	7.9
193.10263	2.8
193.12199	23.6
194.12549	1.1
196.07162	1.1
196.08890	2.0
196.12427	3.0
205.98718	1.5
211.05821	1.6
211.07579	2.4
211.11163	6.9
211.13229	11.6
211.14856	13.5
225.95959	1.0
229.07576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.02384	0.6
53.03936	3.0
55.01866	5.3
55.05505	24.8
57.03432	6.9
57.07071	0.8
59.04993	1.4
65.03920	2.9
67.05498	21.7
68.99799	0.6
69.03426	7.7
69.07060	7.8
70.06586	0.9
71.01353	0.6
71.04985	3.8
73.06538	0.7
76.99928	0.4
79.05486	22.4
80.05824	0.9
80.06270	0.6
81.03409	61.4
81.07047	26.1
81.07537	0.8
83.04972	28.9
83.08609	21.7
83.09116	0.8
84.08148	0.6
85.02889	1.8
85.06523	2.0
86.06031	0.5
91.05470	37.6
92.05795	0.5
93.03384	1.1
93.07035	14.3
94.28873	0.5
95.04956	24.1
95.08589	9.9
97.02863	3.0
97.06517	4.9
97.10156	5.3
99.04476	0.5
99.07495	0.4
99.08095	1.3
103.05473	1.5
105.03373	0.6
105.07019	18.4
107.04948	5.5
107.08575	5.9
108.04477	0.4
108.05746	0.7
109.02866	18.9
109.06496	6.5
109.10123	2.9
111.04433	2.6
111.08077	7.4
112.01546	0.6
113.06004	0.7
115.05435	1.3
117.06962	1.2
118.04152	1.0
119.04929	19.2
119.08563	12.2
121.02840	0.5
121.06487	1.8
121.10128	5.3
122.10560	0.5
123.04443	4.3
123.08071	4.2
123.11689	1.5
124.05170	0.6
125.02307	0.6
125.05959	1.7
125.09626	2.5
127.03891	2.7
128.06148	0.8
129.06984	8.1
131.08545	8.0
133.06479	4.5
133.10110	8.0
135.04420	1.8
135.08043	0.6
135.11694	0.8
136.05142	1.1
136.07573	0.6
137.02284	2.9
137.05949	9.2
137.09613	3.5
139.03946	0.5
142.07787	2.0
145.10081	1.0
147.04388	11.9
147.08012	2.6
147.11664	9.3
149.05936	0.6
149.09587	5.8
150.06682	0.6
151.03873	0.7
151.07524	9.4
151.11154	2.1
153.05420	2.8
153.06845	1.3
155.03371	76.8
155.08514	2.4
156.03735	1.5
157.10106	10.1
161.05864	0.9
161.87547	0.5
163.03882	10.3
163.11124	0.6
164.04228	1.9
165.05508	0.7
165.09087	5.9
165.12729	2.9
167.07008	1.1
167.08524	0.9
168.09328	1.6
169.10124	0.8
170.05721	100.0
171.06053	1.5
175.11168	10.5
179.07007	5.6
181.04932	7.9
181.06406	1.0
181.10077	0.8
183.06534	4.9
183.07988	0.9
183.11681	1.9
193.08543	0.8
193.10286	1.1
193.12212	21.8
194.12506	0.5
196.07288	14.1
196.08853	1.0
205.98697	0.6
211.05911	1.0
211.07542	2.5
211.09592	9.3
211.11227	2.3
211.13095	10.4
211.15051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03939	5.5
54.08322	0.9
55.01866	7.2
55.05503	46.6
56.96549	3.0
57.03429	14.6
57.07055	2.4
59.04992	2.1
65.03934	1.3
67.05495	38.3
69.03425	13.7
69.07059	15.1
71.04980	6.0
71.14990	1.7
71.15316	1.5
73.16839	1.1
79.05482	36.9
81.03408	100.0
81.07047	52.2
81.07544	2.1
83.04971	50.2
83.08612	30.9
85.02906	2.3
85.06523	3.5
91.05470	40.6
93.07030	22.9
95.04952	38.7
95.08600	24.3
95.71049	1.2
97.02853	5.1
97.06517	8.3
97.10161	9.7
97.99180	1.0
98.06058	1.3
99.08071	2.1
105.07017	29.8
107.04939	9.3
107.08592	12.6
109.06490	9.2
109.10142	7.2
109.46215	0.9
111.04423	3.6
111.08067	11.1
113.05985	2.1
115.05441	2.0
116.00252	1.4
117.07012	2.2
119.04909	1.1
119.08559	21.2
121.06510	1.6
121.10135	14.9
123.04441	1.9
123.08075	6.4
123.11665	3.0
125.05968	2.9
125.09617	3.1
127.07564	1.2
129.06992	15.0
131.08559	11.9
133.06525	5.4
133.10118	12.2
137.06006	1.8
137.09586	3.7
137.13223	3.8
138.78188	1.2
141.06990	2.6
142.07733	5.6
143.08533	2.2
145.10109	1.8
147.07985	4.6
147.11681	19.1
149.09576	9.0
151.07458	1.8
151.11171	2.1
153.06966	3.4
154.07765	1.8
155.03432	1.3
155.08525	7.4
157.10109	18.2
165.12799	5.9
167.08514	3.0
167.10727	2.4
168.09341	4.8
169.10088	8.0
175.11174	18.0
175.14728	1.8
178.07707	1.5
181.04971	1.5
181.06506	1.4
181.10107	4.0
182.10858	1.0
183.06528	1.6
183.08061	2.1
183.11674	8.8
193.10289	2.7
193.12202	35.4
196.08812	2.2
196.12424	2.6
205.98875	1.3
211.05753	1.2
211.07866	4.8
211.09360	1.8
211.11162	13.1
211.13243	15.8
211.14861	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03938	0.9
53.42117	0.2
53.61933	0.2
55.01858	1.5
55.05503	4.3
57.03428	3.6
57.07082	0.5
59.04984	0.3
65.03931	1.2
67.05499	5.3
69.03424	2.5
69.07064	1.4
71.04978	1.2
71.74537	0.4
79.05482	5.1
80.05012	0.4
80.05820	0.6
80.06252	0.3
81.03408	12.2
81.07041	5.2
83.04971	4.5
83.08610	3.3
85.02886	0.6
85.06533	0.6
91.05469	17.2
92.05794	0.5
93.03434	0.4
93.07027	3.7
95.04955	5.4
95.08585	3.4
97.02879	0.9
97.06511	1.1
97.10160	1.1
99.04435	0.6
99.08070	0.3
103.05447	0.9
105.03418	0.3
105.04491	0.3
105.07018	4.9
107.04977	1.7
107.08582	1.8
108.05781	0.6
109.02861	19.9
109.06502	2.6
109.10139	2.3
110.03183	0.3
111.04417	0.6
111.08057	1.1
112.01583	0.7
115.05441	0.5
117.06963	0.3
118.04151	0.4
119.04932	15.2
119.08561	3.2
120.05305	0.4
121.06470	1.1
121.10119	1.6
123.04423	2.3
123.08059	2.7
123.11677	0.7
125.02340	0.4
125.05974	0.4
125.09612	2.8
127.03892	2.7
129.06956	1.3
131.08568	1.5
133.06456	2.3
133.10127	1.5
135.04433	1.3
135.08002	0.4
135.11699	0.5
136.05269	1.4
137.02319	2.4
137.05962	5.1
137.09579	1.6
137.13216	0.3
139.11165	0.9
141.07004	0.6
142.07762	0.5
145.10161	0.3
147.04393	11.0
147.08098	0.4
147.11678	2.3
149.05943	0.4
149.09596	0.8
150.06406	0.6
151.03958	0.5
151.07527	7.6
151.11145	0.3
153.05463	1.3
153.06902	0.5
155.03369	76.4
155.08389	1.2
156.03716	0.8
157.10112	1.4
161.05951	0.5
163.03879	6.0
164.04210	2.0
165.05431	0.6
165.06906	0.4
165.09096	3.9
165.12749	0.6
167.07013	0.5
167.10643	1.1
168.09303	0.9
169.10103	0.7
170.05717	100.0
171.06102	1.6
175.11192	1.8
175.14813	0.4
177.05469	0.3
178.05925	0.3
179.07002	6.2
180.07442	0.3
181.04950	5.1
181.10088	0.5
183.06493	3.2
183.07971	0.4
183.11655	1.1
193.04887	0.3
193.08533	0.7
193.10335	0.5
193.12186	3.5
193.15823	0.3
196.07266	10.0
196.12492	0.4
211.05894	0.4
211.07507	0.9
211.09576	6.1
211.11209	1.2
211.13184	1.3
211.14824	1.0
221.10767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24054	0.4
53.03939	0.9
55.01869	1.4
55.05510	5.3
57.03430	3.7
59.04993	0.6
61.31508	0.4
65.03935	1.6
67.05500	6.0
69.03410	2.2
69.07053	2.0
70.09965	1.7
71.04969	1.2
79.05484	6.0
81.02930	0.7
81.03409	14.7
81.07046	6.7
83.04980	5.9
83.08609	4.4
85.02895	0.8
85.06535	0.8
91.05468	17.6
93.07035	4.6
95.04957	6.2
95.08577	3.3
97.02905	0.8
97.06523	1.3
97.10165	1.2
103.05444	0.9
105.07009	4.8
107.04956	1.8
107.08559	2.1
108.05783	0.7
109.02864	16.6
109.06463	2.4
109.10136	1.9
111.04425	0.6
111.08028	1.3
112.01540	0.6
115.05434	0.4
118.04103	0.5
119.04929	15.5
119.08552	3.1
120.05280	0.6
121.06517	0.7
121.10122	1.4
123.04451	3.0
123.08042	2.4
123.11678	0.7
125.05931	0.8
125.09641	2.2
127.03902	2.7
129.06987	1.5
131.08530	0.9
133.06499	2.2
133.10068	1.8
135.04413	1.4
136.05132	1.0
137.02333	2.7
137.05977	5.1
137.09608	1.7
139.11201	0.7
147.04387	11.5
147.07999	0.5
147.11665	1.6
149.05943	0.6
149.09656	1.1
150.06635	0.5
151.07533	8.3
151.11151	0.8
153.05455	1.8
153.06940	0.7
155.03371	75.2
155.08525	1.1
156.03734	1.2
157.10088	1.9
161.06027	0.6
163.03876	5.2
164.04198	2.2
165.05446	0.5
165.09103	3.6
167.08546	0.6
167.10631	0.8
168.09297	0.9
169.04887	0.5
169.10043	0.8
170.05722	100.0
171.06023	1.1
175.11188	2.1
178.05817	0.6
179.03433	0.5
179.07043	6.0
181.04951	4.8
181.06427	0.8
181.10069	0.7
183.06502	3.5
183.11685	1.5
193.10381	0.6
193.12209	3.6
193.15744	0.6
196.07262	11.5
197.07565	0.5
202.46964	0.5
211.07637	0.9
211.09589	6.7
211.11247	1.2
211.13226	1.2
211.14894	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96313	0.4
55.01867	0.8
56.08803	0.3
57.03424	0.7
65.03941	1.2
67.05492	1.0
69.84472	1.8
69.84886	0.7
79.05486	2.2
80.05828	0.6
81.03410	2.7
81.07050	1.0
83.04977	0.3
83.08650	0.6
83.17004	0.3
83.30238	0.3
85.70360	0.3
91.05470	14.5
92.05814	0.5
93.03393	0.6
93.07037	1.2
94.44110	0.3
95.04986	1.7
95.08585	0.5
103.05466	0.9
105.06999	2.2
107.04935	1.2
108.05239	0.6
109.02866	17.5
109.06546	0.5
112.01576	0.4
118.04142	0.8
119.04933	16.5
119.08603	0.5
121.06501	0.7
123.04448	2.8
123.08054	1.6
127.03919	1.9
133.06491	2.0
133.25400	0.4
135.04428	1.5
136.05142	1.4
137.02319	2.5
137.05968	6.5
137.09618	1.5
147.04404	12.0
148.04720	0.4
150.06573	0.5
151.07523	7.9
153.05457	2.0
155.03372	72.4
156.03712	1.5
161.05971	0.4
163.03876	6.6
164.04367	1.1
165.09079	5.8
166.91615	0.4
170.05722	100.0
171.06091	2.1
179.07010	5.5
181.04941	7.8
181.06432	0.7
183.06516	5.0
193.08551	0.6
196.07288	17.9
211.09604	11.1
211.12869	0.5
234.78639	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
50.03585	0.5
51.02377	0.7
53.00309	0.6
53.03930	1.8
55.01851	2.1
55.05508	4.2
56.96556	1.6
57.03417	1.7
57.71505	0.5
65.03935	3.4
66.04703	0.9
67.05497	6.9
68.99778	2.0
69.03415	2.6
69.07046	2.7
70.35904	2.5
71.04995	0.9
71.19875	0.6
79.05478	10.5
80.02620	1.1
80.06263	0.6
81.03406	9.8
81.07048	7.6
82.40784	0.6
83.04977	4.1
83.08597	3.1
85.02890	1.4
85.06562	0.8
91.05474	30.9
93.03392	2.0
93.07049	3.7
94.04189	1.4
95.04958	12.2
95.08595	4.5
95.38468	0.5
97.06500	1.7
97.10155	1.9
98.06102	0.6
103.05460	2.4
105.03372	5.9
105.04485	0.8
105.07025	13.9
107.04946	7.3
107.08571	2.3
108.05697	1.1
109.02874	4.4
109.06512	7.2
109.10136	2.4
110.03632	1.3
110.85004	0.6
111.04411	1.4
111.08064	1.4
115.05445	0.8
115.84457	0.6
116.00196	0.5
118.04162	1.0
119.04932	32.4
119.08578	3.8
121.06487	2.5
122.03625	1.7
122.07317	0.9
123.04412	18.6
123.08044	2.7
125.02296	1.0
125.05972	8.8
129.06984	1.0
131.08524	1.1
133.06487	8.0
133.10112	2.3
135.04379	9.3
135.11739	0.8
136.05167	2.6
137.02373	0.9
137.05963	35.5
137.09587	7.0
138.06274	0.9
139.03888	0.7
140.04619	0.9
142.07750	0.7
147.04395	39.0
147.11664	1.4
148.04837	0.7
149.02287	1.4
149.05972	0.9
149.09589	0.8
150.06737	1.8
151.03926	3.1
151.07527	10.9
152.06194	0.7
153.05460	17.6
153.06839	1.6
155.02161	1.3
155.03378	18.8
155.08516	2.7
157.10092	2.1
160.05203	0.8
161.05983	2.7
163.03886	50.4
164.04466	2.5
165.05382	1.9
165.06967	1.3
165.09093	30.2
167.03357	0.9
167.08528	1.8
168.04170	1.8
168.09315	2.4
169.10143	3.9
170.05730	28.5
175.11180	1.4
175.14775	1.6
177.05441	1.3
179.03413	0.6
179.05780	0.7
179.07051	8.1
181.01537	1.2
181.04942	49.6
181.10150	1.9
182.05391	1.2
182.11038	0.7
183.06508	27.0
183.08136	1.3
183.11635	3.0
184.06834	0.8
193.04956	0.9
193.08553	1.4
193.10146	1.3
193.12239	2.6
196.03706	2.9
196.07292	100.0
196.12239	2.9
197.07637	2.5
205.98840	0.8
211.06158	5.2
211.07787	2.4
211.09584	48.4
211.14911	4.8
211.16682	1.0
212.09918	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
54.03090	1.0
55.01852	2.1
55.05496	5.0
57.03428	84.1
60.46106	1.0
65.03915	2.5
67.05498	6.0
69.03416	2.9
69.07030	2.8
69.58411	8.7
71.04966	2.0
79.05489	7.9
81.03402	11.3
81.07062	7.3
83.04973	5.5
83.08588	4.6
85.02873	1.0
85.06532	1.6
91.05475	20.7
93.07032	5.1
95.04954	8.9
95.08587	5.9
97.02913	1.2
97.06543	1.8
98.21427	1.5
99.04443	1.3
105.03335	1.1
105.07005	4.4
106.06551	1.3
107.04948	2.7
107.08570	2.5
109.02866	18.9
109.06487	3.7
109.10154	3.3
111.04455	1.2
111.08070	1.9
119.04935	14.6
119.08575	7.5
121.06464	1.9
121.10100	1.5
123.04391	4.8
123.08035	3.8
123.11658	1.2
125.02328	1.6
125.09569	1.7
127.03893	4.7
129.06987	1.3
133.06419	2.8
133.10074	2.5
135.04385	3.6
135.11636	2.0
136.05026	1.2
137.02307	3.0
137.05988	9.1
137.09563	3.2
139.11090	1.2
140.04680	1.9
147.03259	1.6
147.04372	12.5
147.07988	1.0
147.11658	1.9
148.04825	1.6
151.03888	1.7
151.07527	8.2
151.11145	1.4
153.05475	2.0
153.07040	1.8
154.07776	1.5
155.03368	68.1
155.07018	7.3
155.08415	2.4
156.03735	1.3
157.10086	1.6
163.03902	8.4
163.14748	1.6
164.04251	4.1
165.09109	5.5
167.07097	1.8
167.08479	1.3
167.10611	1.1
168.09331	2.6
169.10107	1.4
170.05722	100.0
171.06006	3.0
175.11160	3.0
179.06978	6.8
179.24409	1.2
181.04970	7.1
181.06325	1.9
181.10065	1.3
183.06560	5.5
183.07961	1.4
183.11601	3.7
193.10164	1.7
193.12149	3.6
196.07263	20.2
196.39983	1.1
211.07652	1.6
211.09583	16.5
211.11279	3.5
211.13002	1.7
211.14862	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01859	1.7
55.05502	7.2
57.03428	2.1
59.04977	0.5
64.52631	0.3
65.03931	1.3
67.05493	7.0
68.99768	0.4
69.03419	2.6
69.07056	2.6
70.06573	0.5
71.04980	1.6
71.24213	0.8
79.05484	9.2
80.05817	0.6
80.06252	0.4
81.03405	18.7
81.06599	0.6
81.07044	10.1
83.04963	9.1
83.08605	6.0
85.02888	0.8
85.06523	0.9
91.05465	23.1
92.05797	0.5
93.03415	0.5
93.06473	0.6
93.07021	4.6
95.04948	7.9
95.08585	3.7
97.02871	0.9
97.06502	1.4
97.10150	1.1
99.08082	0.4
103.05445	1.4
104.28751	0.3
105.03345	0.5
105.07014	8.1
107.04958	3.0
107.08569	2.7
108.05165	0.5
108.05795	0.5
109.02857	17.6
109.06499	3.2
109.10140	1.3
110.03215	0.3
111.04427	0.8
111.08066	1.3
112.01591	0.6
113.05964	0.5
114.05492	0.3
114.67335	0.3
115.05392	0.7
118.04153	0.9
119.04924	16.7
119.08560	5.5
121.02923	0.4
121.06466	1.1
121.10113	2.3
122.06747	0.3
123.04410	3.5
123.08054	2.4
123.11706	0.9
124.03743	0.3
125.02380	0.5
125.05961	0.6
125.09626	1.1
127.03901	2.1
128.06218	0.4
129.06972	3.2
131.08557	2.8
133.06482	2.9
133.10144	1.8
135.04413	2.0
135.08017	0.7
135.11652	0.3
136.05191	0.9
137.02309	2.5
137.05954	7.6
137.09596	2.2
142.07727	0.5
142.31427	0.3
145.91614	0.3
147.04384	13.8
147.08023	0.8
147.11655	4.5
148.04709	0.5
149.05913	0.5
149.09570	1.4
150.06345	0.6
151.03845	0.8
151.07510	8.0
151.11108	0.7
153.05443	2.3
153.06815	0.6
155.03362	77.5
155.08488	1.0
156.03697	1.2
157.10077	3.5
161.05977	0.5
163.03876	9.1
164.04185	2.5
165.05470	0.8
165.09073	4.9
165.12709	1.3
167.07037	0.6
167.08440	0.5
168.09296	0.5
169.04901	0.4
169.10097	0.7
170.05711	100.0
171.06036	1.5
175.11163	3.6
178.05927	0.5
179.05586	0.5
179.07021	5.9
181.04941	8.6
181.06346	0.4
183.06502	5.5
183.08018	0.3
183.11667	0.9
184.06613	0.3
185.99203	0.3
193.08586	0.5
193.10368	0.5
193.12193	5.6
196.07266	18.2
197.07631	0.4
211.07545	0.8
211.09538	9.9
211.11003	0.6
211.12869	2.3
211.14806	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01862	2.0
55.05505	8.3
56.96549	1.0
57.03430	42.5
65.03931	1.2
67.05490	8.4
69.03413	3.2
69.07043	2.4
71.04967	0.9
71.20509	1.0
71.20825	1.1
79.05486	8.1
80.06242	0.9
81.03408	20.7
81.07048	7.0
81.62511	1.0
83.04965	6.8
83.08609	4.3
83.30715	0.8
85.06483	1.0
91.05470	21.7
93.07035	6.2
95.04960	8.6
95.08604	4.5
97.06508	2.0
97.10165	2.2
103.05492	1.0
105.07033	7.2
107.04956	2.6
107.08561	2.5
109.02866	14.4
109.06510	3.4
109.10136	1.8
111.04408	0.9
111.08067	1.5
119.04929	18.2
119.08566	5.6
121.06499	1.8
121.10110	1.1
123.04408	6.0
123.08042	3.8
127.03899	2.8
129.06966	2.0
131.08572	2.9
133.06468	2.9
133.10126	2.8
135.04417	3.2
136.05142	1.4
137.02309	1.9
137.05971	8.8
137.09608	3.7
142.07803	1.3
147.04395	16.2
147.08028	1.3
147.11659	3.5
151.07530	7.7
153.05421	4.0
155.03371	67.6
155.06960	3.4
155.08401	1.0
157.10095	2.9
161.05864	1.0
163.03899	11.4
163.88812	0.9
165.09099	7.5
168.09421	0.9
170.05722	100.0
171.06036	2.2
175.11156	3.6
179.07005	6.2
181.04927	10.9
183.06488	5.3
183.07957	2.0
183.11685	1.4
193.08499	1.0
193.12241	6.0
196.07269	23.2
211.07544	4.9
211.09637	17.1
211.13326	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	0.7
53.03935	1.1
55.01864	1.1
55.05495	2.4
57.03432	20.8
63.27129	0.5
65.03925	1.4
67.05490	3.8
69.03417	1.5
69.07048	2.3
70.66991	0.6
70.90132	1.5
71.04983	1.3
75.18616	0.5
79.05487	5.1
80.05812	0.6
81.03404	5.9
81.07057	4.7
83.04960	2.4
83.08611	1.6
85.02895	0.9
85.06541	0.7
91.04918	0.9
91.05471	16.7
93.07029	2.5
95.04954	4.8
95.08587	2.6
97.06512	1.5
99.04422	0.7
103.05434	0.9
105.07011	4.9
107.04917	1.6
107.08558	1.6
108.05228	0.7
109.02859	17.2
109.06487	1.8
109.10142	1.3
111.04421	1.0
111.08012	1.0
112.01549	0.6
119.04150	1.1
119.04939	17.5
119.08567	2.5
121.06487	1.1
121.10138	1.5
123.04407	2.5
123.08015	1.9
123.11684	1.4
125.02347	0.7
125.05960	0.8
125.09588	1.4
127.03874	2.6
131.08575	1.3
133.06479	3.0
133.10107	1.7
135.04367	1.5
135.11700	0.8
136.04965	0.8
137.02301	2.7
137.05960	6.7
137.09589	2.2
147.04388	13.3
147.08012	0.6
147.11647	2.1
151.07533	8.3
153.05418	1.7
153.07004	0.9
155.03371	67.2
155.08521	1.9
156.03677	1.7
157.10069	1.2
159.60616	0.7
161.05978	0.8
163.03865	7.8
164.04268	2.5
165.06993	0.8
165.09099	5.0
165.12828	0.8
167.07066	1.0
168.09366	1.4
170.05722	100.0
171.06052	2.1
175.11154	1.5
179.06989	8.3
180.07439	0.7
181.04930	7.1
183.06505	4.8
183.08113	1.6
183.11658	2.0
193.10327	0.9
193.12247	1.9
193.17076	1.0
196.07257	15.0
196.08998	1.3
211.07507	2.3
211.09595	12.1
211.11270	1.7
211.13089	1.4
211.14917	0.8
233.87743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
51.60177	0.2
53.03925	0.9
55.01847	0.6
55.05484	0.9
56.94296	0.2
56.96535	0.9
57.03409	0.7
57.07050	0.5
61.02921	0.4
65.03918	0.6
66.04699	0.3
67.05486	1.3
68.05021	0.4
69.03412	1.3
69.07053	0.5
70.06570	0.9
70.95841	0.3
71.04958	0.8
71.73642	0.3
71.74038	0.4
72.08141	0.5
72.93764	0.3
73.02885	0.5
77.55806	0.3
78.04701	3.2
79.05474	2.6
80.04977	0.3
81.03391	1.6
81.07043	1.3
83.04952	0.5
83.08627	0.6
85.02891	1.3
85.06480	0.3
90.94814	0.4
91.05466	3.8
93.03400	0.3
93.07038	2.5
93.79178	0.3
94.04166	0.4
95.04961	3.0
95.08575	0.9
96.05695	0.4
97.02869	1.5
97.06490	0.5
98.06003	0.4
98.97569	0.7
99.04420	0.5
99.08044	0.5
103.05456	2.0
105.03378	0.8
105.07008	2.2
106.04144	2.0
107.04942	1.3
107.08533	0.3
109.02849	0.8
109.06492	1.1
109.07629	0.4
109.10114	0.8
110.06046	0.3
110.97501	0.3
111.04435	0.6
111.08037	0.3
116.96369	0.3
116.98585	0.7
119.01806	0.4
119.04882	0.7
119.08558	0.8
120.08130	0.3
121.06480	3.7
121.10111	0.5
122.03612	0.6
123.04412	9.4
123.08028	0.6
124.05196	3.4
125.02291	0.5
125.05971	0.4
126.53984	0.3
127.03904	0.4
128.98584	0.4
131.01714	0.3
133.02818	0.4
133.06473	0.9
133.10081	0.3
134.03575	0.7
134.97391	0.4
135.04391	0.6
137.05971	1.9
137.09637	0.4
141.06926	0.3
143.08524	0.3
145.04980	0.3
146.99614	0.6
147.04385	0.4
147.08070	0.4
149.05965	5.8
149.07149	0.3
151.03882	2.7
151.07523	0.7
151.11076	0.3
152.04636	2.0
153.06879	0.6
155.08502	0.9
157.10071	0.4
161.05965	1.1
163.04008	0.3
163.97647	0.4
165.05411	0.6
165.06882	0.4
165.09108	0.7
166.06206	1.1
167.07010	100.0
168.04153	0.4
168.07332	2.0
168.09325	0.6
169.10098	0.4
175.11165	0.3
179.03384	0.4
179.07059	0.5
180.07811	0.4
181.08598	5.1
181.10094	0.4
183.06451	0.7
183.11646	1.7
193.04904	0.7
193.08557	1.5
193.10056	0.5
193.12224	0.3
196.07242	0.4
196.08855	0.4
197.04439	0.2
198.78224	0.3
205.98726	0.6
211.05881	0.4
211.07614	0.7
211.09560	1.0
211.11234	1.6
211.15173	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	25.4
69.53609	100.0
69.54028	43.5
73.02908	17.3
85.02888	27.6
94.93038	22.7
97.02917	20.9
98.97598	33.8
112.89606	23.9
114.62669	17.3
116.98616	24.4
119.01868	32.8
120.94540	29.8
173.44458	18.5
210.94054	56.9
217.82074	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.4
53.03942	1.8
55.01867	1.6
55.05504	2.8
57.03431	1.1
57.07070	0.9
65.03931	12.3
67.05497	6.5
68.99786	1.9
69.03423	0.6
69.07054	2.7
69.92500	2.6
71.04994	1.0
77.12499	0.5
79.05481	4.5
81.03410	5.2
81.07051	5.4
82.04184	2.5
83.04971	3.4
83.08617	2.1
85.02872	0.8
85.06509	0.8
87.38424	0.4
91.05470	5.1
92.02615	1.8
93.03387	4.5
93.07032	4.2
94.04169	1.5
95.04958	26.2
95.08626	2.1
97.02890	0.8
97.06539	2.5
97.45786	0.4
101.30181	0.5
105.07019	6.6
107.04916	1.1
107.08572	1.9
108.02073	2.2
109.02883	1.1
109.06503	2.3
109.10141	2.0
110.03648	21.0
111.04430	14.9
111.08053	0.9
112.05243	0.5
119.08575	3.1
121.10133	1.2
123.00764	0.5
123.04417	10.8
123.08018	1.0
123.11646	1.0
124.05206	0.7
125.02359	3.9
125.05975	100.0
126.06276	1.3
127.07514	0.9
128.06131	0.5
129.07031	1.0
131.08527	1.0
133.06412	0.6
133.10115	10.9
135.05484	1.2
137.02289	0.8
137.05954	2.1
137.09628	0.9
140.03619	0.8
140.04671	7.1
141.05432	4.1
141.07008	1.0
143.08589	0.5
147.11653	3.9
149.09573	1.0
151.07486	0.8
151.11172	6.4
153.01837	5.5
153.05452	43.7
154.05841	0.6
154.07693	0.4
155.03432	1.0
155.07013	4.5
155.08521	3.0
157.10106	1.2
165.06984	2.0
165.12735	0.8
166.07706	0.6
167.03345	0.8
167.08572	1.3
168.04170	9.1
168.09348	1.4
169.10080	4.1
170.05730	0.5
175.11157	1.7
180.09312	1.0
181.01346	1.1
181.04965	2.2
181.10081	5.6
182.10854	0.8
183.06503	19.3
183.11627	2.5
189.80299	0.5
193.10118	1.2
193.12206	5.0
195.11691	1.4
196.03642	2.9
196.12448	11.2
211.05971	30.0
211.07492	1.2
211.11125	2.8
211.13173	2.5
211.14850	15.5
225.36462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	0.9
55.01854	2.0
55.05506	2.0
57.03434	0.9
57.07065	5.2
58.01894	0.4
65.03940	0.8
67.05495	4.8
69.03400	1.4
69.07048	2.5
71.04992	3.1
71.54062	0.5
71.54385	0.5
78.41286	0.3
78.98488	0.3
79.05480	5.8
81.03413	0.6
81.07043	9.5
83.04964	1.5
83.08599	1.1
85.06519	1.0
91.05467	4.8
93.03402	0.4
93.07033	6.9
95.04958	4.9
95.08589	9.7
97.06519	1.5
99.08079	0.6
103.05460	0.5
105.07030	4.8
106.04189	0.7
107.04945	1.1
107.08586	7.3
109.06503	100.0
109.10140	10.1
110.06841	2.2
111.04433	0.5
111.08067	1.5
115.05398	0.5
117.07004	2.0
119.04900	0.4
119.08566	2.0
121.06484	2.4
121.10112	3.4
123.08057	10.6
123.11688	1.0
125.06002	0.7
125.09611	0.6
129.07059	0.4
129.67737	0.4
131.08551	5.3
133.06383	0.4
133.10094	2.6
135.08037	21.8
135.11696	1.9
136.08450	0.6
139.11169	0.5
143.08549	0.6
145.10085	2.8
147.08022	0.8
147.11682	1.4
149.05986	1.2
149.09605	2.8
149.13263	1.7
150.10410	1.2
151.07561	0.6
151.11186	1.6
153.09064	3.4
158.10910	1.0
161.09673	0.5
163.11206	1.6
163.14816	0.9
165.12788	1.4
167.14078	0.4
168.04185	0.5
173.13235	5.4
176.11911	0.6
177.05428	1.2
191.07007	0.7
191.14284	16.8
192.14630	0.5
198.43375	0.4
209.04457	1.0
209.07933	0.5
209.09789	0.5
209.11638	0.8
209.15329	7.1
210.04944	0.5
210.11215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03922	3.3
55.01622	1.7
55.01867	13.5
55.05271	1.4
55.05505	15.6
56.96544	1.5
57.03406	4.1
57.07068	17.5
61.02918	1.4
65.03921	6.3
67.05497	21.7
68.99771	3.2
69.03414	5.4
69.07060	26.8
71.01353	3.6
71.04657	1.7
71.04987	19.5
71.07929	3.1
76.00961	1.6
79.05480	17.6
81.03390	5.1
81.06606	2.2
81.07054	33.9
83.04982	13.9
83.08618	15.2
84.08113	2.5
85.06536	36.8
91.05476	24.6
93.03369	5.4
93.07034	37.4
95.04958	15.3
95.08599	29.2
97.06528	20.0
99.04411	4.6
99.08087	10.4
103.05430	4.9
105.07015	32.6
107.04960	7.8
107.08581	48.0
109.02849	5.9
109.06508	64.9
109.10151	54.4
110.03629	4.1
111.04435	20.5
111.08047	9.5
112.23313	1.7
113.06009	1.8
113.09631	7.0
115.05407	3.5
116.06228	3.1
117.06976	4.3
117.95914	2.5
119.04931	5.1
119.08558	11.2
121.06486	10.5
121.08394	1.6
121.10136	23.8
123.08061	14.7
123.11685	13.6
125.05978	16.3
125.09629	8.0
129.07022	3.1
131.04900	7.5
131.08553	25.0
133.02829	2.2
133.06441	4.0
133.10115	100.0
134.07222	2.2
134.10452	2.3
135.04335	4.7
135.08029	16.5
135.11638	6.1
135.96991	1.9
136.76645	1.5
137.09581	1.6
143.08496	2.6
145.02814	2.0
145.10130	8.4
147.04413	7.9
147.11681	12.9
148.05095	2.4
149.05978	7.2
149.09604	10.4
149.13248	31.5
151.07515	5.3
151.11163	82.6
152.06245	2.1
152.11513	2.6
153.05458	57.0
153.09103	8.3
158.10849	5.6
161.05919	2.6
161.89084	1.6
162.06744	3.0
163.03880	3.5
163.07532	8.3
163.11139	6.1
163.14767	7.0
165.05527	2.7
165.06906	3.4
165.12718	3.4
166.06271	2.3
166.07648	2.3
167.08456	1.9
167.10561	1.6
167.14290	4.4
168.07809	76.8
169.08160	2.4
173.09674	2.0
173.11870	2.3
173.13257	36.1
177.05397	5.1
177.09065	3.8
178.09807	4.4
179.06998	7.9
179.08530	5.7
181.06441	1.6
181.08502	7.9
181.09891	1.7
181.12184	6.6
191.06902	4.0
191.10696	6.9
191.14281	28.3
192.14697	1.9
194.09373	39.7
194.10924	2.7
209.04219	7.3
209.05978	9.4
209.08055	5.2
209.09595	5.4
209.11617	31.0
209.13348	5.0
209.15309	56.4
209.55045	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.51990	0.6
53.03921	0.6
55.01858	3.0
55.05495	3.3
57.03412	1.0
57.07064	5.5
59.05008	0.8
65.03909	0.8
67.05490	5.2
69.03416	1.8
69.07053	3.7
69.67139	2.1
69.67560	2.8
71.04992	3.2
71.05310	0.7
79.05466	5.6
81.07044	8.1
83.04960	2.6
83.08607	1.3
85.02892	1.0
85.06506	1.2
89.82030	0.6
91.05470	5.7
91.45148	0.6
93.07029	6.9
93.53979	0.6
95.04942	8.4
95.08598	6.5
97.02856	0.7
97.06512	2.1
98.96841	0.6
98.97511	0.6
103.05445	1.1
105.07015	5.5
106.04131	1.0
107.04960	1.2
107.08580	9.5
109.06499	100.0
109.10143	7.9
110.06854	2.1
111.04417	0.7
111.08057	1.8
113.09597	0.7
115.05447	0.7
116.06169	0.6
117.07002	2.7
119.08554	1.8
121.06481	4.0
121.10103	4.3
123.08054	9.3
123.11674	0.9
125.05952	1.1
125.09599	1.4
129.06967	0.9
131.04916	1.2
131.08545	6.1
133.10101	2.5
135.08029	23.2
135.11664	2.4
136.08452	0.7
139.07529	1.2
145.10097	2.4
147.11674	1.0
149.05962	2.3
149.09583	3.4
149.13232	1.8
150.10410	1.2
151.11143	1.6
153.09084	4.5
158.10893	0.9
163.07520	0.9
163.11160	1.4
163.14828	0.9
165.12735	3.5
173.13298	4.2
177.05464	2.2
179.08504	0.8
181.06471	0.6
181.10056	1.2
191.14272	16.1
194.10939	1.0
209.04417	3.0
209.06177	1.2
209.08020	1.3
209.09755	1.6
209.11728	1.6
209.13333	2.2
209.15280	15.4
209.17245	1.0
210.15669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.22888	0.3
53.03942	0.5
55.01863	0.7
55.05504	1.4
57.03444	0.4
57.07070	4.7
67.05494	3.2
69.03416	1.2
69.07062	2.4
71.04979	2.1
71.54404	0.7
79.05485	3.6
81.03394	0.4
81.07046	5.8
83.04970	0.8
83.08607	1.2
85.02895	4.4
85.06541	0.7
91.05466	3.4
93.03397	0.5
93.07047	3.8
95.04958	3.7
95.08606	4.4
97.06516	1.2
100.07725	0.3
103.05467	0.5
105.07030	3.7
106.04221	0.6
107.04950	0.7
107.08585	5.1
108.72959	0.4
109.06508	100.0
109.10143	5.8
110.06839	1.8
111.04456	0.5
111.08071	1.0
117.07015	0.5
119.08588	1.2
120.54461	0.4
121.06505	2.0
121.10123	3.6
123.08051	9.4
123.11693	0.7
125.09631	0.7
131.08549	4.3
133.10117	2.9
135.08038	18.2
135.11682	0.5
137.06030	0.5
139.11172	0.7
143.08498	0.5
145.10101	1.3
147.08064	0.5
147.11664	1.2
149.05965	1.2
149.09647	2.4
149.13254	1.6
150.10367	1.2
151.11169	5.9
153.07063	0.5
153.09099	4.2
158.10854	0.9
161.09645	1.2
163.11316	0.4
163.14844	0.6
165.12755	0.5
173.13240	4.9
173.95076	0.4
176.11928	0.7
177.05460	0.8
179.08652	0.3
191.14294	19.6
192.14661	0.5
209.04482	1.0
209.07982	0.5
209.09790	0.6
209.11740	0.5
209.13364	0.7
209.15338	10.5
209.17241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03937	1.6
55.01869	4.0
55.05500	4.1
57.03418	1.4
57.07064	4.3
65.03925	1.6
67.05498	5.8
69.03416	2.7
69.07068	3.3
69.64832	4.6
70.06580	1.7
71.04980	4.2
78.04691	1.2
79.05486	10.4
81.03396	2.8
81.07053	10.8
81.14484	0.7
82.04193	0.8
83.04987	3.7
83.08614	2.4
84.08131	2.3
85.02892	1.1
85.06521	1.4
91.05471	10.2
93.03402	2.1
93.07029	9.1
95.04957	9.6
95.08599	6.2
97.02885	1.9
97.06532	4.1
99.04453	1.8
103.05493	3.3
105.07029	5.7
106.04173	4.6
107.04970	5.1
107.08585	8.0
109.02917	1.1
109.06508	100.0
109.10139	7.5
110.06856	1.4
111.04448	2.6
111.08078	3.4
117.03322	1.4
117.07025	2.0
118.04173	0.7
119.04996	1.2
119.08582	2.5
121.06486	9.4
121.10143	4.2
123.04441	1.0
123.08062	10.5
123.11716	1.3
124.05195	0.9
125.06013	1.4
125.09586	0.9
131.04936	2.1
131.08565	5.8
133.06506	0.7
133.10124	6.5
134.03580	0.9
135.04395	2.8
135.08041	22.4
135.11632	1.7
136.08459	0.9
137.05963	1.3
137.09633	2.0
139.07533	2.2
143.08574	0.9
145.02847	1.0
145.10132	4.4
147.07997	1.2
147.11661	1.8
148.05164	1.1
149.05972	9.8
149.09631	4.3
149.13242	2.3
151.07524	1.0
151.11195	2.4
153.05536	1.0
153.09090	6.1
153.12701	0.8
158.10910	1.0
163.03888	5.7
163.07523	1.9
163.11174	2.7
163.14885	1.0
165.12746	0.9
167.07030	1.2
167.14406	0.8
173.09656	1.0
173.13240	6.3
177.05479	6.2
181.06477	0.7
181.08551	1.3
191.07068	1.8
191.10735	2.1
191.14294	18.7
194.02200	1.0
194.05736	0.6
195.06532	3.0
209.04396	5.8
209.06294	1.2
209.07831	4.1
209.09691	2.0
209.11507	4.9
209.15318	15.0
210.08934	1.1
225.32805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03917	0.6
55.01870	5.5
55.05506	3.3
56.96553	0.8
57.03435	1.0
57.07069	5.3
59.04992	1.1
67.05494	5.9
69.03414	1.9
69.07070	3.5
70.06575	1.1
71.01346	0.9
71.04977	2.6
71.28662	0.7
71.74441	0.9
79.05482	7.4
81.03414	1.5
81.07048	8.0
83.04975	3.4
83.08574	1.9
84.08103	1.4
85.02894	0.8
85.06548	1.4
85.41295	0.6
87.09859	0.6
91.05479	7.8
93.07040	7.6
95.04963	6.9
95.08588	6.5
97.02877	1.7
97.06513	2.4
99.04482	0.8
103.05450	2.1
105.07056	3.7
106.04147	0.9
107.04934	2.0
107.08588	10.5
109.06507	100.0
109.10140	9.5
110.06839	2.6
111.04408	1.6
111.08093	2.4
115.05441	0.9
117.07006	1.5
119.08564	2.4
121.06504	4.7
121.08374	1.0
121.10131	5.4
123.08057	10.3
125.06036	1.2
125.09622	1.9
131.08557	6.6
133.10114	3.1
135.04390	0.8
135.08040	24.5
135.11693	2.7
135.96933	0.7
139.11174	0.9
145.10101	3.5
147.08064	1.3
147.11694	1.0
149.05984	3.8
149.09628	4.3
149.13260	1.9
150.10265	0.8
151.11143	2.2
153.05536	1.1
153.09050	5.1
158.10817	0.9
163.03893	1.9
163.07500	1.1
163.11163	2.9
163.14877	0.8
165.07018	1.4
165.12746	1.5
166.07787	1.9
167.07103	0.7
173.13254	7.0
177.05418	3.2
179.08580	1.3
181.05051	0.7
181.06624	1.1
181.08556	1.2
181.10062	2.2
191.07056	1.5
191.10757	1.0
191.14301	18.0
194.07224	0.8
194.10986	1.4
194.12933	0.7
209.04399	4.5
209.06287	0.7
209.08011	2.0
209.09882	4.3
209.11656	1.4
209.13329	2.9
209.15379	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02361	0.8
53.03937	1.7
55.01868	3.8
55.05499	2.2
57.03432	3.3
57.07066	4.9
65.03922	1.6
67.05509	5.9
69.03406	1.7
69.07048	4.1
69.78634	5.2
71.04972	2.9
71.49558	0.8
78.04708	1.1
79.05468	6.6
81.03394	1.3
81.07061	7.6
83.04972	2.7
83.08609	1.6
84.08118	1.2
84.86234	0.8
85.02884	1.0
85.06523	1.2
89.03912	1.6
91.05465	9.9
93.03392	3.2
93.07030	10.1
94.04173	0.8
95.04951	9.0
95.08597	8.8
97.06537	3.1
98.20662	1.0
99.04468	1.2
103.05449	2.6
105.07002	4.9
106.04177	5.5
107.04936	2.5
107.08582	10.4
109.06504	100.0
109.10146	8.8
110.06873	1.8
111.04452	1.5
111.08061	1.3
112.79409	0.6
117.06997	2.0
119.08561	1.7
121.06501	9.2
121.10146	5.3
123.04446	1.0
123.08058	9.6
123.11704	1.4
125.05997	1.5
125.09634	1.2
129.07004	0.7
131.04898	2.1
131.08556	5.5
133.10132	3.6
134.03609	0.9
135.04417	1.3
135.07022	1.3
135.08043	21.9
135.11668	2.4
137.05952	1.2
139.07516	0.9
145.10139	4.0
147.04436	0.7
147.11697	2.7
148.05214	1.0
149.02426	0.8
149.05948	9.0
149.09631	5.1
149.13327	1.1
150.10365	1.5
151.07544	1.4
151.11191	2.8
153.09117	5.5
161.09651	1.0
163.03842	1.6
163.07553	1.5
163.11174	3.1
163.14919	0.9
165.09183	1.6
165.12753	4.0
166.02556	0.9
173.13235	6.6
177.05492	4.2
181.08569	2.1
181.10103	0.9
191.06999	1.6
191.10651	1.4
191.14285	16.4
194.05766	1.1
207.71178	0.6
207.89960	0.8
209.04391	5.7
209.06305	0.8
209.07903	4.1
209.09828	1.6
209.11690	1.6
209.13463	1.2
209.15352	13.8
209.17245	1.1
212.03160	1.0
219.42642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.117
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03928	4.6
53.37888	1.4
53.61113	1.3
55.01869	10.6
55.05508	9.9
55.44157	1.4
57.03415	2.7
57.07051	2.7
65.03918	2.9
67.05486	13.9
69.03399	2.4
69.07060	19.8
71.04987	26.2
71.20924	2.8
77.03915	1.4
79.05485	53.1
81.03397	4.2
81.07051	14.1
83.04971	12.7
83.08594	2.4
84.08115	3.1
90.64088	1.5
91.04923	2.1
91.05466	35.4
93.07037	44.4
95.04959	16.6
95.08580	4.0
97.02854	2.9
97.06519	10.4
97.77781	1.5
99.04375	2.2
103.05452	6.3
105.07029	26.9
106.04147	2.9
107.04941	27.4
107.08580	58.1
109.06530	9.2
109.10161	2.2
111.04413	6.3
111.08088	1.9
116.06196	2.9
117.07008	7.3
119.08580	11.0
121.05584	2.0
121.06490	40.0
121.10132	33.9
123.04355	3.5
123.08031	6.6
125.05953	10.6
125.09550	1.7
129.06943	4.4
130.07764	3.5
131.04887	3.1
131.08551	100.0
132.08839	2.0
133.02711	1.5
133.10100	3.2
135.04358	4.6
135.08009	5.4
135.11665	6.4
137.05977	1.5
139.07472	3.5
141.05424	2.7
143.08549	1.9
145.10114	40.1
147.04362	2.3
147.07976	5.5
147.11647	3.5
149.02254	2.8
149.05969	10.5
149.09610	81.3
149.13281	2.9
150.10011	2.5
151.07516	3.1
153.05466	13.5
153.09055	1.6
155.07007	2.4
163.03880	3.0
163.07477	2.9
163.11160	33.5
165.09038	4.2
167.07056	9.4
167.10661	4.2
173.09560	5.9
177.05518	7.2
191.06952	3.0
191.10655	34.5
191.14293	3.9
194.02029	3.1
209.04434	19.5
209.08038	4.8
209.09863	2.4
209.11681	56.1
209.15204	10.4
210.11803	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.117
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03923	2.4
55.01863	6.8
55.05506	14.8
56.96549	1.8
57.03419	3.1
57.07070	2.7
59.04977	1.8
64.73416	1.1
67.05490	12.8
69.03416	5.1
69.07056	19.8
70.06578	1.5
70.46735	3.9
71.04607	1.5
71.04980	24.7
74.33071	1.3
79.05019	2.3
79.05480	43.6
81.03409	2.7
81.07040	15.1
83.04964	31.2
83.08589	3.7
83.73113	1.3
84.08132	1.4
85.02890	1.4
85.06515	1.7
91.04916	1.7
91.05468	27.5
91.06031	2.2
93.07027	46.0
95.04384	1.8
95.04952	23.9
95.08596	7.2
97.02872	1.7
97.06524	11.3
99.04442	3.6
99.08070	1.2
103.05427	4.9
105.07016	31.7
107.04950	21.1
107.08575	60.6
109.06499	32.7
109.10145	7.7
111.04418	4.6
111.08046	2.6
113.09604	1.4
116.06191	1.6
117.07022	9.3
119.04951	1.8
119.08579	10.1
121.06490	40.6
121.10120	40.4
123.04420	1.9
123.08073	7.4
123.11684	2.2
125.05956	9.4
125.09596	4.2
129.06976	4.0
130.07753	2.8
131.08546	100.0
131.88940	1.0
132.08900	1.3
133.10133	6.1
135.04385	2.1
135.08055	7.8
135.11687	6.3
137.05992	2.4
139.07491	3.8
141.05467	3.0
143.08524	3.1
145.06453	1.5
145.10104	42.7
147.04425	6.8
147.07990	3.9
147.11678	4.5
149.05988	8.2
149.09599	82.6
149.13208	6.5
150.10011	2.0
151.07515	1.8
151.11139	5.5
153.05447	13.5
153.09071	7.3
163.07565	1.9
163.11159	29.8
163.14754	2.2
165.09079	4.1
167.07037	4.8
167.10625	4.8
167.14290	7.4
173.09572	3.5
173.13197	3.5
177.05544	1.7
181.40883	1.2
191.10649	35.6
191.14268	10.4
194.05696	1.5
209.04283	1.7
209.08322	5.1
209.11694	56.7
209.15242	17.7
221.70679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.117
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03919	2.8
55.01867	6.5
55.05503	6.9
57.03422	2.0
57.07041	2.1
61.47734	1.3
64.39172	1.2
65.03928	3.3
67.05495	21.3
69.03403	5.4
69.07055	10.2
70.34149	6.4
71.04659	1.6
71.04983	18.1
77.03921	1.8
79.05479	46.8
81.03389	3.6
81.07040	13.7
83.04968	12.8
85.06519	5.5
87.04460	1.6
91.05463	31.1
93.03352	1.5
93.07030	36.0
95.04951	16.3
95.08572	4.6
97.06498	6.8
99.04449	2.5
99.08076	1.4
103.05449	3.5
105.07015	27.4
107.04233	1.8
107.04936	30.0
107.08579	46.3
109.06503	9.2
109.10177	2.0
111.04455	6.3
111.08042	1.3
116.06206	1.6
117.07007	9.5
119.04864	1.3
119.08570	11.1
121.05637	1.0
121.06481	25.5
121.10123	30.1
123.04397	4.4
123.08042	3.8
125.05953	12.0
125.09608	9.6
128.06212	1.6
129.06944	9.5
130.07762	3.6
131.08545	82.4
135.04398	2.7
135.08022	6.7
135.11678	8.8
137.05946	2.2
139.07455	2.8
141.05374	1.7
143.08549	1.7
145.06448	3.8
145.10106	40.6
147.08022	8.6
147.11667	1.9
149.02347	4.4
149.05965	6.2
149.09592	100.0
150.09972	2.2
153.05428	9.3
153.09067	2.0
155.06940	1.6
155.08525	1.9
163.07541	6.3
163.11168	35.5
165.09096	19.5
167.06950	3.8
167.10674	13.3
173.09592	7.9
173.13222	3.1
177.05406	2.5
191.10643	54.0
191.14232	9.6
194.01984	2.3
209.04430	10.6
209.11699	64.0
209.15207	13.7
210.11963	1.9
218.17725	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39660	0.3
51.32148	0.3
51.49944	0.3
53.03933	0.3
55.01876	0.7
55.05491	0.3
55.81933	0.2
56.96550	0.4
57.03441	0.6
61.07979	0.2
63.87538	0.3
65.03931	5.2
65.94320	0.2
67.05493	1.2
69.03394	0.3
69.07074	0.4
71.04648	0.9
71.16091	0.3
79.05489	1.2
81.07047	0.5
82.04195	1.1
83.04979	0.5
88.97028	0.3
91.05469	5.0
93.03391	7.0
93.07036	1.0
95.01311	0.4
95.04967	1.0
95.08601	0.4
97.06520	0.6
102.04666	0.8
103.05452	3.0
104.06244	0.4
105.03373	0.8
105.07014	3.0
107.04959	1.4
107.08576	0.8
108.02113	0.4
109.02875	0.4
109.06505	1.4
109.10161	0.4
110.03639	6.2
111.04430	10.7
115.05424	0.9
116.06244	2.7
117.07000	0.9
119.04926	8.7
119.08565	0.3
121.06499	1.9
121.10101	0.3
123.04407	0.8
123.08054	1.2
123.11634	0.7
125.05972	12.3
125.09611	0.3
130.04124	0.4
131.04907	8.2
132.05692	0.9
133.02827	2.3
133.06473	6.3
134.06033	0.3
134.07257	1.5
135.04436	0.4
135.08057	1.3
136.05191	0.7
137.05974	0.6
138.03123	0.7
138.06802	0.3
138.56311	0.3
139.07545	0.6
144.05661	0.8
145.06503	0.5
145.10107	0.3
146.07245	0.5
147.04388	7.1
147.08015	1.2
149.05981	1.2
149.09668	0.3
149.13216	0.6
151.03993	0.3
151.07529	7.7
152.04680	1.1
152.06082	1.4
153.05449	65.2
154.05797	1.2
161.05988	2.1
162.06760	1.7
163.04002	0.3
163.07524	8.0
163.11139	0.6
163.14803	0.3
164.77670	0.3
165.05426	2.3
166.06223	0.9
167.07031	0.8
167.08398	0.3
168.07799	100.0
169.08192	1.8
173.41414	0.2
177.09062	1.9
178.09877	2.2
179.07018	9.6
179.08496	0.4
181.08594	2.6
191.14302	0.3
193.08627	0.6
194.09366	46.6
195.09715	1.2
209.06013	6.5
209.10017	0.4
209.11678	11.0
209.13150	0.6
209.15164	3.7
210.06316	0.6
210.12042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0443
Annotation	6,8-Dihydroxy-7-methoxycoumarin
Peak:m/z	Relative Intensity
53.03930	0.8
55.01862	2.5
55.05508	2.3
56.96544	1.2
57.03425	1.0
57.07070	0.6
65.03931	1.6
67.01888	0.3
67.05492	2.3
68.99786	0.4
69.03409	1.3
69.07057	4.4
70.06586	0.7
71.04980	5.3
71.14141	0.7
77.03919	0.5
79.05481	11.7
81.03397	0.4
81.07051	3.0
82.04202	1.5
83.04961	2.5
83.08590	0.3
83.32505	0.3
84.08129	1.0
85.02895	0.3
85.06540	0.3
89.03870	0.4
91.05470	7.4
93.03393	1.1
93.07036	9.2
94.85607	0.3
95.04965	4.1
95.08585	1.0
97.02863	0.5
97.06502	2.1
99.04443	0.6
103.05438	1.1
105.03417	0.4
105.07018	6.6
107.04219	0.7
107.04942	13.1
107.08583	11.4
108.72417	0.3
109.02876	0.6
109.06519	2.6
109.10147	0.8
110.03627	2.3
111.04429	0.9
111.08032	0.6
115.05399	0.3
116.06211	0.5
117.07012	1.7
119.04919	1.6
119.08556	2.1
120.02059	0.6
121.02849	3.7
121.05585	0.5
121.06486	9.1
121.10131	7.6
123.04405	0.8
123.08038	1.0
125.05977	2.9
125.06847	0.4
125.09617	1.1
129.06990	0.9
130.07799	0.6
131.04866	0.7
131.08553	19.0
133.02837	0.4
133.06564	0.5
133.10101	0.8
135.04391	9.3
135.08041	1.0
135.11665	1.4
137.05928	0.7
138.03110	3.9
139.07527	0.8
141.05443	0.6
141.44194	0.3
143.08521	0.6
145.02803	0.6
145.03905	0.5
145.10104	8.9
147.04388	4.0
147.08014	1.1
147.11641	1.1
149.02324	27.2
149.05945	2.9
149.09602	16.6
150.02708	0.5
150.09999	0.3
151.03883	0.5
151.07567	0.6
151.11194	0.6
153.05449	13.4
153.09068	1.0
161.01216	0.7
163.03886	13.0
163.07489	0.9
163.11159	6.7
164.04373	0.4
165.05458	0.8
165.09045	0.6
166.01201	0.5
166.02603	8.5
167.03259	0.3
167.07030	3.6
167.10651	0.5
173.09618	1.1
173.13179	0.4
177.01859	1.5
177.05467	1.0
181.04944	5.2
191.06915	0.7
191.10645	6.1
191.14296	1.3
194.00217	0.4
194.02089	21.6
209.04430	100.0
209.11707	9.2
209.15303	3.2
210.04774	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0442
Annotation	6,8-Dihydroxy-7-methoxycoumarin
Peak:m/z	Relative Intensity
52.03157	0.8
53.03929	2.2
54.29286	0.5
55.01872	4.4
55.05498	2.5
55.98783	0.5
57.03411	1.5
57.07058	1.0
59.04977	0.6
65.03616	0.6
65.03932	8.5
66.55006	0.4
67.05495	5.8
68.02610	0.8
68.99763	1.1
69.03410	1.7
69.07054	2.4
70.06570	1.0
71.01366	0.7
71.04972	0.7
71.74355	0.5
79.05481	4.0
80.02607	1.9
81.03393	1.6
81.07050	4.9
82.04169	1.4
83.01316	0.8
83.04958	2.1
83.08586	1.2
84.08115	0.9
85.02898	1.2
85.06504	0.7
85.70474	0.5
89.81187	0.5
91.05461	4.2
92.92448	0.5
93.03384	1.7
93.07034	5.5
95.01333	0.7
95.04955	15.8
95.08591	4.4
96.02137	0.6
97.02862	1.1
97.06516	2.3
98.03671	0.6
99.00797	1.5
99.08042	0.7
100.03773	0.5
103.05463	1.3
105.07018	2.8
106.00510	2.1
106.04163	1.8
107.01307	0.8
107.04933	1.9
107.08572	5.7
108.02103	0.7
109.02872	1.0
109.06506	13.4
109.10152	3.0
110.03676	0.7
111.04433	1.6
111.08057	0.7
112.01556	1.0
117.03365	0.7
117.06966	1.2
119.01279	0.8
119.04900	0.7
119.08562	1.4
121.02845	1.9
121.06506	4.4
121.08427	0.8
121.10110	2.7
123.04396	3.6
123.08014	1.8
123.11706	0.8
125.02359	2.7
125.05975	1.5
125.09615	0.8
131.04919	1.4
131.08521	1.9
133.10109	0.9
135.04414	0.7
135.08040	4.9
135.11693	1.5
136.01540	10.3
137.02252	0.9
137.06001	0.5
138.03072	1.1
139.07585	0.6
139.11053	0.5
141.01791	0.7
145.10118	2.5
147.04300	0.6
149.02336	0.6
149.05962	3.9
149.09625	2.7
149.13239	2.3
151.03835	0.9
151.11140	0.9
153.05475	1.4
153.09097	1.7
155.11067	0.5
163.03932	0.6
163.07562	1.0
163.11198	1.9
163.14757	0.8
165.01814	4.3
165.06956	1.1
165.12723	2.9
166.02600	12.6
167.07033	0.7
169.01308	0.7
173.09660	0.6
173.13251	1.1
177.05466	3.4
178.99730	1.6
179.03493	0.6
179.08556	1.0
181.04907	0.7
181.08559	0.8
181.10110	1.3
191.07072	1.3
191.10602	1.1
191.14290	3.4
193.01389	2.7
194.02019	2.4
194.10925	1.0
197.00842	2.6
198.01558	6.2
209.04427	100.0
209.09671	2.2
209.11708	1.8
209.13347	1.0
209.15311	8.5
210.04770	3.1
212.03139	32.2
213.03322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0441
Annotation	6,8-Dihydroxy-7-methoxycoumarin
Peak:m/z	Relative Intensity
53.03938	0.6
55.01849	1.4
55.05489	1.4
57.03414	0.5
57.07043	1.0
65.03919	1.3
67.05491	2.0
69.03409	0.6
69.07045	1.5
71.04979	0.7
71.74696	0.4
72.45029	0.3
77.56290	0.3
79.05476	3.6
81.03371	0.8
81.07042	3.0
82.04179	1.5
83.04953	1.2
83.08589	0.5
84.08124	0.7
85.02892	1.1
91.05466	2.9
93.00795	0.3
93.03387	1.2
93.06056	0.3
93.07029	3.8
95.04951	2.6
95.08607	2.3
97.02844	0.6
97.06496	1.0
103.05439	1.3
105.03350	0.6
105.07007	1.9
106.04115	1.6
107.04228	0.6
107.04940	8.7
107.08563	2.5
108.05228	0.3
109.02867	0.5
109.06496	5.3
109.10137	1.5
110.03625	1.5
111.04392	0.7
111.08047	0.7
113.06012	0.4
117.06983	0.5
119.08562	0.6
120.02058	0.6
121.02840	2.8
121.06474	2.9
121.10113	2.1
123.04408	0.6
123.08039	1.2
123.11699	1.9
125.06005	0.8
125.09564	0.4
131.04889	0.7
131.08554	1.2
133.10101	0.4
134.03572	0.5
135.04391	7.8
135.05348	0.7
135.08043	1.8
135.11647	1.1
137.06007	0.4
138.03088	3.9
139.03900	0.5
139.07509	0.7
145.04002	0.6
145.10103	0.9
147.11691	0.4
149.02322	22.2
149.05956	2.9
149.09651	1.9
149.13237	0.8
150.03027	0.9
151.11137	0.8
152.06241	0.3
153.05458	9.4
153.09084	1.3
163.03882	11.3
163.07501	0.5
163.11136	1.8
163.14803	0.5
165.05489	0.8
165.06950	0.4
165.12766	0.4
166.02588	7.6
166.07741	0.5
167.07024	0.4
167.10680	0.4
173.09657	0.4
173.13220	0.7
177.01846	1.4
177.05402	1.8
179.08484	0.6
181.04913	5.0
181.06400	0.5
191.03416	0.4
191.07057	0.7
191.10612	1.2
191.14293	1.4
194.02083	18.4
195.02348	0.4
209.04419	100.0
209.11467	2.4
209.15274	5.5
210.04741	1.7
228.80254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01862	1.8
55.05502	1.2
55.93094	0.7
56.96554	2.1
57.07065	0.8
65.03936	2.5
66.04702	0.8
67.05499	5.3
68.99780	5.8
69.07043	1.4
70.06546	4.0
71.01367	0.9
78.04700	1.3
79.05487	12.9
79.41450	0.6
80.29675	0.6
81.03411	1.1
81.07055	5.2
82.07389	0.8
83.04967	1.1
85.06081	0.6
89.03919	1.9
91.05471	13.7
92.05769	0.7
93.03388	8.5
93.07021	2.3
94.07396	0.9
95.04964	6.9
95.08549	1.1
103.05457	7.2
104.06261	1.3
105.03384	2.7
105.07015	4.1
106.04159	4.1
106.06573	0.7
106.07330	0.8
107.04951	15.7
107.08588	1.2
109.06514	7.6
109.10281	0.7
111.04408	1.5
112.57600	0.8
115.05453	1.6
117.03372	2.2
118.04159	1.4
118.06528	0.9
119.04925	9.4
120.05788	1.1
120.08084	5.2
121.02850	2.5
121.06496	10.0
121.10213	0.8
122.06042	1.5
123.04431	1.7
123.08051	1.1
124.05201	1.1
131.04939	4.2
133.02843	3.1
133.05243	1.8
133.06482	4.3
134.03636	2.2
134.05994	1.7
135.04404	32.5
135.08008	1.5
136.05170	0.6
136.07590	0.7
137.05960	9.3
139.07555	0.8
145.06587	0.7
147.04398	18.6
147.06772	0.9
148.05168	2.2
148.07542	2.7
148.12160	0.8
149.02333	1.7
149.05968	10.8
150.05441	1.2
150.06592	1.1
151.03902	2.7
151.07552	3.2
153.05508	1.3
160.05196	0.9
161.05957	3.5
162.05479	1.2
162.06737	2.8
162.09178	1.5
163.03889	63.6
163.07483	4.0
164.04286	1.5
164.07039	0.9
165.05460	17.6
165.07867	2.0
166.05006	1.1
166.08636	0.8
167.05772	2.4
167.08994	0.8
175.03870	1.4
176.09576	1.0
177.05463	19.8
177.07796	0.9
178.02643	1.2
178.04935	1.8
178.06284	1.3
179.03401	7.2
179.07011	3.1
180.03972	1.5
180.07816	2.0
180.10097	1.4
181.04973	6.8
181.08598	1.3
182.68405	0.7
185.10081	1.3
190.08578	1.2
191.07076	4.9
193.04955	68.7
194.05252	1.7
194.10759	1.1
207.06447	1.6
208.07306	100.0
209.04520	0.8
209.07999	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45214	0.5
56.05022	0.8
56.96563	1.2
57.07054	0.7
58.99867	2.2
67.05503	0.7
68.05023	0.6
68.11240	0.5
69.03426	0.6
70.90749	1.3
71.21538	0.6
77.00904	1.9
80.05006	0.7
81.03416	2.8
81.07050	0.7
82.06557	0.5
84.08135	0.6
92.89220	0.5
93.07014	0.6
95.01928	1.1
95.04993	0.6
97.07688	0.8
98.97574	0.7
100.00072	0.8
100.02459	2.0
101.00893	1.3
103.02419	1.7
108.04462	0.5
109.02854	4.2
115.02413	1.8
116.98637	1.0
118.01121	0.8
118.03502	1.8
118.20813	0.5
119.01905	8.9
120.02002	1.6
120.08083	3.6
121.01662	2.2
121.03505	0.9
129.03946	1.4
131.01891	4.3
133.03430	1.7
134.99644	1.3
137.02985	4.4
139.02464	2.1
139.38197	0.5
141.03934	1.5
142.03477	1.1
143.01886	0.9
144.03255	2.0
145.03397	1.5
147.05029	1.8
149.00832	0.6
149.02968	1.2
154.03456	0.7
156.00284	0.9
157.02150	0.8
157.03456	10.5
157.04666	1.1
159.05014	5.2
160.04486	0.6
161.02960	1.5
162.03076	2.6
162.04308	1.2
163.02753	0.6
166.02013	0.7
166.03543	0.8
167.01877	6.1
173.02916	1.9
175.04497	3.2
177.00938	1.7
177.06169	2.7
177.09662	0.7
180.05118	1.0
182.06653	1.6
184.04475	0.8
185.02942	100.0
185.06447	2.1
186.03030	3.2
186.06128	0.6
190.03416	2.8
191.03952	0.8
191.99411	0.7
196.04439	0.8
199.05717	0.7
200.07677	1.5
203.02272	2.5
203.03969	38.1
203.07561	2.5
204.04201	1.2
208.04536	27.5
208.86063	0.6
209.04547	1.3
221.03185	1.2
221.05104	1.7
226.05594	6.0
226.08937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03926	3.7
55.01843	3.5
55.05498	10.3
57.07068	13.6
57.30399	1.8
59.04969	4.3
65.03915	4.0
67.05489	17.0
69.03416	17.2
69.07034	8.8
69.65871	17.4
71.04975	9.4
78.97069	2.1
79.05477	25.9
81.03390	2.9
81.07033	25.6
82.17179	2.0
83.04958	8.6
83.08598	4.4
85.02876	6.2
85.06509	8.3
91.05469	40.7
93.07023	31.8
95.04951	40.2
95.08587	31.3
96.79232	2.2
97.02926	2.2
97.06510	5.5
97.84579	2.5
103.05454	4.3
105.06317	4.4
105.07010	57.6
105.21868	2.3
107.04900	5.1
107.08578	90.1
109.05837	2.7
109.06509	36.2
109.10133	5.4
111.08015	5.7
113.05982	3.3
115.05418	4.2
116.06181	3.4
117.07000	5.9
119.04907	8.4
119.08569	51.0
120.08098	2.8
121.05692	2.9
121.06494	31.9
121.10125	37.5
122.05939	2.1
122.07252	12.6
123.04393	2.4
123.08044	56.5
123.11687	13.9
125.05959	3.6
128.06192	4.9
129.06943	5.4
131.08543	33.2
133.06462	15.3
133.07333	2.0
133.10100	13.4
135.08018	4.8
135.11659	5.0
137.05933	8.5
137.09564	9.8
137.13254	5.2
141.06972	3.0
143.08516	7.8
145.06371	2.6
145.10098	14.7
147.04359	6.0
147.07996	12.0
147.11659	53.2
149.02380	3.6
149.09592	100.0
151.07515	93.3
151.08727	4.9
156.09308	14.9
159.08060	3.5
161.05968	4.6
161.09602	6.5
161.13203	22.8
163.03912	2.8
163.11171	10.4
164.04691	2.4
165.09094	11.4
165.12750	30.5
171.11664	17.8
174.10399	4.5
175.03876	4.5
179.07011	3.0
179.14281	4.1
183.27783	2.1
189.05435	2.2
189.12721	59.4
201.34111	2.1
207.06427	11.2
207.11847	5.9
207.13770	96.6
208.14127	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.67477	1.4
52.45609	1.5
53.27294	1.7
55.01863	3.4
55.05498	5.3
57.03410	2.6
57.07068	3.9
59.04984	2.3
61.16188	1.9
67.05502	9.7
69.03426	8.7
69.07048	6.2
69.48262	1.9
69.64650	13.5
71.04984	5.8
72.43918	1.6
79.05469	11.4
81.03399	2.2
81.07050	22.3
83.04969	6.4
83.08592	2.0
85.02885	5.8
85.06533	4.9
89.06007	4.6
91.05476	24.1
93.07045	17.4
95.04948	12.5
95.08600	22.1
97.02869	2.4
97.06517	7.2
99.04482	2.1
103.05441	5.8
103.15343	1.7
105.07021	31.8
107.04932	5.5
107.08582	43.2
109.02872	5.2
109.06504	28.1
109.10139	7.2
111.04475	1.9
111.08099	4.2
115.05426	2.8
117.06988	6.3
118.04124	2.1
119.04945	12.7
119.08571	28.4
120.08131	1.8
121.06509	8.9
121.10128	23.9
123.04474	2.6
123.08054	30.6
123.11706	11.9
125.05960	3.2
128.06223	10.1
129.06993	28.3
131.04918	2.9
131.08572	10.8
133.06491	6.5
133.10110	9.9
135.08051	2.3
136.05127	2.2
137.05939	2.9
137.09567	7.9
139.11159	4.0
143.08505	3.9
145.06459	7.2
145.10123	6.1
146.03583	2.2
146.07268	3.9
147.04388	9.5
147.08054	9.4
147.11665	34.2
149.02287	5.8
149.05925	4.5
149.09599	36.9
151.07526	100.0
156.09296	9.6
157.06465	22.0
158.07239	2.2
159.04398	2.1
161.05962	8.2
161.09619	6.0
161.13251	8.5
163.07484	2.7
163.11183	7.7
164.04677	9.2
165.05486	2.2
165.09113	3.9
165.12717	17.2
171.11684	6.2
174.06738	18.7
174.10367	3.0
175.03842	3.0
175.07326	1.7
177.05475	6.0
177.09103	3.0
179.07005	7.0
179.14313	2.4
189.05499	2.9
189.09091	39.7
189.12718	20.4
192.04141	4.5
207.02722	2.1
207.06519	21.4
207.10110	6.5
207.13780	45.8
207.17400	4.0
208.13895	1.8
214.43350	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03940	4.0
55.01849	9.0
55.05484	3.1
56.18697	1.8
57.07056	6.0
58.22293	2.1
59.04983	5.0
65.03939	2.9
66.94978	1.7
67.05490	14.4
69.03426	11.8
69.07058	4.4
70.87109	3.6
70.87460	5.0
71.04977	7.7
79.05484	19.9
81.06590	3.6
81.07047	48.1
83.04965	7.3
85.02876	11.8
85.06545	14.4
91.05476	26.0
93.07033	17.6
95.04959	22.5
95.08599	32.9
97.02866	3.1
97.06489	3.7
98.97512	2.0
103.05445	3.0
105.07024	41.2
107.08583	99.2
109.06519	27.7
109.10131	6.7
111.04410	2.5
111.08030	3.4
117.06998	5.4
119.04935	7.0
119.08553	33.4
120.08070	3.5
121.06500	14.8
121.10130	33.4
122.07275	4.3
123.04408	2.4
123.08061	50.0
123.11713	19.1
125.09610	4.6
128.06143	2.2
129.06979	4.8
131.08559	21.3
133.06468	8.1
133.10069	7.7
135.08043	6.8
136.08806	4.8
137.09598	7.4
139.07564	4.5
143.08549	5.5
143.65041	1.9
145.10097	10.5
147.04379	4.6
147.08037	10.1
147.11671	52.2
149.02409	2.1
149.05910	3.0
149.09599	84.7
151.07518	77.4
156.09349	9.7
159.07980	2.8
161.05864	4.1
161.09627	2.5
161.13232	13.1
163.11119	6.7
165.09042	4.4
165.12730	33.1
171.11694	14.4
174.10342	4.0
175.03813	2.9
176.08371	2.5
177.05428	3.6
179.07059	2.2
189.05225	2.3
189.12727	46.9
207.06535	12.8
207.09969	3.7
207.13785	100.0
208.13240	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03939	1.9
55.01856	2.1
55.05505	5.5
57.03413	2.0
57.07060	3.6
57.11646	1.1
59.04978	2.9
65.03921	1.9
66.12879	1.0
67.05489	8.2
69.03424	7.7
69.07055	5.7
69.62713	7.6
71.04967	2.9
72.82293	1.0
75.43938	1.1
78.71975	0.9
79.05479	11.6
81.03396	1.7
81.07047	19.3
83.04985	9.6
83.08606	2.1
85.02877	4.9
85.06511	3.5
91.05465	23.5
93.07029	13.7
95.04955	12.4
95.08588	17.8
97.02870	2.6
97.06499	3.3
103.05464	2.5
105.07012	32.7
107.04941	3.5
107.08575	41.1
107.62437	1.2
108.05733	1.6
109.06499	26.5
109.10133	6.4
111.04442	1.5
111.08063	3.8
113.05995	1.2
114.73107	1.1
115.05411	2.3
117.06980	4.3
118.04111	1.5
119.04932	9.0
119.08559	23.6
121.06479	7.0
121.09355	1.6
121.10133	17.6
123.04422	1.7
123.08049	26.9
123.11691	9.7
125.05950	2.8
125.09598	2.2
128.06171	1.8
129.06944	3.6
131.04892	1.6
131.08556	9.4
132.02095	1.3
133.06485	14.8
133.10104	9.6
135.08000	3.7
136.05135	1.8
136.08791	1.8
137.05948	2.9
137.09621	4.9
137.13162	1.2
139.07500	2.3
140.63368	1.2
143.08525	3.8
145.06424	1.4
145.10088	7.6
145.76256	1.1
146.03722	1.2
146.07220	1.4
147.04388	6.8
147.08023	9.4
147.11668	31.7
148.08646	1.0
149.02318	3.6
149.05946	4.6
149.09602	36.2
151.07521	100.0
152.07973	1.6
156.09328	6.8
157.79269	1.1
159.07993	1.4
159.11676	2.3
161.05954	20.0
161.09613	3.9
161.13223	11.2
162.03162	1.0
162.13579	1.2
163.03821	1.6
163.07512	1.6
163.11140	5.6
164.04631	4.4
165.09108	2.5
165.12741	14.9
171.11687	8.4
174.03067	1.5
174.10399	1.9
175.03845	3.5
175.07555	3.1
176.06743	2.0
176.08302	38.0
177.05466	4.1
177.09009	1.9
177.12633	1.1
179.06987	4.7
179.10469	1.1
179.14244	1.5
189.09134	2.2
189.12720	19.8
189.16260	1.5
190.13084	1.1
192.04152	3.4
192.07803	2.6
207.06459	13.8
207.08240	2.0
207.10118	15.8
207.13770	59.2
217.44531	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03930	1.2
55.01857	2.0
55.05502	6.2
57.07062	3.5
59.04990	1.6
65.03918	1.7
65.56654	1.2
67.05498	16.9
69.03408	3.9
69.07047	4.3
71.04971	3.2
71.26128	2.0
71.26458	1.2
79.05475	7.9
81.06593	1.8
81.07047	20.1
83.04964	4.0
85.02897	100.0
85.06515	4.2
86.03265	1.5
91.05463	14.7
93.07043	11.3
95.04964	5.3
95.08593	34.2
97.06509	2.4
98.97559	1.9
103.05463	1.8
105.07021	24.8
107.04935	2.4
107.08574	14.5
109.06516	6.5
109.10139	16.0
111.04424	1.9
111.08064	1.8
113.06001	1.6
115.52026	1.0
116.06190	1.2
117.06989	1.8
118.04158	1.4
119.04926	4.8
119.08568	26.3
121.06486	4.9
121.10134	20.4
123.08064	25.6
123.11695	62.4
125.06008	9.5
128.06248	1.8
131.08546	7.6
133.06433	4.8
133.10104	4.2
135.08064	1.3
135.11693	2.2
137.05920	1.5
137.09599	5.2
139.07497	1.4
141.06926	1.5
143.08527	4.2
145.06482	1.3
145.10094	7.4
146.10941	2.0
147.04375	4.6
147.08070	9.4
147.11667	22.7
149.09607	35.8
151.07544	10.0
151.14725	1.2
156.09344	4.3
159.08012	2.4
161.05959	1.5
161.09613	3.6
161.13210	9.4
163.11156	2.5
165.09009	1.5
165.12718	8.4
169.08524	1.6
171.11633	5.6
174.10384	4.1
175.03847	3.9
179.14325	2.0
189.12721	33.8
192.04140	4.4
207.06497	6.7
207.13789	64.1
220.05441	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01865	1.6
55.05495	6.1
57.03413	1.7
57.07052	3.8
59.04994	3.1
66.87019	1.4
67.05487	14.9
69.03424	9.3
69.07038	5.3
69.11581	1.3
71.04964	4.6
71.09764	2.0
71.10085	2.4
72.08441	1.2
79.05058	2.0
79.05473	12.2
81.07047	14.6
83.04951	5.8
85.02895	57.5
85.06526	4.4
91.04912	1.9
91.05467	23.7
93.07029	13.9
95.04964	6.9
95.08592	30.3
97.06508	1.8
103.05428	2.7
105.06323	2.5
105.07018	44.9
107.04919	8.0
107.08586	20.6
109.06496	18.2
109.10125	10.7
111.08031	1.6
113.05996	2.3
117.06993	7.4
119.04908	4.6
119.08567	48.0
121.06521	6.4
121.10135	31.8
123.08060	25.3
123.11693	33.0
125.05967	6.9
128.06190	3.7
129.06970	4.2
130.07779	3.0
131.08556	18.6
132.02060	1.2
132.18350	1.4
133.06427	7.3
133.10107	11.4
135.11682	2.2
137.09576	4.5
139.07507	1.7
141.06975	3.4
143.08554	8.1
145.06509	2.4
145.10109	15.8
146.10861	6.0
147.04402	5.7
147.08035	14.9
147.11668	56.3
149.09601	75.0
151.07524	11.0
155.08502	2.7
156.09308	17.2
159.07988	5.3
160.08798	3.1
161.05962	5.2
161.09576	5.3
161.13251	18.5
163.11166	13.0
164.04640	1.7
165.09123	3.1
165.12762	6.1
171.11668	11.4
174.10403	11.5
175.03888	2.9
179.06886	2.3
189.09131	2.7
189.12721	56.5
207.06506	6.7
207.13780	100.0
208.14143	2.1
221.46600	1.4
225.26450	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05497	9.0
56.35988	3.6
57.07058	5.3
65.03931	4.1
67.05492	37.0
69.03429	6.3
69.07034	5.7
71.10097	4.9
71.10455	6.5
75.32972	2.8
79.05473	9.9
81.07048	28.8
81.40260	3.0
85.02896	77.3
85.06506	9.2
91.05476	24.5
93.07043	24.2
93.07544	4.4
95.04964	7.1
95.08596	100.0
105.07016	38.7
107.04945	3.9
107.08592	29.6
109.06502	11.4
109.10140	14.5
112.95586	2.8
117.07022	5.1
119.04935	3.8
119.06820	8.0
119.08580	51.4
121.06494	4.1
121.08439	2.9
121.10145	27.3
123.08057	59.9
123.11692	44.5
123.12530	5.7
125.05992	6.4
129.07040	4.0
130.07759	4.1
131.08563	15.2
131.09438	3.3
133.10101	11.5
135.08038	3.0
136.42578	3.1
137.09637	7.4
137.24380	3.0
141.06998	6.1
143.08566	7.1
143.78584	3.8
145.04776	5.2
145.10110	14.4
147.04489	3.2
147.08014	14.4
147.11678	42.2
149.09599	46.3
151.07529	9.9
151.14815	5.2
156.09299	7.1
158.96408	3.1
161.09590	5.4
161.13257	22.0
163.11166	9.1
165.12733	11.9
171.11658	9.0
171.98137	3.4
174.10400	9.6
179.14207	3.5
189.12729	46.6
193.87886	3.3
207.13777	80.3
207.15614	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02365	1.0
53.03938	6.6
55.01858	1.4
55.05501	7.8
65.01337	1.0
65.03931	1.3
67.05499	26.4
67.15895	0.9
69.07067	6.4
70.13503	4.9
71.04968	2.7
73.06538	1.1
77.03915	1.7
79.05487	47.8
81.03395	1.8
81.07044	23.2
83.04964	3.4
83.08600	2.9
85.06527	2.4
91.05474	53.8
92.05784	1.2
93.07036	100.0
94.07357	1.3
95.04955	17.6
95.08604	9.1
97.06544	0.9
105.04523	2.2
105.07020	28.2
107.08576	9.9
109.06493	3.9
111.15194	0.9
114.13739	0.9
117.06985	6.2
119.08577	15.4
121.10124	1.8
122.16830	0.8
123.08064	3.3
127.07550	1.2
128.06224	1.3
129.06995	10.8
131.08563	1.7
133.06479	1.3
133.10123	6.0
143.08553	6.3
145.10095	6.7
147.08015	1.7
147.11671	55.8
158.26808	1.2
161.09660	4.3
161.13280	8.3
171.11674	17.2
188.05368	0.9
189.12724	9.8
207.06511	1.4
207.13791	16.3
207.17532	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02363	1.4
51.35135	0.7
53.03937	8.4
55.01862	2.8
55.05500	9.4
57.07069	1.0
59.04996	1.2
65.03915	1.7
67.05128	1.8
67.05493	31.1
69.03413	2.3
69.07058	6.2
69.52626	7.5
70.73013	0.7
71.04980	4.3
73.06548	1.6
76.55603	0.8
77.03903	0.9
79.05481	50.9
81.03388	1.5
81.07042	28.3
83.04963	3.3
83.08590	2.6
85.02888	1.8
85.06527	4.0
87.04460	0.9
91.05466	58.1
92.05802	1.3
93.07027	100.0
94.07358	1.0
95.04951	20.9
95.08589	12.8
97.06509	3.0
97.10140	1.1
103.05444	1.1
105.04501	3.0
105.07010	31.2
107.04929	1.6
107.08579	12.4
109.06487	7.9
109.10117	2.4
109.92308	0.9
111.08027	1.2
115.05446	0.9
115.96432	1.6
116.97213	0.9
117.07023	5.5
119.04920	1.3
119.08557	20.0
120.08060	1.4
121.02840	1.1
121.06487	4.5
121.10139	5.2
123.08052	7.1
123.11664	1.4
125.49192	0.8
127.07537	1.2
128.06154	2.0
129.06976	10.4
131.08536	2.3
133.06502	1.7
133.10095	8.7
133.97469	2.9
135.08003	1.8
137.05937	1.6
137.09575	2.1
143.08513	5.6
145.10103	10.1
147.04410	0.9
147.07997	3.0
147.11664	53.3
149.09602	2.8
151.07497	2.0
156.09270	1.9
161.05948	2.3
161.09621	5.3
161.13211	8.4
163.11150	1.9
165.01788	0.8
165.09010	0.9
165.12750	3.1
171.11671	21.2
175.03926	1.1
179.06944	1.5
179.08424	1.4
189.09134	1.3
189.12711	13.8
192.04143	1.2
192.09366	3.9
207.06483	5.8
207.09962	1.6
207.11740	5.6
207.13779	24.3
207.17368	2.8
208.07512	0.9
214.57309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02378	1.1
53.03941	6.8
55.01863	2.1
55.05504	6.0
56.96576	0.9
57.03438	0.6
57.07050	0.8
64.24944	0.6
65.03935	2.0
67.05499	23.5
69.03420	13.4
69.07053	5.8
70.17211	1.1
70.17636	2.0
71.04652	0.6
71.04975	3.2
73.02919	0.7
73.06548	0.7
77.03913	1.8
79.05486	41.9
81.03407	1.9
81.07048	20.9
83.04978	2.8
83.08618	2.2
85.02891	1.8
85.06539	2.2
87.04472	0.9
91.05470	56.0
92.05804	0.8
93.07033	100.0
94.07370	1.4
95.04957	20.1
95.08603	12.1
97.06531	2.5
97.10165	1.1
99.04443	0.7
103.05488	1.0
105.04539	2.6
105.07019	30.6
106.42467	0.6
107.04953	1.1
107.08575	9.4
107.09248	1.0
108.79266	0.5
109.06510	6.0
109.10120	2.6
115.05487	0.9
115.96417	2.2
116.97205	1.5
117.07005	5.6
119.04904	1.4
119.08572	18.7
120.08059	1.4
121.06497	3.2
121.10143	4.2
123.04440	0.8
123.08047	5.0
123.11663	1.5
127.07550	0.8
128.06207	1.5
129.06990	10.4
131.08560	2.4
133.06465	2.0
133.10114	8.5
133.97504	0.8
135.08002	1.1
135.11627	0.7
137.05981	2.7
137.09564	2.6
139.07506	0.6
139.11209	0.5
143.08548	5.2
145.06485	0.7
145.10115	8.1
147.04413	1.7
147.08035	3.0
147.11668	54.3
148.11998	1.2
149.09608	2.4
151.07556	2.5
156.09372	0.9
161.05894	1.6
161.09599	4.4
161.13237	12.5
163.11086	0.6
165.07590	0.5
165.09076	1.7
165.12788	3.2
166.08643	0.5
171.10156	0.8
171.11678	17.0
175.03891	1.4
179.06972	1.4
184.98848	0.6
189.12729	12.8
189.16451	0.7
192.04161	0.8
192.09282	1.0
207.02930	0.8
207.06454	4.4
207.08148	0.8
207.09940	0.8
207.11824	1.7
207.13768	24.6
207.17427	1.9
208.14101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03927	8.9
55.01844	6.0
55.05502	12.3
56.96542	4.8
57.03416	9.4
57.07055	5.8
59.04993	4.7
64.32255	2.4
65.03928	6.3
67.05496	27.0
69.03412	13.0
69.07040	8.6
70.06562	2.7
71.04974	10.2
71.33292	5.6
74.95420	2.0
79.05476	23.7
81.03398	5.8
81.07047	30.6
83.04971	11.0
83.08573	4.2
84.08131	3.4
85.02895	53.5
85.06509	4.4
89.03915	3.4
91.05463	60.8
93.07030	24.8
94.06552	2.4
95.04955	18.6
95.08591	35.1
95.38531	2.2
97.02885	2.7
97.06515	5.3
98.31342	2.1
103.05454	4.0
105.07021	57.2
107.04944	9.8
107.08574	30.8
109.06503	23.4
109.10124	16.4
111.04395	2.6
111.08057	2.4
115.05437	6.2
117.06999	8.8
118.04139	8.4
119.04932	39.8
119.08565	55.4
120.08084	10.9
121.06515	12.9
121.07313	2.4
121.08392	4.3
121.10140	35.5
123.04390	8.7
123.07233	3.5
123.08059	44.3
123.11685	36.8
125.06007	5.2
128.06154	4.5
129.06979	5.2
130.07753	4.2
131.04857	4.5
131.08574	11.4
133.06441	11.0
133.10110	26.1
135.04375	3.8
135.08052	17.4
135.11678	4.6
136.05222	4.3
137.05923	7.4
137.09589	13.9
139.07544	3.0
143.04910	2.4
143.08546	11.4
145.02786	2.2
145.06421	6.3
145.10106	15.1
146.03568	5.5
146.07155	2.8
147.04387	36.8
147.08018	25.0
147.11659	44.2
148.08604	3.7
149.02318	8.5
149.05989	6.1
149.09599	57.5
151.07515	16.9
151.11163	5.3
156.09378	14.1
159.11647	3.5
160.08797	4.6
161.05949	17.5
161.09610	16.8
161.13246	23.6
163.03850	4.7
163.11159	12.4
164.04636	8.6
165.05486	4.6
165.09125	8.8
165.12747	12.5
166.04956	4.2
166.08589	3.1
171.11629	14.8
174.03047	4.6
174.06593	2.5
174.10385	9.8
175.03876	29.0
176.08369	5.1
177.05455	9.6
179.06978	12.0
179.10583	2.9
179.14311	5.0
183.97585	2.4
189.05446	7.0
189.07564	2.5
189.09087	9.8
189.12724	62.4
189.16347	4.3
192.04144	21.5
207.03012	4.3
207.06500	52.1
207.07948	2.8
207.10126	21.5
207.13788	100.0
207.17422	9.3
208.06136	2.4
228.76460	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
53.03934	1.8
54.80746	0.9
55.01870	5.2
55.05487	2.4
56.96546	1.6
57.03431	1.0
57.07050	1.9
64.03147	1.1
65.03935	9.9
66.30280	0.9
67.05495	5.6
68.99788	0.9
69.03426	4.4
69.03730	0.8
69.07041	2.7
70.06568	0.9
70.91582	1.7
70.91903	1.0
71.04976	2.0
72.08154	0.9
77.03915	2.9
79.05490	6.8
80.05000	1.1
80.06243	1.3
81.03394	2.3
81.07041	5.9
82.06519	0.9
83.04955	2.8
83.08615	0.9
84.08125	4.5
85.02892	9.8
85.06528	1.1
89.03915	4.8
90.04686	1.5
91.05471	100.0
92.05804	1.8
93.03371	1.0
93.07029	5.8
95.04961	5.8
95.08595	7.7
97.06528	0.9
97.10195	1.2
98.97551	1.2
101.03938	0.9
103.05466	4.0
105.03365	2.6
105.07017	12.7
107.04941	3.7
107.08570	7.9
108.05692	2.0
109.06506	5.9
109.07629	1.3
109.10112	3.8
111.04426	1.1
111.08060	1.1
115.05411	1.9
116.98605	1.0
117.03369	1.5
117.07011	2.7
118.04156	10.0
119.04929	84.1
119.08575	13.3
120.05284	1.1
120.08096	2.0
121.02843	4.0
121.06486	3.0
121.10138	7.7
121.97603	1.2
122.03626	2.0
122.07244	1.1
123.04426	1.2
123.08054	6.9
123.11707	7.8
125.05921	1.1
128.06192	1.5
129.03352	2.4
129.04446	1.1
129.06931	2.1
131.04897	1.2
131.08527	2.8
132.02061	8.4
133.02853	1.7
133.06471	3.7
133.07393	1.0
133.10100	5.1
134.03619	1.8
135.04367	4.5
135.08044	3.5
135.11702	1.3
136.05185	3.5
137.05966	2.0
137.09589	3.4
139.07520	1.3
143.08517	2.0
145.02840	2.2
145.06459	1.2
145.10077	3.1
146.03621	5.6
147.04391	69.5
147.08014	7.9
147.11655	8.3
148.05231	0.8
148.08641	1.6
149.02330	12.3
149.05984	4.1
149.09590	8.8
151.02740	0.9
151.03934	1.7
151.07561	5.2
151.08549	0.9
151.11201	1.2
156.09332	2.3
157.03984	5.6
161.05969	5.8
161.09599	4.5
161.13229	5.0
162.03137	1.1
163.03854	2.3
163.11163	2.4
164.04675	8.6
164.08257	1.0
165.05434	1.5
165.09061	2.4
165.12758	2.6
171.11674	2.4
174.03065	3.0
174.09010	1.1
175.03886	69.3
176.04277	1.9
176.08292	2.3
177.01878	4.2
177.05428	3.0
179.07004	8.3
179.10512	0.9
189.05438	1.6
189.09068	3.3
189.12721	8.7
189.16336	1.8
190.75406	1.0
192.04166	30.8
207.06506	49.2
207.09915	6.4
207.12170	1.1
207.13814	15.1
207.17351	4.1
208.06790	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.13905	0.6
53.03916	1.1
55.01865	1.2
55.05492	1.5
57.07067	1.2
63.02350	0.9
65.03927	10.1
67.05495	3.0
69.03416	1.5
69.07041	1.1
70.06577	0.7
71.04640	1.4
72.08141	1.1
76.03111	1.1
77.03927	2.2
79.05478	3.9
79.82330	0.6
80.06267	1.1
81.03410	1.7
81.07043	2.2
83.04962	1.0
84.08136	3.7
85.02889	2.5
89.03903	6.3
90.04689	1.3
91.05465	98.1
92.05799	1.3
93.03378	1.6
93.07015	1.9
95.04955	2.6
95.08603	2.9
103.05447	3.0
104.02603	0.8
105.03369	2.7
105.04476	0.7
105.07029	5.0
107.04935	3.6
107.08569	1.6
109.02896	0.7
109.06466	1.7
115.05387	0.7
117.07063	0.8
118.04137	11.2
119.04922	100.0
119.08571	4.6
120.05284	2.1
120.08099	1.5
121.02849	4.8
121.06487	1.3
121.10098	2.6
122.03645	1.3
123.08053	2.6
123.11690	2.1
128.06258	0.7
129.03346	1.9
129.06952	0.8
131.04932	1.1
131.08531	0.9
132.02057	8.4
133.02837	1.9
133.06491	2.1
133.10104	1.8
134.05957	0.9
135.04373	4.3
135.08006	1.0
136.05194	3.7
137.05942	1.2
137.09566	1.7
143.08562	1.0
145.02826	2.7
146.03587	3.7
147.04382	80.6
147.08023	2.9
147.11665	3.0
148.04822	1.2
148.08673	1.1
149.02310	14.4
149.05956	0.9
149.09586	2.3
150.03073	2.0
151.07506	1.3
151.11177	1.3
157.03961	8.4
161.05946	3.9
161.09593	1.5
161.13191	1.7
162.03101	1.3
162.05431	1.0
163.03882	2.2
163.11185	1.2
164.04674	9.4
165.05417	0.8
165.09016	0.9
165.12787	1.2
174.03122	2.5
174.10265	0.6
175.03879	97.9
176.04259	2.2
176.08257	1.2
177.01793	4.2
177.05502	0.7
179.07014	9.2
189.05409	1.4
189.09012	0.9
189.12726	2.3
192.04138	35.5
203.17900	0.8
207.06491	55.4
207.10043	2.7
207.13828	3.9
207.17323	1.1
208.06111	1.2
225.94171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0811
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
53.33611	0.3
55.01871	0.5
55.05504	0.4
55.24684	0.3
56.96558	1.0
57.07065	0.9
58.07394	0.5
61.02906	1.5
63.76146	0.4
65.03924	0.6
67.05486	0.6
69.03423	0.8
69.07063	0.5
69.63782	1.5
69.64213	1.5
70.06573	0.9
77.34983	0.4
79.05478	1.5
81.03408	2.2
81.07045	0.7
84.08115	1.1
85.02896	1.1
87.00807	2.0
88.96893	0.4
91.05466	5.9
93.07040	5.1
95.04964	1.5
95.08596	0.9
97.02878	0.7
98.97563	2.1
102.49608	0.5
103.05457	14.2
105.03374	1.4
105.04482	0.4
105.07038	2.1
107.04950	0.5
107.08582	1.6
108.04465	1.2
109.06494	0.7
109.07627	0.4
109.10106	0.5
115.05476	0.5
116.05283	0.5
116.98605	1.9
117.05739	0.5
117.06971	0.7
118.06534	38.8
119.04929	1.6
119.06834	0.7
119.08574	1.2
120.08094	100.0
121.08429	0.9
121.10134	1.1
122.07177	0.5
123.08039	1.0
123.11662	0.5
128.04977	2.0
128.06157	0.4
130.06522	1.6
131.08475	0.4
132.08057	1.2
132.08926	0.5
133.06479	0.6
133.10106	0.6
134.99655	1.0
135.11703	1.0
137.05936	0.5
138.10139	0.5
143.86859	0.4
144.04442	9.2
144.08043	0.5
146.05989	15.7
146.07132	0.8
147.04382	0.9
147.08011	0.9
147.11693	0.9
148.07465	0.4
148.08611	0.6
149.02333	1.6
149.08205	0.4
149.09595	0.9
150.02657	2.9
158.05998	2.5
158.99625	1.0
160.07513	3.6
161.05968	1.4
161.13205	0.5
163.09828	0.6
163.11142	0.4
164.07037	0.6
166.08537	0.5
175.03897	0.8
177.00737	1.3
178.04955	0.5
178.08588	0.6
186.07341	0.5
188.07051	11.3
189.07426	0.5
189.09016	0.6
189.11336	1.0
189.12816	0.9
191.14330	1.7
206.04736	0.5
206.08110	9.4
206.10019	0.9
206.11945	1.2
206.15288	1.3
207.06563	1.5
207.10162	0.5
207.13779	1.8
220.82709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
50.29318	0.6
51.90343	0.6
53.03933	1.5
55.05506	9.6
57.07065	2.9
60.45673	0.5
65.51257	0.5
67.05500	9.1
69.07063	19.7
71.08617	0.8
71.36992	1.3
75.57011	0.6
77.84162	0.6
79.05481	11.9
81.07048	53.0
82.07383	0.7
83.08615	5.0
91.05466	6.1
93.07035	52.3
94.07355	1.0
95.04997	1.5
95.08595	24.7
97.10146	5.0
105.07017	3.8
107.08579	31.4
107.17768	0.7
109.10147	20.4
111.11729	2.1
112.55595	0.6
113.85378	0.6
119.08585	1.0
121.10130	100.0
122.10435	2.0
123.11693	10.5
135.11673	15.5
137.13275	1.6
147.11737	0.7
149.02348	1.7
149.13240	38.4
150.13533	1.0
160.30865	0.6
163.14856	4.2
205.19502	18.5
205.21350	1.3
217.99498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03933	2.2
55.05507	17.6
57.07074	17.7
58.70182	1.6
64.97755	1.6
65.03925	7.4
67.05499	14.6
69.03416	2.2
69.07058	25.1
69.40672	20.1
71.08628	1.6
79.05484	15.8
81.03379	2.8
81.07047	30.0
81.46387	1.5
83.08607	10.7
84.04504	3.2
84.80202	1.7
85.02896	3.0
85.04794	1.7
91.05489	11.0
92.35120	1.5
93.03396	2.7
93.07030	43.3
95.04952	2.6
95.08591	38.4
96.04430	1.8
97.02876	8.7
97.04764	1.9
97.10161	10.5
105.06990	9.1
107.04916	2.1
107.08577	51.4
109.02869	5.3
109.06480	3.9
109.10139	41.4
111.11720	2.7
114.05528	1.7
117.84090	1.7
119.08561	4.8
121.02866	13.0
121.03956	4.0
121.06497	2.4
121.09252	3.2
121.10126	52.8
123.11692	16.2
127.03901	2.0
127.05913	2.7
131.08514	3.4
131.42285	1.5
133.10094	4.6
135.08081	3.7
135.11668	34.1
135.12633	2.8
137.13185	2.4
145.10121	4.9
147.11670	2.6
149.02321	100.0
149.13235	57.7
150.02681	4.2
159.11682	2.5
163.14857	7.8
187.11131	2.9
187.14830	3.9
190.04913	2.4
205.04936	2.3
205.08861	2.5
205.12234	5.0
205.14105	3.8
205.15950	7.0
205.19498	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03938	2.2
53.53656	1.3
55.05502	7.2
57.07074	7.2
62.42408	1.4
65.03924	3.9
67.05503	10.6
68.05045	1.5
69.03416	1.3
69.05342	1.3
69.06734	1.5
69.07059	17.4
71.08609	2.7
72.80659	1.2
79.05482	11.9
81.03409	2.2
81.07047	54.2
82.07371	1.5
83.08605	4.4
84.04478	2.1
85.02925	1.7
91.05460	6.0
93.07033	51.1
93.67477	1.3
95.04938	2.1
95.08584	22.0
96.08893	1.6
97.02866	6.0
97.10143	4.9
105.07021	4.9
107.08580	32.6
109.02834	2.4
109.10139	21.6
111.11700	1.5
119.08546	1.7
121.02830	4.2
121.06477	2.0
121.10127	100.0
122.07117	1.8
123.08130	1.3
123.11682	7.6
127.03851	2.1
127.05855	3.4
131.08585	2.3
133.10020	1.4
135.11668	16.3
145.06477	1.5
145.10112	1.7
149.02321	40.5
149.13237	36.8
150.13614	1.4
159.08017	1.4
159.11687	2.0
163.09793	1.8
163.11066	1.4
163.14786	4.4
177.05423	1.8
205.04936	2.2
205.06882	2.1
205.08801	3.5
205.12148	4.9
205.14101	2.2
205.15862	1.5
205.19502	15.8
206.04466	1.7
206.08141	1.9
206.13913	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03939	2.3
54.52969	0.8
55.05505	14.5
57.07066	6.9
65.03926	1.3
67.05494	15.3
69.07061	28.1
71.08611	2.0
71.19900	1.5
77.65353	0.7
79.05023	0.7
79.05486	17.6
81.07046	61.4
82.07353	0.8
83.08607	9.7
85.00798	0.6
91.05461	8.8
93.07033	59.9
94.07338	1.1
95.04974	1.6
95.08595	43.0
97.10153	8.4
105.07016	5.1
107.08578	52.9
108.08882	1.2
109.06487	0.8
109.10143	36.5
111.11723	3.9
111.12475	0.5
119.08572	2.1
121.02908	1.6
121.10129	100.0
122.10461	2.1
123.08038	1.1
123.11693	16.2
131.90657	0.7
133.10054	1.0
135.11671	34.7
137.13231	2.6
149.02324	13.2
149.13237	64.5
150.13570	1.1
163.14789	7.5
177.16354	1.1
202.76083	0.6
205.19496	39.0
206.19861	0.9
218.10307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03922	4.5
55.01833	1.7
55.05505	31.1
55.25414	1.2
56.96555	4.1
57.03418	1.8
57.06837	1.6
57.07071	22.6
60.04507	4.1
61.02916	1.3
61.04848	1.3
65.03925	8.8
65.34412	1.3
67.05496	28.0
68.05010	2.0
69.03405	4.6
69.07061	43.3
71.04982	2.5
71.08611	4.0
71.74312	1.7
79.05486	24.0
81.03417	10.6
81.07047	52.7
83.04980	1.6
83.08608	17.4
84.04472	3.2
85.02871	4.5
85.04829	3.7
91.05466	19.0
93.03374	3.5
93.07034	78.4
95.04955	5.1
95.08596	64.4
96.04483	2.4
96.08908	1.8
96.52643	1.3
97.02890	14.9
97.04836	2.7
97.10166	10.7
98.03197	1.8
99.04386	2.1
103.05420	1.6
105.07027	15.0
107.04938	1.9
107.08580	80.3
108.04454	3.0
109.02871	7.4
109.06535	2.2
109.10146	60.3
111.04457	2.7
111.11694	6.1
114.05573	2.1
115.05913	1.6
117.06980	4.3
119.08597	7.4
121.02841	15.8
121.03849	2.9
121.06490	6.7
121.10131	84.5
122.10494	2.3
123.08044	3.3
123.11701	29.4
126.05505	2.2
127.03888	3.8
127.05859	6.5
129.06987	2.3
131.04886	2.1
131.08511	6.9
133.10106	4.6
135.08058	4.2
135.11676	50.3
136.12001	1.8
137.13245	2.8
145.10117	8.1
147.07950	2.8
147.11635	4.0
149.02328	100.0
149.05988	2.3
149.09593	2.6
149.13235	84.3
150.02692	4.2
150.13539	3.1
156.71970	1.4
159.07982	2.4
159.11655	7.9
161.13306	2.0
163.07542	1.5
163.11150	4.6
163.14804	14.1
177.09041	2.0
177.12701	4.0
177.16316	1.9
181.97862	1.7
187.07730	1.8
187.11218	5.2
187.14816	3.4
205.04980	6.7
205.08740	6.1
205.12378	11.3
205.14188	6.8
205.15970	11.0
205.19504	64.4
206.08115	5.5
206.19823	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03917	3.0
54.59214	1.4
55.01862	3.5
55.05503	27.6
56.96545	3.2
57.03405	1.6
57.06827	2.0
57.07068	24.8
60.04508	3.3
65.03923	8.4
67.05495	28.8
69.03416	3.5
69.05319	1.4
69.07059	42.2
71.08630	3.2
76.29936	1.4
79.05480	21.7
81.03423	7.6
81.07042	52.8
83.04966	2.5
83.08617	15.4
84.04500	2.9
85.02888	4.4
85.04790	2.3
90.41605	1.5
91.05459	13.1
93.03399	2.9
93.07031	68.4
95.04939	4.7
95.08594	59.3
97.02871	15.2
97.04796	2.9
97.06521	2.0
97.10143	15.4
98.03182	4.0
99.04436	4.2
103.05420	1.7
105.07008	16.5
107.04951	2.5
107.08579	76.3
108.04480	2.4
109.02876	7.4
109.06508	4.7
109.10142	63.2
111.04414	2.0
111.11717	8.2
117.07007	5.7
119.06143	1.6
119.08530	7.9
121.02860	13.7
121.03710	2.0
121.06516	8.3
121.10129	80.7
122.10474	2.4
123.08037	3.2
123.10872	2.3
123.11696	30.7
124.44013	1.8
127.03876	2.3
127.05856	3.9
130.07736	1.9
131.08572	7.2
133.10104	2.6
135.04349	1.5
135.08028	5.8
135.11676	59.8
136.11998	1.9
137.13228	3.6
143.08539	2.5
144.09340	2.8
145.06511	2.5
145.10086	10.5
147.08067	2.6
147.11667	5.7
149.02327	100.0
149.05948	2.8
149.09593	1.8
149.13234	85.2
150.02687	4.5
150.13518	2.0
159.08035	3.0
159.11641	7.6
161.13235	1.6
163.07495	1.6
163.11108	3.7
163.14804	11.4
167.03406	3.0
177.12726	2.7
177.16263	1.5
187.11182	4.2
187.14777	4.5
190.04921	1.7
190.11816	2.0
193.39516	1.5
205.04950	6.2
205.08710	6.9
205.12360	12.4
205.14099	7.9
205.15808	14.2
205.19508	58.1
206.08162	4.2
206.19901	2.3
228.97285	1.7
229.47020	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.24641	0.6
53.03949	2.0
55.05503	14.7
57.07074	6.1
65.03933	4.1
67.05496	100.0
68.05824	1.6
69.03417	1.0
69.07057	13.9
69.94499	4.3
71.04971	0.6
79.05486	37.7
81.03426	1.5
81.07045	83.8
82.07377	0.9
83.08610	9.3
85.02885	1.2
85.04869	0.8
91.05476	6.6
93.03354	0.9
93.07031	50.7
94.07371	1.0
95.04958	3.5
95.08597	36.9
96.08912	0.9
97.02868	3.0
97.10162	2.3
103.05475	0.7
105.07028	3.1
107.04957	1.1
107.08579	26.6
109.02881	1.4
109.06504	0.9
109.10143	28.9
110.95752	0.6
111.04412	0.8
117.07047	1.7
119.08577	3.0
121.02850	3.5
121.04037	0.7
121.06506	2.1
121.10130	69.6
122.10470	1.0
123.08096	0.9
123.11692	31.9
127.03850	0.9
127.05860	1.0
131.08569	2.1
133.10144	1.1
135.08084	2.3
135.11676	46.0
137.13254	5.5
145.10130	2.7
147.08072	1.4
149.02324	26.1
149.06065	0.7
149.09572	1.9
149.13246	16.7
150.02740	1.2
157.13353	0.7
159.11710	1.7
161.09615	1.1
161.13226	1.1
162.10381	0.9
163.11163	3.0
163.14799	6.9
176.11926	1.0
177.12575	1.0
187.11153	1.1
205.04977	1.8
205.06853	0.8
205.08714	1.5
205.12187	2.8
205.14243	2.1
205.15869	59.0
205.19478	55.7
205.66907	0.7
206.08119	0.7
206.16223	2.9
206.19850	1.6
209.10583	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1221
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03947	3.1
55.01871	2.5
55.05501	4.4
56.96552	2.1
57.07070	13.6
59.63960	1.2
60.04525	2.3
61.02905	1.3
65.03928	7.4
67.05499	8.6
69.03426	6.9
69.05349	1.3
69.07058	6.0
71.04990	6.5
71.74250	1.8
79.05481	11.6
81.03395	7.4
81.07046	13.6
83.04971	3.4
83.08634	1.6
84.04511	3.1
85.02901	5.7
85.04851	1.9
85.06535	1.3
91.05475	16.9
93.03410	1.7
93.07037	16.2
95.04977	6.4
95.08594	6.6
96.04493	1.5
97.02876	13.4
97.04797	1.6
97.06512	2.5
98.03193	2.0
99.04457	2.4
103.05466	4.5
105.07024	42.0
106.07354	1.8
107.04951	4.6
107.08587	12.5
109.02879	6.0
109.06515	7.6
109.10175	3.6
111.04491	3.2
114.05531	1.6
115.05399	3.4
116.06275	1.5
116.51579	1.6
117.07000	13.9
119.08564	44.5
119.97903	1.3
121.02853	15.6
121.03714	1.9
121.04015	1.7
121.06511	10.8
121.10134	27.6
122.19898	1.4
123.08135	3.5
123.11665	2.5
126.05542	1.9
127.03905	3.5
127.05844	3.6
127.18346	1.3
128.06177	3.1
129.07013	10.4
130.07753	10.5
131.08546	9.3
133.06490	1.5
133.10135	4.8
135.07153	1.4
135.08034	6.7
135.11676	7.5
141.06979	1.5
143.08548	6.7
144.09329	2.4
145.06494	4.6
145.10112	97.3
146.10486	2.3
147.08038	80.2
147.11659	2.0
148.08415	2.4
149.02328	100.0
149.05980	2.3
149.09625	4.9
149.13251	4.5
150.02707	2.4
159.08063	4.2
159.11676	13.3
161.09631	4.8
161.13293	2.6
162.10361	2.5
163.07532	2.7
163.11169	54.1
163.96870	1.5
167.03474	2.6
168.01604	1.4
169.10143	1.9
172.08875	1.6
177.05504	2.4
177.08965	1.7
177.12749	4.9
183.20375	1.4
187.03954	1.6
187.07666	2.2
187.11147	18.5
187.14804	2.6
189.10881	1.3
190.09877	2.5
205.04922	8.8
205.06792	2.2
205.08456	7.4
205.12244	34.8
205.14159	8.8
205.15662	9.2
205.19498	4.5
206.04504	1.9
206.08109	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.097
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
53.03938	0.5
55.01862	0.4
55.05489	0.3
56.96547	1.0
57.03420	0.4
57.07073	2.4
60.03493	0.3
60.04519	1.5
61.04858	0.4
65.03925	1.2
65.26386	0.3
68.28082	0.3
69.03408	1.0
70.06573	0.4
71.53822	0.6
71.54175	0.3
72.04498	0.3
73.02898	0.5
73.06565	0.4
74.02432	0.5
78.95260	0.5
79.05483	0.8
81.03397	1.4
81.07047	0.4
84.04503	0.4
84.08114	0.6
85.02902	1.4
85.04795	0.3
86.01670	0.3
88.03989	1.3
91.05457	1.2
93.03369	0.4
93.07022	1.0
93.99908	0.3
95.04967	0.4
97.02895	2.4
97.03481	0.4
98.03207	0.3
98.97593	0.4
99.04456	0.8
103.05453	0.5
104.33944	0.3
105.07027	3.9
107.04929	0.3
107.08590	0.6
109.02883	1.1
109.06415	0.4
109.07645	0.3
111.04422	0.5
115.05439	7.7
117.05748	3.6
117.07040	1.0
118.06537	2.1
119.07310	12.6
119.08578	0.7
119.97895	0.7
121.02844	2.9
121.03938	0.3
121.06529	0.7
121.10122	0.7
123.04482	0.3
127.03910	0.5
130.06523	1.0
130.07706	0.3
131.08542	0.9
132.08075	27.5
134.99608	0.3
142.06505	7.5
145.06485	0.4
145.10106	0.8
146.06032	0.7
146.99524	0.3
147.08044	0.4
149.02327	16.5
150.02661	0.4
158.96330	0.7
159.09160	100.0
160.07565	1.5
160.09503	1.4
163.02745	0.6
163.07565	0.4
163.96814	0.4
167.03375	0.6
170.05992	0.4
178.04996	0.4
181.97795	0.8
187.11200	0.5
188.07033	0.4
197.78792	0.3
205.04987	0.9
205.09702	6.8
205.12218	1.0
205.14131	0.6
205.15927	0.7
205.19427	0.3
206.08232	0.4
209.09303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03934	1.9
55.05503	13.7
57.07074	5.5
60.04520	5.6
61.02912	1.1
65.03944	1.4
67.05497	17.3
68.05015	5.7
69.07065	41.4
69.68269	6.0
69.68685	3.1
70.06561	1.3
76.99740	1.1
79.05471	9.1
81.03413	1.3
81.07049	61.5
83.08617	20.5
84.04504	16.5
85.02891	2.0
91.05473	19.4
93.07037	22.1
93.48592	1.2
95.08602	44.0
96.04492	8.5
97.02880	11.9
97.10143	2.8
98.06037	1.8
98.20683	2.4
105.07024	73.2
107.07906	1.5
107.08584	25.1
109.10146	36.7
110.06043	1.5
114.05537	9.8
115.05413	1.3
117.07005	3.4
119.08574	61.3
121.10133	23.6
123.11702	15.6
126.05495	19.6
127.03890	1.4
131.08548	5.6
133.10123	46.2
135.11705	9.0
138.05487	3.2
142.07767	1.2
143.08502	1.9
144.06523	4.7
145.10100	13.7
146.10857	1.7
147.11676	100.0
153.32198	1.2
157.10138	1.2
159.11652	4.9
160.12463	9.9
161.09637	1.3
161.13249	28.1
168.06516	2.1
173.13237	1.7
174.14201	1.1
175.14854	3.5
186.07645	2.2
190.06964	1.2
203.10669	1.7
203.14294	4.0
203.17940	86.3
204.08611	11.2
204.13850	6.8
204.18137	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05502	11.5
57.07048	1.9
60.04515	1.2
61.14599	1.0
65.03919	1.1
67.05493	42.1
69.07056	20.0
69.76731	6.1
69.77140	2.0
75.18374	0.9
79.05479	9.0
79.62821	1.1
81.07043	45.0
83.08601	4.7
84.26895	1.0
91.05463	14.4
92.38230	1.1
93.07032	16.2
95.08594	71.0
97.02845	1.7
100.74742	1.1
105.07013	59.9
107.08572	28.3
109.10142	100.0
110.10447	1.2
117.06979	2.7
118.07693	1.1
119.08562	56.0
119.39021	1.2
120.08907	1.1
121.10126	19.6
123.11689	6.9
124.01138	1.1
126.05489	1.2
131.08549	2.6
132.09244	1.0
133.10101	38.5
135.11685	8.8
145.10092	5.5
147.11661	79.0
148.12090	1.2
159.11667	2.3
160.12436	2.7
161.13226	22.8
175.14838	7.0
203.17923	88.0
204.08551	1.4
204.18309	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.10906	1.0
53.03915	1.3
55.05503	9.9
57.07060	3.5
58.57961	1.2
60.04507	1.5
65.83813	1.0
67.05499	39.4
69.06731	1.7
69.07065	21.9
70.47240	2.8
79.05485	10.0
81.07049	46.0
83.08614	5.3
91.05464	12.7
93.07040	18.1
95.04966	1.6
95.08596	72.8
97.10128	1.2
105.07019	64.8
107.08579	28.2
109.06490	1.7
109.10149	85.7
117.07000	1.4
119.08572	59.1
121.10128	20.1
123.11686	9.4
131.08531	4.5
133.10115	39.9
135.11665	7.1
145.10168	6.4
146.10820	1.3
147.11670	84.0
159.11667	3.1
160.12366	3.7
161.13249	25.5
175.14795	8.7
183.74199	1.1
186.96692	1.1
203.17935	100.0
204.18283	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03926	1.6
55.05501	12.7
57.07056	1.5
60.04505	4.3
61.79122	1.1
65.03920	1.4
67.05498	44.0
69.06737	1.7
69.07065	21.6
70.18883	2.7
70.19279	2.9
79.05486	10.1
81.07047	49.0
83.08615	7.0
84.04487	2.9
91.05471	15.3
93.07040	20.0
95.04963	1.5
95.08597	78.5
97.02875	2.3
97.10150	1.5
105.07020	60.0
106.07357	1.7
107.08581	25.8
109.10146	100.0
110.10472	1.7
114.05528	2.9
117.06990	2.7
119.08571	55.6
121.10140	20.1
123.11671	8.9
126.05481	2.9
131.08534	5.6
133.10114	40.1
135.11681	7.7
143.08496	1.5
145.10101	7.4
147.11667	79.8
148.12111	1.9
157.10153	1.7
159.11679	4.1
160.12421	2.4
161.13263	21.9
168.65082	1.6
175.14769	8.0
190.19193	1.3
203.07129	2.2
203.10631	2.9
203.14275	4.7
203.17934	87.3
204.08601	3.1
204.13800	3.5
204.18321	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03921	1.5
54.48269	0.9
55.05504	13.1
57.07056	3.0
59.74882	1.0
60.04500	3.9
65.03928	1.4
67.05497	28.5
67.60451	0.9
68.05009	2.4
69.07059	24.6
70.18903	2.8
70.19310	2.2
71.23187	0.8
79.05476	13.0
81.07044	56.3
83.08598	6.9
84.04506	6.3
85.02906	1.2
91.03886	1.0
91.05470	21.5
93.07031	26.1
95.04906	2.4
95.08593	76.6
96.04459	3.6
96.08973	1.1
97.02876	5.9
97.10117	2.7
98.06006	1.2
100.13118	1.0
101.28638	0.8
105.07016	74.5
107.08578	30.1
109.10142	58.6
114.05498	4.3
117.06991	2.9
119.08566	66.7
120.08917	1.4
121.10131	26.7
122.10406	1.2
123.11681	14.4
126.05492	8.4
131.08545	6.5
132.09312	1.4
133.10107	48.4
135.11676	7.3
138.05487	1.4
142.07767	1.1
144.06563	1.5
145.10063	7.7
146.10716	0.9
147.11665	86.0
148.12181	1.4
149.26797	1.0
159.11624	3.8
160.12411	3.6
161.09636	1.7
161.13239	26.9
175.11095	1.0
175.14806	6.0
176.07100	1.0
188.10765	1.0
189.11469	1.3
203.10648	2.6
203.14247	4.3
203.17924	100.0
204.08592	4.9
204.13773	3.9
204.18327	2.3
214.94643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.36075	0.5
53.03928	0.7
54.67487	0.5
55.05495	5.5
57.07054	1.0
65.03960	0.6
67.05132	0.9
67.05497	21.5
69.07060	8.8
69.62997	4.0
79.05480	8.6
81.07047	28.2
83.08620	2.8
84.04488	0.7
91.05473	12.5
93.07034	23.2
95.04926	1.2
95.08596	67.0
96.08893	0.5
97.02888	1.0
97.10154	1.3
98.21509	0.9
105.07021	46.1
106.07313	0.7
107.08584	40.5
109.06525	0.7
109.10148	42.6
110.10500	0.7
112.43604	0.6
117.06970	1.2
119.08567	36.8
121.10126	18.0
123.11702	7.3
126.05498	0.9
131.08537	1.8
133.10110	25.5
135.11642	2.9
137.91896	0.5
145.10091	2.1
146.10863	0.7
147.11668	45.6
148.12068	0.7
154.45020	0.6
159.11653	0.8
160.12431	0.8
161.13248	17.9
164.73521	0.6
175.14815	7.7
203.17934	100.0
204.13873	0.7
204.18311	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03931	2.8
55.05504	11.1
57.07056	3.5
60.04502	1.5
67.05505	18.6
68.04990	1.6
69.07061	23.8
70.10479	2.2
70.10888	3.8
79.05491	9.6
81.07043	49.5
83.08605	14.6
84.04499	1.5
91.05464	18.1
93.07031	21.0
95.08596	55.8
96.04457	1.2
98.20760	1.4
105.07018	63.5
105.86508	1.1
107.08578	31.2
109.10146	44.1
117.07004	2.8
119.08568	49.3
120.46147	1.2
121.10130	24.3
123.11680	11.5
126.05493	2.0
131.08530	4.2
133.10117	71.0
134.10295	1.5
135.11667	6.9
145.10112	9.2
146.10820	1.7
147.11671	85.3
148.12033	1.7
157.97017	1.3
159.11710	3.7
160.12463	10.0
161.13245	27.5
175.14848	6.7
198.88622	1.4
203.17931	100.0
204.08841	1.8
204.18268	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05492	11.1
55.20121	1.3
57.07048	3.8
59.24714	1.5
60.36975	1.7
61.50896	1.4
62.82653	1.5
67.05179	2.0
67.05495	22.7
68.00156	1.5
69.07053	22.6
71.34162	1.8
71.34489	3.2
72.91390	1.6
75.64330	1.5
79.05488	10.4
81.07037	43.3
83.08607	4.4
84.21191	1.8
91.05460	20.4
93.07038	22.9
95.07996	3.1
95.08594	64.9
105.07016	79.2
107.08584	30.6
109.06518	1.9
109.10139	51.7
119.08561	57.0
121.10120	23.8
123.11692	9.6
125.77165	1.7
131.08557	4.0
133.10104	51.2
135.11722	3.2
145.10063	4.5
145.15865	1.7
147.11661	78.9
159.11668	1.9
160.12434	1.7
161.13228	26.4
175.14792	10.4
191.60342	2.5
203.17928	100.0
204.18108	1.8
224.56088	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05504	8.7
57.07071	1.7
60.04508	2.5
67.05497	16.8
68.05013	1.7
69.07063	20.3
70.27206	4.8
79.05491	10.5
81.07045	39.8
83.08598	3.3
84.04484	4.1
91.05471	19.1
93.07038	17.5
95.04913	1.3
95.07993	2.4
95.08596	43.6
96.04486	3.1
97.02856	3.4
97.10155	1.5
98.21448	1.2
105.07018	60.7
107.08585	22.7
109.10146	32.3
114.05524	2.3
115.05366	1.5
117.06993	3.5
119.08572	52.1
121.10132	18.3
123.11703	6.2
126.05505	4.3
131.08542	5.2
133.10110	44.0
133.11134	2.2
134.10419	1.3
135.11662	5.0
144.09389	1.2
145.10123	11.0
147.11668	85.8
148.12071	1.5
159.11684	4.3
160.12497	8.2
161.09563	1.2
161.13246	26.7
161.14525	2.1
163.17938	1.4
175.14815	6.4
185.13196	1.4
201.19814	1.0
203.14262	4.6
203.17935	100.0
204.08578	1.7
204.13860	3.4
204.18260	3.9
215.39302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
54.76464	0.7
55.05503	12.2
57.07056	2.6
60.04517	6.2
61.02914	0.8
65.03936	1.7
67.05186	1.2
67.05502	14.1
68.05016	2.6
69.03398	0.7
69.07059	14.4
71.74797	1.3
71.75212	0.9
79.05479	8.2
81.03386	1.0
81.06599	1.5
81.07050	22.2
83.01308	1.1
83.08603	5.8
84.04497	9.4
84.25136	0.7
85.02884	1.6
88.32533	0.8
91.05472	20.7
93.07037	15.0
95.04960	1.8
95.08598	42.2
96.04482	6.3
96.08933	0.8
97.02886	6.3
97.10139	1.7
98.06008	1.3
99.04440	0.8
103.05470	1.2
105.07021	56.7
106.07322	0.9
107.08579	22.7
109.06528	1.8
109.10153	26.9
110.06026	1.2
114.04790	0.8
114.05524	6.0
115.05472	1.7
117.07017	6.0
119.08573	63.3
120.08929	0.9
121.06544	0.8
121.09264	0.8
121.10134	14.4
123.11691	5.8
126.05492	10.4
127.03928	1.1
128.06232	0.9
129.06996	2.9
131.08554	8.6
133.06429	1.6
133.10117	76.9
135.11690	3.8
138.05469	1.5
142.07745	2.4
143.08542	2.8
144.06540	2.0
145.10120	12.9
146.10666	0.9
147.04402	0.8
147.08052	1.2
147.11671	57.1
148.12140	1.0
157.10182	4.1
159.11679	10.6
160.12476	4.0
161.05983	0.8
161.09579	2.5
161.13257	28.4
168.06590	1.6
173.13231	2.0
174.14029	3.3
175.07607	1.0
175.11090	1.3
175.14841	10.5
185.09616	1.1
185.13165	2.2
186.07608	1.3
188.15712	1.5
189.11519	1.2
203.03413	1.2
203.07037	2.6
203.10718	5.9
203.14359	11.5
203.17941	100.0
204.06706	1.4
204.08630	7.4
204.13853	7.3
204.18272	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.107
Annotation	L-Dihydroanticapsin
Peak:m/z	Relative Intensity
52.50114	1.5
53.03926	2.1
55.01849	2.5
55.05490	10.6
55.93540	1.8
56.05022	4.6
56.96547	4.5
57.03413	3.7
57.07058	10.1
58.06593	7.8
59.06104	1.5
60.04511	3.7
67.05488	8.6
68.05006	7.1
69.03413	6.6
69.07044	7.8
70.02946	1.6
70.06573	15.4
70.07846	8.0
70.69566	1.4
71.04963	2.2
72.08138	29.8
72.93759	2.4
74.02429	60.8
79.05466	3.0
81.07036	6.1
82.02930	29.9
82.03390	1.1
82.06577	3.5
83.08613	4.7
84.04491	11.6
84.08128	65.9
85.02891	4.1
85.06541	14.8
86.06042	16.8
86.09217	2.5
86.09689	19.1
87.04449	36.0
88.03972	1.9
89.10765	2.3
91.05446	4.5
91.11736	1.6
93.07013	15.3
95.04935	4.5
95.08590	33.3
96.04477	33.0
96.08111	2.9
97.02863	17.1
97.55095	1.5
98.02406	1.9
98.06038	42.7
98.97557	2.1
99.09243	1.8
100.03966	10.1
101.09562	1.7
102.05481	2.4
108.08108	1.8
110.06031	7.8
110.09667	21.2
111.08060	4.3
112.11220	25.8
113.05968	1.7
114.05500	7.0
114.95612	1.9
115.12286	4.2
116.98591	2.6
119.01910	4.1
120.08049	2.5
121.06470	6.5
124.07578	2.7
128.04979	1.9
128.07047	6.2
128.10701	20.4
129.10146	2.9
129.13844	8.1
130.04987	1.9
130.06471	3.4
132.09166	1.5
132.10152	10.6
132.96660	2.8
134.01266	1.8
137.02911	2.1
138.05510	3.0
138.09116	57.6
139.07544	17.0
140.10678	31.4
140.11752	2.5
142.04999	5.9
142.08641	2.8
146.05986	3.2
156.04431	5.0
156.10173	97.4
157.07903	2.5
157.10217	2.3
158.11743	100.0
161.08232	1.8
165.36606	1.7
166.08591	2.9
174.05446	10.1
174.11232	26.5
175.07487	2.4
178.03961	2.0
184.06053	2.4
184.09639	45.2
198.00107	1.8
202.05090	3.5
202.06911	2.7
202.08621	5.1
202.10741	13.9
202.12302	1.3
203.08514	2.1
203.14313	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1634
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05502	2.7
57.07050	3.3
65.21154	1.1
65.52943	1.1
67.05477	4.6
69.07056	8.1
69.43586	7.7
69.44009	4.2
70.01314	1.1
79.05460	4.2
81.07047	12.1
83.08668	1.1
87.26914	0.9
91.05460	6.5
93.07039	6.8
95.08597	10.6
96.12316	1.0
105.07024	14.4
107.08565	7.5
109.10131	3.0
115.05437	1.3
117.06995	12.0
119.08566	14.7
121.10143	5.1
128.06203	1.5
129.06992	3.2
130.07808	5.4
131.08543	24.5
133.10129	9.4
142.07750	3.1
143.08548	11.3
144.09280	6.7
145.06450	1.3
145.10106	65.8
147.11659	2.7
156.09334	1.2
157.10124	5.9
158.10883	5.3
159.11670	55.5
160.12012	1.3
168.09277	1.8
171.11642	8.9
172.12466	2.0
173.13229	14.5
183.11668	2.0
186.14021	8.1
201.12849	5.1
201.16360	100.0
202.16678	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1635
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.13656	0.9
50.30094	0.8
53.03932	1.6
53.62677	0.8
54.86510	0.8
55.01872	1.3
55.05510	6.1
57.03419	3.7
57.07074	5.5
57.43505	0.8
65.03924	1.6
67.05499	9.7
69.03410	0.8
69.07060	9.6
71.04978	1.4
71.08605	2.2
72.50410	0.7
73.65990	0.8
79.05484	11.4
81.03384	0.9
81.07049	30.6
83.08597	3.1
84.08147	0.8
91.05471	22.2
93.07038	14.8
95.04964	4.2
95.08598	17.9
98.21541	1.7
99.08086	0.9
100.28313	0.8
103.05452	1.4
105.07020	31.9
107.08580	17.9
109.06518	2.4
109.10139	5.0
111.04443	1.3
114.05556	1.0
115.05438	3.6
116.06206	1.8
117.07006	24.5
118.96735	2.8
119.07716	1.9
119.08569	37.4
120.08890	0.9
121.06429	0.9
121.10141	9.9
127.03895	2.5
128.06200	6.3
129.06992	10.4
130.07793	8.7
131.08549	51.4
133.10114	13.3
135.11652	1.1
141.05324	1.0
141.06984	1.5
142.07764	5.3
143.08551	17.3
144.09343	10.5
145.06480	2.8
145.10110	96.0
146.10797	3.2
147.11653	2.6
153.06967	1.6
154.96422	1.5
155.07321	0.9
155.08556	3.3
157.10132	10.7
158.07207	1.3
158.10907	6.2
159.08096	4.2
159.11679	92.6
160.12157	2.0
165.05463	1.1
168.09274	3.0
171.08035	1.2
171.11685	5.5
172.08800	2.4
172.12448	2.6
173.09627	1.6
173.11850	1.4
173.13264	20.8
177.59105	1.1
177.97942	1.3
183.06622	1.4
183.11670	4.2
186.10310	2.6
186.14012	3.9
201.05539	1.4
201.09088	2.2
201.12753	20.7
201.16365	100.0
202.13069	1.2
202.16690	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1635
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
55.05499	0.6
57.03437	0.6
57.07067	4.6
67.05489	1.3
68.43527	0.3
69.07065	0.7
70.06526	0.3
71.08618	6.0
76.11525	0.3
79.05479	1.0
81.03368	0.3
81.07038	4.0
88.07609	0.7
91.05472	3.6
91.77730	0.2
93.07047	1.2
95.04937	0.5
95.08586	0.9
98.21456	0.7
103.05451	0.5
103.09499	0.3
105.07015	11.5
107.08581	1.1
109.06472	0.3
109.10107	0.3
114.95631	0.4
115.05447	0.8
116.06198	0.5
117.07002	6.9
118.96730	1.4
119.08556	2.0
121.10107	0.7
123.11626	0.3
127.03896	0.6
128.06215	1.2
129.06978	2.2
130.07771	5.1
131.08560	13.7
132.08911	0.4
132.96695	0.5
133.10123	0.9
133.99149	0.3
137.05974	0.5
141.06921	0.3
142.07787	0.8
143.08554	5.8
144.09323	2.4
145.10104	100.0
146.10442	2.8
148.32524	0.3
153.06995	0.3
154.96391	0.3
155.08562	0.7
157.10130	2.1
158.10915	0.9
159.08069	0.9
159.11674	24.1
160.12010	0.4
168.09338	0.7
172.12451	0.6
173.09599	0.5
173.13235	2.3
177.98105	1.0
183.11699	1.1
186.10391	0.4
186.14012	0.5
201.05508	0.5
201.09064	1.2
201.12743	5.3
201.16373	12.3
201.20352	2.9
202.16716	0.3
205.49542	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1635
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03933	2.3
55.01859	1.8
55.05507	7.4
56.96543	2.2
57.03423	4.8
57.07065	6.5
57.93815	1.1
67.05495	9.5
69.03414	3.9
69.07055	10.7
70.06586	1.7
71.04984	1.3
71.08620	1.5
71.74643	2.0
72.87947	1.4
79.05479	12.2
81.03384	1.4
81.07046	31.6
83.04978	1.7
83.08592	1.6
84.08119	3.0
85.02903	2.5
86.00109	1.6
86.09693	2.9
91.05463	14.9
93.07034	17.7
95.04955	4.1
95.08594	19.8
103.05457	3.1
105.07027	29.8
107.08579	23.0
109.06503	2.9
109.10145	8.6
111.66248	1.6
115.05445	10.0
116.06222	1.8
117.07012	22.0
118.96765	2.6
119.08570	20.7
120.05580	1.6
121.10135	12.2
123.04397	2.0
127.03913	7.0
128.06201	11.7
129.06998	11.9
130.04086	2.1
130.07811	7.0
131.08553	45.5
133.10118	10.6
137.05937	4.0
137.09596	2.1
141.05475	1.8
141.06978	9.8
142.07759	4.6
143.08553	30.2
144.09348	12.5
145.06456	10.1
145.10112	79.4
146.10776	3.1
153.06949	1.6
155.04932	1.6
155.07111	1.5
155.08524	6.5
157.10100	16.7
158.03549	7.8
158.07230	4.9
158.10904	7.2
159.08040	4.0
159.11678	73.2
160.12242	1.9
168.09332	5.1
171.08035	1.6
171.11703	5.3
172.12453	2.9
173.05971	14.5
173.09596	3.8
173.13246	19.0
177.98119	3.6
183.04391	3.6
183.08031	2.8
183.11719	7.2
186.03101	2.1
186.06778	4.5
186.14032	3.4
201.05441	24.7
201.08990	14.5
201.12701	25.9
201.16371	100.0
201.19354	2.9
202.10953	2.1
202.13017	1.8
202.16724	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1635
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03924	2.1
54.72481	1.0
55.05506	6.3
57.03408	4.5
57.07047	4.3
67.05492	11.0
69.03398	1.2
69.07059	8.2
69.84544	1.1
70.06603	1.1
71.08626	2.1
71.32043	2.5
79.05482	11.0
81.07047	43.3
83.04935	1.4
83.08601	2.7
84.04501	1.5
85.02879	2.0
91.05465	12.9
93.07038	15.5
95.04952	3.0
95.08591	21.9
97.02830	1.4
99.08085	1.3
103.05493	1.1
105.06318	2.4
105.07014	32.8
107.08581	22.8
109.06523	2.3
109.10125	5.9
114.95634	1.8
115.05435	3.5
116.06213	1.4
117.06995	21.2
118.96744	6.6
119.08564	18.7
121.10128	8.6
125.40028	1.0
127.03892	2.9
127.07512	2.2
128.06224	7.3
129.07002	7.7
130.07777	8.0
131.08549	48.5
132.08960	1.5
132.96675	2.6
133.10092	9.8
133.99025	1.8
137.05931	1.4
141.07018	1.9
142.07753	4.1
143.08546	22.5
144.09360	9.7
145.06456	4.9
145.10106	90.4
146.10883	7.7
147.11650	2.2
150.95737	1.4
153.06917	2.0
154.96469	2.2
155.07129	1.2
155.08568	3.8
157.10092	8.3
158.10881	5.9
159.11678	87.9
160.12141	1.9
168.09344	3.5
170.43864	1.0
171.11671	3.8
172.12389	1.9
173.05943	1.3
173.09633	3.0
173.13231	22.0
177.98061	5.7
178.96025	1.9
183.06546	1.7
183.11681	4.5
186.13979	3.1
201.05420	1.9
201.09102	4.0
201.12720	20.3
201.16360	100.0
202.13181	1.5
202.16733	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08173	0.5
53.80372	0.5
54.10319	0.5
55.01870	1.4
55.05510	1.7
56.05032	1.2
56.96561	5.4
57.03426	1.4
58.99845	0.6
60.04515	1.2
67.13834	0.5
69.03410	1.5
69.07042	1.1
70.06587	2.2
70.79188	1.6
71.04987	0.8
72.08140	1.7
73.02909	1.6
77.00887	0.7
77.63757	0.7
81.03387	1.2
81.07024	0.7
82.99819	1.3
83.04941	0.7
84.04468	0.8
84.08118	5.2
84.96044	0.7
85.02887	1.9
86.06043	2.1
86.09691	3.2
86.32227	0.6
87.04466	2.2
87.05579	0.8
87.06403	0.7
88.04778	0.8
91.05475	1.8
95.04943	0.9
95.08582	0.5
97.02892	1.5
97.06541	0.9
98.06862	1.0
98.20800	0.8
98.97572	4.6
99.04420	0.6
101.00867	11.5
101.02515	0.5
103.00621	0.9
105.07006	0.7
107.04933	0.6
109.02901	0.6
110.97555	0.9
112.99068	0.6
113.00842	1.4
114.05518	0.7
116.98602	4.7
117.06994	0.7
118.03500	1.5
118.96749	4.2
119.01907	100.0
119.08543	0.6
120.02020	3.8
120.03243	1.0
121.01661	4.6
121.02369	0.8
127.03900	2.7
128.06183	1.5
128.10696	1.3
128.98610	1.0
129.07013	0.8
129.10260	0.7
131.01886	16.4
131.08560	1.1
132.01968	2.8
133.03412	2.9
133.99136	1.1
134.99651	2.7
135.03191	1.7
136.02740	1.0
136.04549	1.4
137.02946	58.7
137.05882	3.1
138.03035	2.8
138.06316	1.3
139.02641	1.3
141.05464	0.8
142.03500	5.3
142.04623	0.7
143.08533	3.8
145.03461	3.6
145.06485	1.2
145.10141	1.9
146.99638	0.7
149.02946	12.0
150.03093	0.7
151.02579	0.6
151.04550	1.6
153.00713	1.2
154.03587	1.0
154.96458	1.8
155.01822	1.0
155.03612	1.8
155.53828	0.6
157.10179	0.7
158.97253	1.0
158.99648	0.6
159.11687	1.9
160.03311	0.6
160.04549	4.7
161.02899	1.4
163.02777	0.5
163.04509	2.1
165.05408	0.9
168.09273	1.0
173.01375	0.9
173.02937	8.9
173.04353	1.9
173.13037	1.8
174.04332	0.9
175.04526	0.8
175.83009	0.5
176.98280	1.8
177.00694	1.5
177.02327	1.3
177.98047	2.3
178.02489	0.8
178.05611	2.0
179.04025	1.2
183.01390	1.2
183.11841	0.8
183.66116	0.6
191.02313	1.1
191.03932	13.5
191.05449	1.0
201.02428	33.9
201.04112	2.7
201.12796	4.8
202.02486	1.0
207.42445	0.7
219.03462	54.5
220.03514	1.4
224.03967	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.01862	3.8
55.05506	12.1
56.05035	24.5
56.96302	3.0
56.96559	49.8
57.03433	39.7
58.06587	2.3
58.99857	3.0
59.06130	2.3
60.04507	4.8
61.02905	6.3
67.05488	9.0
68.04998	8.3
68.47544	2.2
69.03425	28.7
69.06741	2.5
69.07069	30.2
70.06589	29.0
70.08514	11.3
71.04976	3.9
71.95216	2.8
72.04494	3.1
72.08134	7.2
73.02914	16.4
73.36817	1.9
74.06083	2.6
76.41218	1.9
77.00891	4.4
78.00982	2.2
79.05487	12.2
80.05019	2.1
81.03409	5.4
81.07053	29.0
82.06144	2.1
82.06577	26.8
83.06040	2.4
83.08588	2.0
84.04502	38.1
84.08131	23.1
84.96001	6.0
85.02891	18.0
86.05534	3.5
86.06060	76.4
86.09696	26.9
87.04459	97.6
88.07619	2.3
91.05486	14.3
92.05807	2.3
93.07034	4.4
94.04172	2.5
94.06545	5.8
95.04971	2.2
95.06079	3.2
95.08592	5.8
96.04517	2.2
96.08105	8.9
97.02901	14.7
97.06523	73.3
98.06034	6.1
98.09667	9.7
98.20737	4.2
98.97571	65.9
99.04432	3.8
99.05593	2.4
99.08084	25.8
100.02463	6.3
100.07590	2.8
101.00862	9.6
102.05532	12.2
103.05392	2.3
104.07096	9.1
105.06995	3.2
108.08125	4.2
109.02848	4.8
109.06432	2.4
110.06008	3.1
110.07121	3.6
110.09657	4.4
110.97552	7.0
111.04409	2.8
112.07602	11.7
114.05502	3.6
114.09157	51.5
116.07035	2.4
116.10705	6.0
116.97321	2.9
116.98616	76.1
118.03513	12.7
118.96756	11.0
119.01913	88.1
119.04912	8.3
120.02027	18.2
120.03231	3.9
120.08068	3.3
121.01651	9.0
121.06502	3.6
121.88836	2.2
122.03619	5.5
124.07533	4.0
126.09138	7.4
127.03887	5.9
128.02321	3.6
128.06178	2.4
128.07045	23.4
128.98605	16.2
129.10237	15.6
130.03474	8.2
131.00180	2.3
131.01889	31.9
131.08511	3.3
132.05077	3.8
133.03438	7.4
133.98982	2.4
134.02879	3.6
134.03722	3.0
134.99652	100.0
135.03075	6.7
136.02802	2.4
136.04510	14.1
136.06172	3.1
136.07602	2.9
137.02942	49.0
137.05968	70.6
138.03046	6.6
138.04187	2.8
138.06337	3.9
138.09160	11.1
138.10086	2.3
139.02654	2.1
140.00107	4.8
140.02336	2.5
140.03363	6.6
140.07091	3.5
141.05144	2.0
142.03471	7.6
142.08611	9.9
143.01848	4.4
143.08490	3.9
144.99757	3.8
145.03427	3.1
145.10106	2.3
146.99635	18.0
147.01411	3.4
147.04456	10.6
148.04633	4.3
149.01195	2.5
149.02907	16.2
150.06134	4.1
151.04506	5.3
151.07474	3.5
152.02330	2.4
153.00699	24.9
154.03484	14.3
154.08620	13.3
154.12260	20.7
154.15776	2.4
154.96471	4.1
156.05086	3.3
156.10191	17.6
157.04636	2.8
157.97537	4.1
158.01233	10.6
158.02965	6.9
158.04469	9.4
158.97238	4.3
158.99654	6.9
159.11665	2.8
160.04570	5.4
161.01369	5.4
161.02927	14.1
165.00705	5.4
168.01407	4.8
172.04527	20.8
172.09697	4.1
173.01205	3.9
173.02808	4.3
174.06071	5.4
175.05623	4.0
175.98566	9.7
176.02423	4.4
176.04044	15.0
176.05598	2.0
176.98358	7.4
177.00877	16.4
177.02260	17.6
177.03943	5.1
177.98027	5.8
179.07007	5.9
182.03075	3.4
182.08131	3.4
182.11729	9.3
189.00682	6.1
190.05554	9.1
191.03947	7.8
194.03438	2.4
195.01756	5.6
195.03471	5.2
195.05052	3.3
200.03743	19.0
200.05513	4.8
200.07288	4.5
200.09023	5.8
200.12790	83.4
200.14619	4.6
200.19102	8.7
201.00685	4.3
201.02298	16.0
201.09070	2.3
201.12874	6.6
209.05579	2.4
210.02010	3.4
218.03282	3.5
218.05031	17.5
219.01648	7.1
219.03488	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.01856	2.8
55.05491	4.8
56.05029	12.9
56.96300	1.8
56.96557	25.8
57.03431	18.0
57.70759	1.0
58.06596	1.3
58.99847	5.2
59.63291	1.0
60.04517	1.2
60.43671	1.1
60.99598	1.2
61.02922	1.2
67.05485	3.6
68.05003	2.6
69.03432	7.3
69.07054	11.4
70.06582	12.1
70.99842	2.3
71.04971	2.4
71.73605	1.9
71.95244	2.4
72.04517	2.1
72.08128	3.8
73.02891	3.3
75.10072	1.4
77.00906	7.5
77.64740	1.1
78.00970	1.7
79.00647	1.3
79.05470	5.1
80.04973	2.0
81.03384	1.9
81.07037	12.4
82.01414	3.3
82.06562	2.8
84.04491	18.3
84.08131	9.1
84.96000	1.3
85.02900	8.1
86.06058	32.2
86.09693	11.3
87.03943	2.3
87.04459	43.6
88.07585	1.2
89.00869	2.0
91.02430	3.5
95.01901	3.5
95.06058	1.5
95.08563	2.1
96.08112	4.3
97.02852	3.8
97.06516	30.7
97.07545	1.4
98.06075	2.8
98.09673	5.3
98.96955	2.3
98.97572	34.7
99.04411	1.0
99.08085	12.0
100.02467	18.0
101.00847	13.5
101.02428	2.3
102.00943	2.8
102.02232	2.4
102.05509	6.5
104.07097	5.4
105.00301	1.2
105.02170	1.4
108.08080	1.1
109.03482	2.5
110.06018	2.8
110.07188	1.6
110.09663	2.3
110.97596	1.2
111.04453	1.7
112.07561	4.6
113.00864	2.9
114.09163	20.6
115.02368	1.1
116.10689	1.6
116.97288	1.8
116.98615	45.2
118.02705	1.8
118.03509	28.6
118.96703	3.0
119.01904	100.0
120.01987	16.8
120.03250	3.7
121.01673	5.3
121.03465	1.5
123.03194	1.6
126.09138	5.2
126.98798	1.4
128.02336	1.9
128.07072	2.8
128.98555	4.4
129.10210	4.6
130.03474	3.4
131.01886	50.8
132.02005	1.5
132.05080	1.9
133.01646	2.4
133.03452	10.4
134.02924	4.1
134.03712	3.1
134.99641	41.0
135.03130	5.1
136.02527	1.3
136.04535	21.4
136.06158	3.7
136.07573	1.4
136.11194	1.7
137.02948	58.9
137.04620	2.3
137.05913	13.5
138.03065	5.3
138.04034	1.1
138.09084	4.9
140.00221	2.1
140.03380	1.5
140.07062	1.7
141.05067	1.6
142.03496	5.2
142.08614	3.9
142.09721	1.3
144.99814	18.5
145.03444	2.5
146.99626	5.7
148.04408	1.7
149.02942	42.8
150.02959	1.4
150.06146	1.9
151.04466	6.7
152.04637	1.2
153.00677	11.3
153.96655	1.6
154.03470	33.0
154.08577	6.1
154.12239	3.7
154.96425	1.6
156.05017	5.2
156.06227	1.4
156.10193	9.0
157.97575	3.2
158.01248	6.2
158.03000	4.6
158.04495	1.7
158.99625	3.5
159.01363	4.3
160.04514	6.5
161.01353	1.9
161.02905	6.1
161.04675	1.2
163.00839	4.8
167.04396	2.1
168.01428	16.7
172.04536	43.7
172.09698	2.8
173.02899	8.7
173.04276	2.1
174.06123	5.3
174.98421	1.5
175.11839	1.3
175.98636	6.5
176.00920	2.3
176.02299	3.3
176.04012	9.5
176.98296	4.4
177.00728	9.4
177.02411	36.1
177.03833	1.4
177.98013	1.7
178.05577	1.9
180.13658	1.2
182.01593	1.3
182.02965	7.8
182.04459	2.3
182.08031	2.1
182.11734	4.0
186.02504	2.7
189.00671	2.9
189.02304	1.4
190.05591	23.2
191.03993	10.2
195.01776	2.9
195.03435	17.4
195.06183	1.7
200.02443	1.8
200.04015	51.3
200.05437	2.0
200.07295	2.5
200.09071	2.2
200.12787	40.6
200.14597	2.7
200.19106	3.7
201.00713	1.3
201.02412	25.9
201.04166	3.1
217.99678	3.1
218.03539	1.7
218.05080	37.0
218.08478	2.1
219.01839	2.4
219.03479	41.9
219.05106	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1478
Annotation	CADALENE
Peak:m/z	Relative Intensity
53.03934	1.4
55.01859	0.5
55.05510	4.6
56.96557	1.8
57.07061	1.3
57.93558	0.6
67.05497	1.3
67.75854	0.5
69.07065	4.9
70.07399	0.8
70.84562	0.9
70.84908	1.1
72.04507	0.5
74.09723	4.5
79.05477	5.3
81.07043	2.1
83.08609	1.8
84.08934	0.6
86.76659	0.5
91.05472	8.2
93.07029	11.5
95.04949	2.4
100.07587	1.4
103.05489	0.8
105.04544	0.9
105.07016	17.5
107.08569	6.9
109.06525	0.6
114.45406	0.5
115.05446	1.7
116.97202	5.8
116.98568	0.5
117.07008	1.5
119.08564	21.7
121.10149	0.7
128.06201	8.2
129.06990	9.9
130.07753	0.6
131.08533	2.3
131.99580	0.8
133.10112	1.5
141.06978	5.0
142.07764	26.7
143.08543	36.6
144.09270	2.1
145.10062	2.8
152.96896	1.9
154.07744	0.8
155.08528	6.9
156.09320	15.5
157.10109	65.6
158.10782	1.9
159.11673	0.5
164.69077	0.5
166.58420	0.6
169.10112	16.6
170.10889	9.6
171.11670	23.1
172.12061	0.6
175.98503	3.5
183.11681	1.7
184.12459	19.1
197.13304	1.1
199.11108	2.8
199.14796	100.0
199.18808	20.3
200.15172	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.01856	2.8
55.05491	4.8
56.05029	12.9
56.96300	1.8
56.96557	25.8
57.03431	18.0
57.70759	1.0
58.06596	1.3
58.99847	5.2
59.63291	1.0
60.04517	1.2
60.43671	1.1
60.99598	1.2
61.02922	1.2
67.05485	3.6
68.05003	2.6
69.03432	7.3
69.07054	11.4
70.06582	12.1
70.99842	2.3
71.04971	2.4
71.73605	1.9
71.95244	2.4
72.04517	2.1
72.08128	3.8
73.02891	3.3
75.10072	1.4
77.00906	7.5
77.64740	1.1
78.00970	1.7
79.00647	1.3
79.05470	5.1
80.04973	2.0
81.03384	1.9
81.07037	12.4
82.01414	3.3
82.06562	2.8
84.04491	18.3
84.08131	9.1
84.96000	1.3
85.02900	8.1
86.06058	32.2
86.09693	11.3
87.03943	2.3
87.04459	43.6
88.07585	1.2
89.00869	2.0
91.02430	3.5
95.01901	3.5
95.06058	1.5
95.08563	2.1
96.08112	4.3
97.02852	3.8
97.06516	30.7
97.07545	1.4
98.06075	2.8
98.09673	5.3
98.96955	2.3
98.97572	34.7
99.04411	1.0
99.08085	12.0
100.02467	18.0
101.00847	13.5
101.02428	2.3
102.00943	2.8
102.02232	2.4
102.05509	6.5
104.07097	5.4
105.00301	1.2
105.02170	1.4
108.08080	1.1
109.03482	2.5
110.06018	2.8
110.07188	1.6
110.09663	2.3
110.97596	1.2
111.04453	1.7
112.07561	4.6
113.00864	2.9
114.09163	20.6
115.02368	1.1
116.10689	1.6
116.97288	1.8
116.98615	45.2
118.02705	1.8
118.03509	28.6
118.96703	3.0
119.01904	100.0
120.01987	16.8
120.03250	3.7
121.01673	5.3
121.03465	1.5
123.03194	1.6
126.09138	5.2
126.98798	1.4
128.02336	1.9
128.07072	2.8
128.98555	4.4
129.10210	4.6
130.03474	3.4
131.01886	50.8
132.02005	1.5
132.05080	1.9
133.01646	2.4
133.03452	10.4
134.02924	4.1
134.03712	3.1
134.99641	41.0
135.03130	5.1
136.02527	1.3
136.04535	21.4
136.06158	3.7
136.07573	1.4
136.11194	1.7
137.02948	58.9
137.04620	2.3
137.05913	13.5
138.03065	5.3
138.04034	1.1
138.09084	4.9
140.00221	2.1
140.03380	1.5
140.07062	1.7
141.05067	1.6
142.03496	5.2
142.08614	3.9
142.09721	1.3
144.99814	18.5
145.03444	2.5
146.99626	5.7
148.04408	1.7
149.02942	42.8
150.02959	1.4
150.06146	1.9
151.04466	6.7
152.04637	1.2
153.00677	11.3
153.96655	1.6
154.03470	33.0
154.08577	6.1
154.12239	3.7
154.96425	1.6
156.05017	5.2
156.06227	1.4
156.10193	9.0
157.97575	3.2
158.01248	6.2
158.03000	4.6
158.04495	1.7
158.99625	3.5
159.01363	4.3
160.04514	6.5
161.01353	1.9
161.02905	6.1
161.04675	1.2
163.00839	4.8
167.04396	2.1
168.01428	16.7
172.04536	43.7
172.09698	2.8
173.02899	8.7
173.04276	2.1
174.06123	5.3
174.98421	1.5
175.11839	1.3
175.98636	6.5
176.00920	2.3
176.02299	3.3
176.04012	9.5
176.98296	4.4
177.00728	9.4
177.02411	36.1
177.03833	1.4
177.98013	1.7
178.05577	1.9
180.13658	1.2
182.01593	1.3
182.02965	7.8
182.04459	2.3
182.08031	2.1
182.11734	4.0
186.02504	2.7
189.00671	2.9
189.02304	1.4
190.05591	23.2
191.03993	10.2
195.01776	2.9
195.03435	17.4
195.06183	1.7
200.02443	1.8
200.04015	51.3
200.05437	2.0
200.07295	2.5
200.09071	2.2
200.12787	40.6
200.14597	2.7
200.19106	3.7
201.00713	1.3
201.02412	25.9
201.04166	3.1
217.99678	3.1
218.03539	1.7
218.05080	37.0
218.08478	2.1
219.01839	2.4
219.03479	41.9
219.05106	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1479
Annotation	CADALENE
Peak:m/z	Relative Intensity
52.56154	0.8
53.03935	1.9
55.01846	1.2
55.05507	8.0
57.07059	2.4
57.93536	2.3
67.05489	1.7
69.07066	8.6
70.11638	4.1
74.09713	7.8
79.05487	11.6
81.07053	5.3
83.08588	1.9
83.34068	0.8
84.08949	1.6
91.05473	22.0
93.07030	25.3
95.04960	4.9
95.08567	0.9
97.06575	0.9
98.97501	0.7
100.07606	1.6
103.05460	1.2
105.07020	31.6
107.08587	14.5
109.06534	0.9
111.04436	1.8
115.05421	2.7
116.97224	8.4
117.07029	2.1
119.08566	31.2
121.10111	2.5
128.06200	13.0
129.06999	16.4
131.08530	3.9
131.99559	2.5
133.10098	3.2
139.03931	0.9
141.06985	4.9
142.07768	29.3
143.08549	46.6
144.09279	3.3
145.10081	4.5
152.96915	3.4
155.05952	0.9
155.08542	7.3
156.09334	15.3
157.10117	75.6
158.10744	3.4
169.10117	14.3
170.10910	11.6
171.11676	26.5
175.98538	7.3
184.12469	12.0
197.13286	1.6
199.03926	1.8
199.07532	3.4
199.11206	3.4
199.14809	100.0
199.18839	38.8
200.15102	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1534
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03937	2.8
53.20432	2.0
55.01855	5.5
55.05261	3.0
55.05505	31.7
55.77432	2.0
56.96566	3.6
57.03424	5.9
57.07071	10.7
57.31041	2.1
57.32951	1.8
64.75789	1.7
67.05499	48.5
69.03427	3.7
69.07060	31.4
70.87365	5.3
70.95856	9.2
71.04986	15.4
71.08624	6.4
72.93784	8.9
79.05482	26.4
81.03427	2.0
81.07047	92.9
83.04974	5.9
83.08607	25.7
85.06537	18.0
88.96922	2.1
90.94820	2.4
91.05463	31.0
93.07032	33.7
95.04952	5.5
95.08595	100.0
96.54932	2.0
97.06519	34.4
97.10146	9.7
99.08081	7.2
105.07025	31.7
107.08586	22.7
109.06512	6.5
109.10137	11.1
111.08060	8.0
111.98470	8.8
117.07004	3.9
119.08563	39.2
121.10143	13.4
123.04412	3.3
123.08073	9.3
127.07558	2.9
129.99504	5.7
132.95845	13.2
133.10115	36.3
135.11659	26.3
137.09599	5.9
137.13231	23.6
141.07011	2.4
150.96861	33.1
151.03891	6.6
155.08603	2.8
155.97420	7.7
158.76289	1.9
161.09633	5.1
161.13242	64.8
169.10097	3.8
173.98448	15.8
179.10724	17.1
179.14278	29.5
182.10927	4.2
197.05963	4.8
197.08023	2.8
197.09845	4.1
197.11722	6.1
197.13260	5.9
197.15398	8.4
198.11255	2.6
198.18510	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1535
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03940	1.7
55.01875	5.2
55.05506	29.5
57.03432	5.0
57.07069	3.1
59.04989	1.8
65.03940	2.1
67.05498	38.2
69.03429	1.9
69.07064	25.2
70.95847	5.5
71.01347	11.3
71.04987	17.0
71.51434	1.9
72.93780	3.0
73.06547	1.1
73.18308	0.8
79.05485	23.7
81.07049	82.8
83.04987	6.1
83.08610	21.0
85.02876	0.7
85.06535	19.1
85.10172	1.0
87.04449	1.2
87.10391	0.7
88.96862	0.9
90.24225	0.8
90.94814	1.1
91.05473	27.0
93.07037	27.8
95.04978	3.2
95.08599	100.0
96.08929	1.3
97.06525	40.0
97.10165	7.8
99.04446	1.1
99.08077	4.8
100.07592	0.9
101.05974	1.0
105.07020	25.7
107.08584	17.5
107.09319	1.1
109.06524	5.5
109.10151	12.5
111.08067	8.9
111.98478	5.6
113.08252	1.7
113.09645	1.3
115.07557	1.0
115.53661	0.9
117.07021	1.4
119.08574	38.0
120.86861	0.8
121.10132	10.3
123.04442	1.5
123.08059	8.0
123.11693	1.0
125.09616	1.8
127.07531	1.3
129.99524	3.2
131.05203	0.8
131.08560	1.1
131.97368	0.9
132.95837	6.5
133.10118	27.8
135.11685	21.4
137.09616	4.3
137.13226	12.3
141.07013	1.0
141.09074	1.0
149.13272	1.5
150.96892	15.1
151.03889	3.3
151.07599	1.4
151.11150	1.4
151.14763	0.9
155.08527	0.8
155.10640	8.2
155.97418	5.4
161.09613	3.5
161.13245	50.6
162.13583	1.1
167.08606	0.9
167.14330	0.7
168.97983	0.8
169.10176	1.4
173.98483	10.3
179.10687	7.6
179.14278	23.2
197.00175	0.9
197.05975	2.8
197.07997	1.7
197.09912	1.5
197.11659	6.0
197.13387	1.5
197.15338	13.0
197.17018	1.6
198.11267	1.2
198.18526	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.71154	0.8
53.03935	1.3
55.01872	2.0
55.05507	4.4
57.03434	0.9
57.07074	1.4
59.05001	3.0
65.03932	1.1
67.05499	7.0
69.03436	2.3
69.07061	2.4
70.78660	2.2
70.95860	1.4
71.01353	1.1
71.04997	1.2
71.08641	0.6
73.02925	0.7
78.24570	0.6
79.05482	6.8
81.03419	0.9
81.07053	7.5
83.04974	1.1
83.08607	1.1
84.33780	0.6
84.84737	0.5
85.06549	1.2
91.05468	20.0
93.07032	22.2
95.04961	9.0
95.08589	4.6
97.06532	0.8
105.03419	0.7
105.07024	28.9
106.07327	0.8
107.04920	0.6
107.08582	66.7
108.08916	0.9
109.06507	5.7
109.10143	7.3
111.04421	0.9
111.08105	1.1
111.98485	0.9
112.07570	1.5
113.06027	1.1
113.08267	1.1
116.69832	0.7
117.07031	1.4
118.07821	1.3
119.04962	1.8
119.06068	0.7
119.08571	9.0
120.09348	0.8
121.06487	6.2
121.10143	0.9
123.04444	4.2
123.08028	0.7
123.11646	4.0
124.74408	0.7
128.06236	0.7
129.99467	0.7
131.08571	2.3
132.95770	1.4
133.06493	1.1
133.10112	68.6
134.10449	1.8
135.08040	1.7
135.11678	51.8
136.12000	1.3
137.05991	2.8
137.06891	0.6
137.08310	0.8
137.09618	4.5
139.07486	0.6
141.05525	0.7
141.06778	0.6
143.08534	1.8
146.07230	2.1
147.04443	0.7
147.09146	0.6
150.96887	4.5
151.03912	1.2
151.07492	0.7
151.11162	5.9
155.97388	1.6
161.09604	37.5
162.09868	1.0
173.98485	2.8
179.10654	100.0
180.11165	2.9
197.05959	1.4
197.11707	68.4
198.12173	1.5
198.18503	18.5
204.49664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01860	1.5
55.05500	8.2
57.03419	1.4
57.07060	3.5
58.34292	0.9
58.63742	0.9
59.04973	4.1
60.25264	0.8
65.03926	1.5
67.05493	8.5
69.03416	2.7
69.07047	3.9
70.76249	3.2
70.95860	7.2
71.01333	2.1
71.04976	2.3
71.08600	1.4
72.93787	4.9
77.03913	1.1
79.05486	8.5
81.03403	2.3
81.07048	9.6
83.04959	2.1
83.08595	2.9
88.96886	1.3
90.94828	2.0
91.05470	26.0
93.07034	26.5
95.04945	9.4
95.08607	5.7
97.06498	1.9
97.10204	1.2
99.04424	1.1
100.07585	1.0
103.05466	1.3
105.03360	0.9
105.06324	1.9
105.07019	35.5
107.04926	1.5
107.08581	75.6
108.08884	1.5
109.06509	7.9
109.10143	7.8
111.08073	2.0
111.98476	6.7
113.06000	1.1
113.08241	4.8
113.96389	1.0
115.05410	1.9
117.07005	1.5
119.04939	1.8
119.05996	1.1
119.08562	11.2
121.06480	6.6
121.10159	2.4
123.04399	3.5
123.08065	1.4
123.11707	4.0
124.90376	1.0
125.06007	2.0
127.03797	1.5
129.99481	5.5
131.08571	3.9
132.95837	10.4
133.10114	80.3
134.10445	2.7
135.08020	1.8
135.11678	56.6
137.05948	5.0
137.08148	2.0
137.09586	6.8
139.03897	1.2
141.05444	1.5
141.06964	3.8
143.08530	2.8
146.07243	1.7
150.96884	28.9
151.03864	2.3
151.07544	1.9
151.11165	8.7
155.09343	1.8
155.10519	1.0
155.97400	7.9
156.04297	1.1
161.09610	39.2
168.97920	1.6
169.06453	2.6
169.10144	1.5
173.98483	16.3
179.10652	100.0
180.10962	3.3
197.05753	4.9
197.09816	3.5
197.11705	62.3
198.11996	1.1
198.18520	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03923	0.7
55.01860	1.2
55.05494	2.7
57.02976	0.5
57.07049	0.6
59.04962	1.3
61.15680	0.5
65.03926	1.9
67.05495	2.6
69.03421	1.1
69.07059	1.4
69.96709	1.9
69.97127	1.3
70.95860	3.2
71.04975	0.7
72.93781	2.0
73.02891	0.7
78.31998	0.5
79.05483	5.0
81.03425	0.7
81.07050	5.3
83.04993	0.8
83.08611	1.3
88.96909	1.0
91.05465	14.6
93.07029	12.3
95.04964	2.7
95.08590	3.0
97.02861	0.6
97.06506	0.9
99.04465	0.7
105.07018	24.3
106.07354	0.6
107.08579	100.0
108.08913	2.0
109.06496	4.7
109.10144	5.2
111.08015	0.6
111.98469	2.7
113.08221	2.1
115.05401	1.1
118.07774	0.5
119.04903	1.5
119.06076	0.7
119.08575	9.4
121.06519	2.7
121.10126	7.4
123.04327	0.5
123.08061	0.8
123.11694	1.6
125.05974	1.1
125.09613	1.0
129.99498	1.4
131.08545	2.3
132.95801	4.1
133.06458	1.2
133.10115	56.8
134.10431	1.5
135.07977	0.7
135.11679	9.2
137.05972	3.0
137.09589	2.4
139.07512	1.6
141.05391	0.7
141.06966	1.3
143.08578	1.7
146.07227	1.4
149.09602	4.4
150.96863	8.1
151.03885	1.6
151.07530	2.1
151.11165	8.5
155.07051	0.5
155.09230	0.9
155.10573	0.6
155.97400	2.8
161.09592	15.2
167.10646	10.2
169.06477	2.1
173.98482	5.8
179.10651	25.5
180.10992	1.0
182.05766	0.6
197.05908	2.4
197.11708	41.9
198.12125	0.7
198.18513	12.4
208.84918	0.5
214.02266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07422	0.6
55.01854	0.7
55.05484	0.9
56.05029	4.7
56.96568	4.4
57.03421	1.9
57.07071	1.2
58.99845	1.0
67.05478	1.7
68.05022	0.8
69.03429	3.1
69.07050	1.2
70.06584	1.8
71.04987	0.7
71.06107	1.3
71.72694	0.8
72.08126	0.7
73.02953	0.6
77.00907	1.1
81.07034	1.6
82.99847	0.8
91.05485	1.0
93.07021	0.9
95.01929	0.9
95.04921	1.3
95.06059	1.9
95.08585	1.4
96.05608	1.6
97.02861	2.6
97.06492	0.8
97.07593	0.7
98.97575	1.8
99.04435	0.6
100.02472	5.2
101.00872	4.8
102.02223	1.4
103.02423	1.2
105.06987	1.2
107.08578	2.6
109.06566	1.1
109.07521	0.7
109.10135	0.9
113.08255	10.2
114.04025	1.6
116.98588	3.1
118.03510	6.3
118.92089	0.8
119.01914	40.8
119.08544	0.9
120.01995	1.7
120.03224	1.1
121.01657	5.5
121.03445	0.8
128.01833	0.6
128.99136	0.8
129.03983	0.9
130.03436	1.1
131.01907	3.8
132.02002	0.8
132.05063	29.2
133.03470	3.3
133.05168	0.8
133.10118	2.1
134.99693	4.5
135.11684	1.9
135.99936	1.7
136.04536	1.9
136.93105	4.1
137.02953	22.7
137.08205	4.4
137.09219	0.6
137.99638	1.1
138.03023	1.1
139.02670	4.2
142.03505	3.1
143.08421	0.7
144.05035	0.7
145.00444	2.1
145.03421	5.2
146.03656	1.0
147.01347	0.9
147.03810	6.8
147.04970	1.3
149.02936	1.9
150.06111	31.4
150.96906	2.2
151.03766	0.8
151.06239	1.1
153.00652	1.3
153.05104	0.7
154.03487	1.8
154.90773	0.7
154.94156	10.2
155.00774	1.1
155.01881	1.6
155.02986	0.9
155.06667	1.1
155.09277	7.3
155.97469	1.0
156.00375	0.7
156.01935	0.8
156.05013	6.3
156.97469	6.9
157.03476	0.8
157.97501	0.8
158.97255	1.1
159.03268	1.6
160.04526	2.1
161.09561	1.1
163.04495	1.9
164.51210	0.8
165.04854	3.5
168.05017	1.0
170.02985	0.7
170.98984	1.1
171.05008	1.3
172.04599	0.8
172.95236	36.4
172.98737	7.3
173.01610	1.0
173.02927	6.7
173.04170	2.7
173.07777	0.9
173.98473	1.5
174.03064	4.4
174.06111	100.0
174.98555	14.8
175.02713	1.2
175.04494	1.5
175.06262	2.8
175.98625	0.9
176.98288	2.1
177.00896	1.4
177.04289	1.7
178.05637	0.7
179.01810	0.9
179.09218	3.7
179.10707	2.6
179.99113	11.4
182.02284	2.7
183.02296	0.7
186.96933	0.8
187.02827	1.5
187.04509	2.3
189.00148	1.6
190.96286	31.8
190.99829	16.9
191.02429	0.7
191.03709	2.9
192.04034	1.8
192.07153	35.6
193.00185	0.9
193.05621	0.8
193.07213	1.2
195.96785	3.2
196.04510	0.9
196.91867	0.9
196.95453	2.3
197.00716	1.9
197.02969	2.5
197.04790	2.9
197.06146	0.9
197.07765	9.1
197.10242	1.5
197.11732	2.2
198.00256	18.0
198.07838	1.3
198.18512	6.7
213.97847	2.0
214.96533	60.2
214.99855	1.7
215.01639	3.3
215.05499	1.0
215.08900	1.8
215.96646	6.0
216.01208	5.9
216.07372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03936	6.7
54.02214	4.9
55.01862	11.4
55.05486	21.2
56.96576	3.9
57.03434	37.1
57.07066	6.6
60.04525	4.2
65.03919	9.6
67.05496	50.7
68.99760	5.1
69.03392	8.5
69.07059	47.1
70.06569	10.3
71.04984	5.1
79.05486	50.5
80.05003	7.3
81.03414	15.4
81.06688	4.1
81.07052	50.4
83.04951	8.9
83.08605	12.5
84.08120	19.3
85.02853	6.3
85.06544	22.9
89.03916	7.0
89.06017	13.0
91.05466	36.1
93.07041	82.6
94.07314	4.9
95.04958	28.3
95.08595	59.5
97.06511	13.0
99.08031	5.1
103.05450	9.8
105.07030	29.0
107.04925	24.6
107.08575	48.0
109.02848	5.3
109.06485	17.5
109.10146	11.4
111.04417	13.0
111.08058	11.8
115.02136	5.9
117.03349	20.3
117.06988	11.0
119.08559	16.2
121.02901	4.6
121.06508	29.0
121.10131	25.9
123.08056	100.0
125.02280	4.5
125.05970	9.0
125.07968	8.9
125.09605	7.0
130.07709	4.8
131.08534	17.7
133.06488	6.7
133.10091	18.5
135.04390	14.5
135.08022	12.5
135.11678	78.4
136.07544	5.6
137.09563	7.9
138.06622	6.5
139.03888	7.8
145.02847	30.6
148.97380	11.2
149.06035	23.2
149.09653	8.9
149.13196	16.6
149.97112	9.7
150.09102	9.0
152.06119	11.2
153.05498	7.7
153.09045	12.2
159.11633	13.6
163.03902	29.8
165.06967	28.1
167.03355	6.0
167.07057	9.9
167.08540	12.6
167.12639	9.5
171.98933	5.5
177.05449	54.2
177.09102	10.8
177.11253	8.1
177.12735	55.8
177.16376	6.3
180.09358	25.5
195.02902	27.9
195.04877	8.0
195.06491	33.0
195.08125	24.5
195.10060	9.1
195.11650	30.3
195.13777	38.8
195.15599	13.1
196.05869	7.8
196.09653	9.2
196.16954	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03946	4.4
55.01855	3.3
55.05501	14.0
56.96550	1.1
57.03412	3.5
57.07047	2.4
65.03937	4.2
67.05497	75.7
68.99773	2.0
69.03412	3.4
69.07056	16.6
70.06574	0.9
70.43333	3.4
71.01318	1.0
71.04982	6.7
73.02921	1.2
79.05009	1.7
79.05485	48.1
81.03394	5.1
81.07047	100.0
82.07381	1.7
82.64937	0.8
83.04966	9.2
83.08612	9.0
85.02882	1.6
85.06519	5.4
87.04453	1.3
89.03887	2.4
89.06001	2.0
91.05468	28.5
91.06031	1.9
92.05771	0.9
93.07034	68.4
95.04960	11.0
95.08595	43.3
97.05940	1.5
97.06521	18.0
97.10153	3.2
98.06072	0.9
99.08081	1.9
103.05444	2.4
105.04532	1.0
105.07021	13.3
107.04952	7.8
107.08581	31.8
109.02878	1.4
109.06514	5.8
109.10139	3.8
111.04424	1.9
111.05503	0.9
111.08064	6.8
113.05971	1.7
114.05492	3.1
115.05375	1.4
117.03368	2.9
117.07014	11.7
119.08548	3.0
121.02814	1.1
121.06518	6.8
121.10142	13.0
123.08042	2.3
123.11636	0.9
125.05948	1.9
125.09629	1.5
127.93339	0.9
129.07011	0.9
130.96263	1.2
131.08560	15.4
133.06520	1.1
133.10118	18.3
135.04419	4.0
135.08054	8.4
135.11674	46.1
136.12016	1.5
137.05992	2.3
137.09647	1.9
138.06548	1.2
139.03938	1.4
139.07526	2.0
139.11177	1.1
139.12282	1.0
145.02792	5.2
147.11714	0.9
148.97353	3.3
149.02382	1.3
149.05980	5.6
149.09589	4.3
149.13240	27.0
149.97174	1.6
150.13544	1.2
151.11182	5.1
152.04645	1.0
152.06181	3.1
153.05444	2.5
153.09065	3.9
153.97850	1.3
159.11673	26.0
163.03891	6.3
165.05542	1.2
165.07011	4.1
166.07625	1.0
167.07066	1.7
167.08536	4.8
171.98892	1.2
172.98680	1.0
177.01869	1.0
177.05469	9.0
177.06825	1.4
177.09085	3.3
177.12718	20.0
177.16316	1.5
180.04138	3.2
180.09303	3.1
183.06549	1.0
195.02882	7.1
195.04895	1.5
195.06493	5.1
195.08064	9.4
195.10110	5.4
195.11751	3.6
195.13792	23.6
195.15561	2.5
196.09729	1.2
196.16928	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73340	1.1
51.02728	1.1
53.03936	3.2
55.01863	16.1
55.05504	13.4
55.29117	1.1
56.96554	2.5
57.03421	3.3
57.07059	4.8
65.03929	1.7
67.05495	17.4
68.99781	32.1
69.03432	6.6
69.07062	19.1
70.06573	3.6
71.01352	1.6
71.04987	10.9
71.74339	2.1
79.05485	32.7
81.03403	4.2
81.07047	47.2
83.04974	8.6
83.08611	6.1
84.08145	3.4
85.02901	1.8
85.06533	15.0
85.10176	10.2
87.04472	3.2
89.03911	4.9
89.06001	3.0
91.05470	17.1
93.07033	57.8
94.07369	1.3
95.04952	8.7
95.08591	16.6
97.02872	1.3
97.06517	100.0
97.10155	4.2
98.06853	2.0
99.08099	3.0
103.05464	3.4
105.07014	14.1
106.04120	1.5
107.04955	9.9
107.08582	44.8
109.02885	1.4
109.06487	5.7
109.10117	8.0
111.04414	4.0
111.08076	7.3
117.03385	5.8
117.06988	3.7
119.08580	13.4
121.06489	6.9
121.10128	74.6
123.08052	7.4
123.11685	2.8
125.05991	2.9
125.09617	28.4
131.08562	7.5
133.10097	5.4
134.03586	2.0
135.04410	7.2
135.08029	10.5
135.11652	12.5
137.05997	3.4
137.09598	6.0
137.13135	1.7
139.03851	1.6
139.07570	2.5
144.09325	1.6
145.02834	13.3
147.11678	2.5
148.97336	2.9
149.05966	8.3
149.09584	8.4
149.13254	22.3
149.97185	2.9
150.09122	1.4
151.07552	1.7
151.11192	1.9
152.06157	2.0
153.05492	3.4
153.09085	56.1
153.12616	1.8
153.97905	1.7
154.06204	2.1
159.11684	14.4
163.03871	7.7
163.07500	1.7
165.05571	2.7
165.07022	5.7
165.12762	2.4
167.07060	3.5
167.08632	4.7
168.13850	1.7
171.98898	2.2
174.72287	1.3
177.05449	16.3
177.09138	3.9
177.12732	28.2
177.16386	2.8
180.04141	1.9
180.09311	3.0
195.02921	9.7
195.04720	2.2
195.06543	11.6
195.08122	7.4
195.10045	14.2
195.11752	6.1
195.13806	22.6
195.15651	3.5
195.17389	2.6
196.09697	2.3
196.17027	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.53791	1.1
53.03936	3.7
55.01855	4.1
55.05500	17.6
57.03423	5.7
57.07056	1.9
64.63734	1.3
64.96211	1.2
65.03918	3.5
65.92700	1.2
67.05495	66.9
68.99790	2.1
69.07054	17.6
70.10017	6.1
70.65408	1.0
71.01349	1.2
71.04980	4.4
79.05484	44.1
81.03422	12.1
81.07043	100.0
82.07377	1.8
83.04971	13.1
83.08606	10.9
85.06530	4.7
89.06051	1.8
91.05466	40.1
93.07034	63.5
95.04949	8.1
95.08591	35.4
97.06515	14.2
97.10143	1.7
99.08096	2.6
103.05506	1.2
105.07022	13.4
107.04957	3.3
107.08580	31.2
108.42289	1.3
109.06484	4.7
109.10144	3.9
111.08057	5.3
117.07002	16.6
119.08553	3.7
121.06492	6.7
121.10141	9.9
123.11648	1.8
125.09660	1.7
131.08534	14.7
133.10106	27.4
135.08051	4.3
135.11674	34.0
139.07503	2.5
144.09297	1.7
145.02936	1.4
149.09584	3.7
149.13243	20.3
151.11139	3.6
153.09099	4.4
159.11687	18.0
163.03920	1.4
165.06917	2.7
167.08572	1.4
171.54955	1.2
177.05417	2.5
177.12747	13.8
180.04213	2.1
180.09311	1.5
195.02856	2.0
195.06470	2.9
195.10150	1.7
195.12001	2.6
195.13776	19.7
195.15569	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03951	3.4
55.01868	4.1
55.05504	19.3
56.96558	7.9
57.03427	4.4
57.07056	3.0
59.04973	1.0
65.03926	3.0
67.05495	63.3
68.96329	1.1
69.03416	2.8
69.06682	1.1
69.07059	20.9
69.99829	2.4
70.00244	1.4
70.06586	1.5
71.01344	2.7
71.04979	7.2
71.08634	0.8
73.02888	1.3
79.05483	42.0
80.81715	0.8
81.03407	13.5
81.07045	100.0
82.07394	0.8
83.04967	14.2
83.08605	11.6
84.08147	1.3
85.02889	1.1
85.06537	4.3
87.04462	1.0
88.57240	0.7
89.03914	1.3
89.06032	1.6
91.05466	39.7
93.07029	62.5
94.07372	1.9
95.04951	8.0
95.08594	36.7
97.06522	11.8
97.07093	1.3
97.10165	2.4
98.27074	0.9
99.08089	2.2
103.05456	2.2
105.07014	17.1
107.04942	5.3
107.08576	30.1
109.06499	5.3
109.10149	3.9
111.04422	1.5
111.08076	5.4
113.05991	1.1
113.09649	0.9
115.05504	0.8
116.28533	0.7
117.03358	3.2
117.06999	13.1
119.08540	4.5
121.06496	7.8
121.10130	12.2
121.68333	0.8
123.08041	2.2
123.11683	4.2
125.05965	1.2
125.09602	1.1
129.07008	0.9
130.04633	0.8
130.96266	1.1
131.08545	14.3
133.02945	0.9
133.06535	1.0
133.10112	29.6
135.04413	3.1
135.08041	5.3
135.11671	33.0
136.12032	1.4
137.09592	1.1
137.13281	1.3
139.07547	1.5
144.06180	0.9
144.09360	1.1
145.02823	4.3
147.11501	1.1
148.97346	1.1
149.05963	2.7
149.09616	2.6
149.13237	18.6
149.14420	1.1
149.97186	0.9
150.13641	0.9
151.11192	4.2
152.06169	1.9
153.05467	1.3
153.09109	3.3
153.97881	1.1
157.10172	1.0
159.11670	18.4
163.03888	6.4
163.07501	0.8
165.06982	3.4
167.07060	1.2
167.08603	0.9
171.99020	0.8
177.05421	4.6
177.09172	1.5
177.12727	12.5
177.16312	0.9
178.08647	0.7
180.09378	2.6
181.09627	0.8
195.02881	6.4
195.04662	0.9
195.06522	4.4
195.08156	3.6
195.10159	1.9
195.11731	4.4
195.13821	17.7
195.15573	1.2
195.17288	0.9
196.09677	1.7
196.16843	2.0
199.04765	0.8
211.66161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	1alpha-Hydroxyisoondetianone
Peak:m/z	Relative Intensity
50.73340	1.1
51.02728	1.1
53.03936	3.2
55.01863	16.1
55.05504	13.4
55.29117	1.1
56.96554	2.5
57.03421	3.3
57.07059	4.8
65.03929	1.7
67.05495	17.4
68.99781	32.1
69.03432	6.6
69.07062	19.1
70.06573	3.6
71.01352	1.6
71.04987	10.9
71.74339	2.1
79.05485	32.7
81.03403	4.2
81.07047	47.2
83.04974	8.6
83.08611	6.1
84.08145	3.4
85.02901	1.8
85.06533	15.0
85.10176	10.2
87.04472	3.2
89.03911	4.9
89.06001	3.0
91.05470	17.1
93.07033	57.8
94.07369	1.3
95.04952	8.7
95.08591	16.6
97.02872	1.3
97.06517	100.0
97.10155	4.2
98.06853	2.0
99.08099	3.0
103.05464	3.4
105.07014	14.1
106.04120	1.5
107.04955	9.9
107.08582	44.8
109.02885	1.4
109.06487	5.7
109.10117	8.0
111.04414	4.0
111.08076	7.3
117.03385	5.8
117.06988	3.7
119.08580	13.4
121.06489	6.9
121.10128	74.6
123.08052	7.4
123.11685	2.8
125.05991	2.9
125.09617	28.4
131.08562	7.5
133.10097	5.4
134.03586	2.0
135.04410	7.2
135.08029	10.5
135.11652	12.5
137.05997	3.4
137.09598	6.0
137.13135	1.7
139.03851	1.6
139.07570	2.5
144.09325	1.6
145.02834	13.3
147.11678	2.5
148.97336	2.9
149.05966	8.3
149.09584	8.4
149.13254	22.3
149.97185	2.9
150.09122	1.4
151.07552	1.7
151.11192	1.9
152.06157	2.0
153.05492	3.4
153.09085	56.1
153.12616	1.8
153.97905	1.7
154.06204	2.1
159.11684	14.4
163.03871	7.7
163.07500	1.7
165.05571	2.7
165.07022	5.7
165.12762	2.4
167.07060	3.5
167.08632	4.7
168.13850	1.7
171.98898	2.2
174.72287	1.3
177.05449	16.3
177.09138	3.9
177.12732	28.2
177.16386	2.8
180.04141	1.9
180.09311	3.0
195.02921	9.7
195.04720	2.2
195.06543	11.6
195.08122	7.4
195.10045	14.2
195.11752	6.1
195.13806	22.6
195.15651	3.5
195.17389	2.6
196.09697	2.3
196.17027	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.00298	1.8
53.03926	5.5
55.01851	4.4
55.05504	15.6
56.96548	2.7
57.03424	5.0
57.07058	3.1
60.23898	1.6
65.03936	4.1
67.05497	67.4
69.03417	5.0
69.07059	19.0
70.06577	4.0
70.19923	7.9
71.01336	2.0
71.04987	9.4
74.48448	1.6
78.19402	1.6
79.05487	46.0
81.03422	10.8
81.03823	1.6
81.07047	100.0
83.04975	12.7
83.08601	9.1
84.08121	3.0
85.02904	2.1
85.06519	4.1
87.04422	3.0
89.03900	3.8
89.06021	6.0
91.05466	30.0
93.03397	2.3
93.07037	69.2
95.04961	15.3
95.08596	50.1
97.06524	16.3
98.06040	2.2
98.21413	2.0
99.04440	3.5
99.08083	2.3
101.05997	1.9
103.05511	3.2
105.07018	15.6
107.04939	9.8
107.08582	30.6
109.06522	11.2
109.10133	6.0
111.04427	3.8
111.08071	6.3
117.03349	5.8
117.06988	12.1
119.08565	4.6
121.06479	9.3
121.10130	13.2
123.04375	1.7
123.08045	4.6
125.05977	2.3
125.09573	1.8
130.96245	1.9
131.08563	16.6
133.10126	16.1
135.04413	5.3
135.08043	11.4
135.11671	38.8
135.12637	3.2
137.05986	2.1
139.03865	4.5
145.02838	7.9
148.97334	5.1
149.05956	8.4
149.09595	5.7
149.13242	25.1
149.97185	6.1
150.09128	3.5
151.11188	4.7
152.06128	2.0
153.05423	2.2
153.09096	3.5
153.97911	2.2
154.06238	3.8
159.11678	25.0
163.03876	7.3
163.07664	2.1
165.07042	8.3
167.07063	3.9
167.08545	4.5
171.98895	3.2
172.98839	1.9
177.05438	15.0
177.12724	23.0
179.08530	3.0
180.04204	2.5
180.09323	10.7
195.02870	15.4
195.04416	2.2
195.06647	10.7
195.08194	6.7
195.10126	5.8
195.11658	13.6
195.13783	21.8
195.15631	4.0
196.09657	5.0
196.16991	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03935	8.0
55.01851	5.9
55.05504	19.9
56.96558	11.9
57.03433	21.5
57.07060	3.9
63.59442	2.4
65.03932	5.0
67.05499	80.6
68.96316	4.2
69.03420	3.7
69.07067	19.1
71.01336	4.3
71.04980	5.5
71.73806	3.3
71.74242	3.3
73.02897	2.8
79.05486	55.8
81.03426	12.8
81.07047	100.0
82.25117	2.4
83.04959	14.1
83.08630	13.4
84.08128	2.6
85.06519	11.4
89.03929	5.3
89.06003	8.2
91.05466	31.4
93.07037	70.5
94.07318	3.1
95.04961	17.0
95.08594	52.7
97.06525	18.7
99.08035	3.4
103.05489	4.5
105.07015	15.7
107.04932	11.4
107.08590	33.0
109.06502	9.9
109.10145	7.8
109.98958	2.3
111.04427	5.2
111.08071	9.5
115.05433	2.9
117.03380	6.4
117.07018	12.3
119.08560	6.2
121.06525	13.1
121.10129	17.2
123.08054	52.2
124.08395	2.8
125.06010	3.3
125.09605	4.5
130.96306	2.9
131.08554	15.8
133.10135	15.8
135.04416	9.7
135.08017	11.7
135.11684	39.7
137.06007	5.1
139.03894	5.2
143.05441	3.6
145.02792	15.9
148.97328	4.0
149.05949	10.6
149.09627	7.0
149.13260	30.0
149.97176	6.5
151.11180	3.2
153.05406	2.6
153.06944	2.4
153.09068	5.9
154.06190	7.0
154.97797	3.3
159.11662	22.5
163.03909	8.8
165.06976	15.5
167.07213	3.0
167.08586	9.8
171.98924	4.4
172.86720	2.7
174.08067	2.8
177.05479	19.3
177.09087	4.4
177.12735	22.3
177.16452	3.8
180.09286	14.2
195.02936	20.6
195.04683	4.6
195.06499	17.9
195.08131	10.9
195.10139	5.1
195.11671	32.2
195.13791	26.6
195.15732	7.6
196.09647	4.4
196.16934	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1014
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
50.04287	0.7
52.72998	0.7
53.03936	4.4
55.01867	3.4
55.05524	2.7
57.03440	2.2
57.07085	2.1
65.03930	9.0
65.04237	0.8
67.05493	5.4
68.99781	47.0
69.03443	3.1
69.07047	4.1
70.27488	1.9
70.27884	1.6
71.01365	1.6
71.05003	1.8
77.03937	1.5
78.04679	1.3
79.05482	54.0
80.05841	0.9
81.03425	3.1
81.07037	7.6
83.04968	6.0
83.08637	2.4
84.94064	0.7
85.02910	1.3
85.06547	0.9
85.10173	12.9
85.10664	0.7
89.03896	4.3
89.06042	1.5
91.05470	13.4
91.06017	1.0
92.06277	1.0
93.03397	13.3
93.07029	12.8
93.07561	0.9
95.04952	12.1
95.08629	2.8
97.06510	5.3
103.05452	33.1
105.03400	1.6
105.04524	2.0
105.07014	32.3
106.04150	6.1
106.07363	0.8
107.04938	45.9
107.08575	15.9
108.05212	0.6
109.02873	1.1
109.06525	2.7
109.10167	2.8
110.03696	0.8
111.04424	11.2
111.08069	2.9
112.55289	0.7
115.05475	2.5
117.03355	6.2
117.07026	2.1
119.04964	2.2
119.08552	0.8
120.05729	6.0
121.02879	1.3
121.06475	8.7
121.07176	0.7
121.10132	2.8
123.04432	2.5
123.08043	0.8
124.05190	2.1
125.05959	6.1
125.09614	24.3
131.04903	3.4
131.08548	1.7
132.05629	0.8
133.02818	1.0
133.06517	2.2
133.10170	1.7
134.03624	2.8
135.04408	20.6
135.08035	75.7
135.11662	8.3
136.08432	1.2
137.05945	4.1
137.09579	1.1
138.03101	1.5
139.03882	74.5
139.07524	4.6
140.04388	0.8
142.96175	0.8
145.02831	3.8
145.06490	0.8
145.07568	1.2
147.04398	2.2
148.05161	1.9
148.97385	0.9
149.05952	9.9
149.09592	3.8
149.13245	2.0
151.07437	0.9
152.04663	3.3
152.06061	0.6
153.05466	19.0
153.09087	74.3
154.06227	100.0
155.06680	2.2
159.11652	1.0
163.03885	19.9
163.07529	22.2
164.08331	3.9
165.05455	2.7
165.06895	1.5
167.07037	23.5
167.08508	3.0
177.05484	4.4
177.06726	0.7
177.09053	2.1
177.12733	1.9
180.04237	0.9
180.07727	5.3
180.09239	1.7
181.04930	0.8
195.02875	3.2
195.06537	10.2
195.08215	2.8
195.10118	35.3
195.11633	1.6
195.13800	2.3
195.15521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1014
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.30786	0.6
53.03930	2.5
55.01861	3.3
55.05488	2.4
56.96560	1.1
57.03424	1.5
57.07068	1.2
57.96277	0.7
65.03930	8.8
65.59614	0.6
66.04704	0.7
67.05502	5.2
68.96328	0.8
68.99787	4.0
69.03400	2.1
69.07048	2.2
70.06588	1.2
71.01333	0.8
71.04985	1.7
71.06922	0.5
71.74100	1.2
77.03912	0.7
77.42081	0.6
78.04670	0.8
79.05480	17.5
81.03409	1.5
81.07047	6.1
82.14224	0.6
83.04966	2.6
83.08624	1.6
84.08125	1.6
85.02888	1.2
85.06522	1.1
85.10178	1.5
87.04456	1.2
89.03909	2.5
89.06017	1.6
91.05468	9.6
92.06223	0.7
93.03392	11.3
93.07031	7.9
95.04961	6.8
95.08599	5.1
97.06514	3.7
99.04422	0.7
103.05454	35.1
105.03381	1.1
105.04482	0.9
105.07017	29.2
106.04141	1.3
106.07381	0.7
107.04939	23.8
107.08593	6.8
108.19599	0.6
109.06506	3.2
109.10138	1.7
111.04434	9.9
111.08035	2.1
115.05441	2.4
117.03346	2.7
117.06982	2.5
119.04922	1.6
119.08578	1.7
120.05708	4.6
121.02866	0.9
121.06483	4.7
121.10117	5.2
123.04401	2.3
123.08080	0.7
124.05162	1.2
125.05963	3.5
125.09591	1.8
130.96240	0.7
131.04865	3.7
131.08537	1.3
133.06494	1.4
133.10109	1.3
134.03635	1.1
134.07312	0.8
135.04410	4.3
135.08034	68.1
135.11621	3.9
136.08391	2.0
137.05954	3.2
137.09604	1.8
139.03879	73.2
139.07513	2.4
140.04280	0.9
143.44148	0.6
145.02837	5.3
147.04353	1.1
148.05138	0.9
148.97386	1.6
149.05983	3.9
149.09621	2.3
149.13246	2.1
151.03905	1.0
151.07529	1.6
152.04718	1.4
152.06250	0.9
153.05441	1.5
153.09053	5.6
153.97874	0.9
154.06227	100.0
155.06619	1.3
159.11681	2.8
161.05954	0.9
163.03893	4.2
163.07524	22.3
164.08290	4.5
164.44850	0.6
165.05515	1.8
165.06999	2.4
167.07027	17.4
167.08525	2.0
167.10675	1.0
171.98880	1.3
177.05469	7.5
177.09064	2.0
177.12727	2.5
177.16377	1.0
180.04124	2.0
180.07794	4.0
180.09320	2.1
195.02892	5.3
195.04733	0.8
195.06494	7.2
195.08139	3.9
195.10150	21.8
195.11740	3.5
195.13838	3.1
195.15710	1.6
195.17407	1.0
196.09689	1.0
196.17038	0.8
196.47620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	Methyl 2-(4-methoxyphenyl)-2-oxoacetate
Peak:m/z	Relative Intensity
51.02364	1.6
53.03940	10.1
55.01848	5.5
55.05487	4.2
56.96530	1.9
57.07065	1.4
58.77129	1.2
64.93124	1.3
65.03915	4.5
67.05501	10.6
68.99775	10.7
69.03397	2.5
69.07043	5.1
70.06576	1.5
71.04971	2.7
71.74580	2.1
77.03901	2.6
78.04678	2.7
79.05480	100.0
80.05782	1.8
81.03386	4.7
81.07042	12.9
82.03677	1.3
83.04965	4.3
83.08575	2.9
83.65897	1.2
84.08131	1.6
85.06528	2.3
85.10143	1.6
89.03905	15.0
89.06002	3.4
91.05457	18.8
93.03368	7.4
93.06486	2.3
93.07030	27.5
95.04396	1.8
95.04956	22.5
95.08064	1.2
95.08588	8.8
97.04575	1.3
97.06505	5.3
99.04424	1.7
103.05447	6.8
105.03362	5.2
105.04485	4.3
105.06993	3.9
106.04161	26.5
107.04937	80.7
107.08594	13.1
109.02907	2.2
109.06499	4.5
109.10099	1.8
110.58213	1.7
111.04402	2.1
111.08036	3.9
117.03361	26.5
119.08572	1.5
121.02817	1.9
121.06487	22.5
121.10119	6.0
123.04396	2.4
124.05185	3.3
125.05975	3.8
125.09621	4.9
131.04889	2.7
131.08514	4.4
133.02858	1.3
133.10100	3.3
134.03606	8.7
135.04398	66.7
135.08060	5.2
135.11668	20.8
136.04741	1.8
137.05933	1.7
139.03874	2.5
139.07507	5.6
145.02812	17.0
148.97334	2.6
149.05952	58.6
149.09549	3.6
149.13205	4.8
150.06339	2.5
151.03873	1.8
152.04710	7.0
152.05878	1.5
153.05418	5.8
153.09038	9.8
155.07030	1.7
159.11662	5.4
163.03883	70.8
164.04298	1.4
165.07019	3.6
167.06982	11.1
167.08568	4.5
177.05452	25.8
177.06964	2.1
177.08968	2.5
177.12708	6.6
177.16441	2.1
179.04572	1.3
180.04156	4.5
180.09331	3.7
181.04889	2.0
186.05605	1.4
195.02846	10.3
195.06496	53.4
195.08105	5.7
195.10141	6.0
195.11646	6.2
195.13792	2.9
195.15675	3.8
195.17343	1.9
196.06915	1.8
196.09653	2.3
196.16968	1.5
197.54736	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	Meconine
Peak:m/z	Relative Intensity
51.02364	1.0
52.03156	0.7
53.03941	8.7
55.01863	1.9
55.05500	1.4
60.31165	0.5
64.03178	0.6
65.03922	2.7
66.04706	3.8
67.01856	2.2
67.05497	4.5
68.99778	1.5
69.03423	1.5
69.07074	1.3
69.72056	0.7
69.72459	3.4
70.06579	0.7
71.04965	0.7
77.03926	2.3
78.04700	1.3
79.05482	40.1
80.04981	0.5
80.05821	0.8
81.03407	2.2
81.07048	10.6
81.32614	0.6
83.04967	1.7
89.03890	0.8
91.05466	5.3
92.02621	3.7
93.07030	4.0
94.04181	5.7
95.04389	1.0
95.04958	14.6
95.08577	1.0
96.05747	1.2
97.06514	1.3
98.21417	0.9
105.03385	3.0
105.04492	2.5
105.06998	0.7
107.04222	1.0
107.04942	14.8
107.08592	2.5
109.02882	0.9
109.06500	26.6
110.06870	0.7
111.04391	1.3
111.08060	0.9
111.26025	0.6
117.03349	1.1
117.07086	0.5
120.02071	17.4
121.02840	0.9
121.06490	1.2
121.10141	1.9
122.03620	2.5
123.04405	2.2
124.05196	3.1
125.05965	1.9
131.08540	0.6
133.02850	1.1
133.10138	0.7
134.03642	0.8
135.04393	17.5
135.08012	1.8
135.11703	2.0
136.04845	0.7
137.02365	0.7
137.05960	27.9
137.09575	1.1
138.03076	1.2
138.06259	0.8
139.03938	1.0
139.07561	0.9
144.17874	0.6
145.02829	2.2
145.05112	0.5
148.97388	0.6
149.05977	2.0
149.09566	1.0
149.13254	1.0
149.97200	0.5
150.03108	5.5
151.03909	6.1
152.04660	2.8
152.05898	0.5
152.29243	0.5
153.05424	2.4
153.97864	0.6
156.86043	0.6
159.11653	0.7
163.03880	1.4
163.05040	1.4
163.07587	0.6
165.04054	1.3
165.05460	25.2
167.07028	4.0
167.08430	0.9
177.05403	3.3
177.09108	1.0
177.12755	1.2
179.03378	8.7
180.04150	100.0
181.04526	2.5
182.88947	0.5
183.06505	4.2
193.04936	3.2
194.05771	0.7
195.02827	2.1
195.06500	77.6
195.13701	1.2
196.03661	1.8
196.06789	2.1
201.36523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	Methyl 2-(4-methoxyphenyl)-2-oxoacetate
Peak:m/z	Relative Intensity
51.58666	0.8
53.03945	7.5
55.01858	5.4
55.05504	6.0
57.03424	3.0
57.07077	5.3
65.03931	5.3
65.34320	1.0
67.05497	9.9
67.57837	1.0
68.99784	57.1
69.03421	5.2
69.07066	7.6
69.78148	6.3
71.04980	2.5
77.03909	2.2
78.04711	3.4
79.05485	90.4
80.05806	1.9
81.03397	4.6
81.07051	14.2
83.04976	8.7
83.08619	3.3
84.08133	1.9
85.02914	1.4
85.06528	1.6
85.10173	16.9
87.04452	1.0
89.03915	8.2
89.06020	1.9
91.05472	15.8
91.06025	1.5
91.83498	0.8
93.03403	6.4
93.07033	34.4
95.04960	16.2
95.08585	8.4
96.05738	1.3
97.06525	9.1
97.10143	1.5
99.08084	1.0
100.82720	1.0
103.05447	8.4
105.03376	2.9
105.04520	2.5
105.07021	9.4
106.04167	12.2
107.04945	57.6
107.08584	27.5
109.02869	1.9
109.06509	4.6
109.10151	4.1
111.04454	4.8
111.08074	5.0
115.05413	0.9
117.03347	10.1
117.07017	2.3
119.04936	1.4
119.08555	4.9
120.05651	1.1
121.02865	1.7
121.06499	12.6
121.09242	1.8
121.10133	37.6
121.97945	1.0
122.06066	1.0
123.04411	1.2
123.08072	1.1
124.05132	1.1
125.05987	7.6
125.09625	35.0
127.03817	1.0
130.96272	0.9
131.04872	1.9
131.08562	2.5
133.10110	2.9
134.03648	5.7
135.04407	44.9
135.08037	17.5
135.11681	14.5
137.05983	2.9
137.09615	1.2
137.13203	1.3
138.03018	1.2
139.03877	11.5
139.07520	7.4
139.11133	1.8
145.02846	7.0
148.97340	1.3
149.05966	19.8
149.09619	4.4
149.13263	8.7
151.03938	1.4
152.04706	3.7
152.06166	1.7
153.05525	11.6
153.09090	100.0
154.06221	15.2
154.09404	1.6
155.07018	2.5
156.87576	0.9
159.11688	3.7
161.97900	0.8
163.03896	46.2
163.07558	3.4
164.04210	1.6
165.05696	1.0
165.06873	4.3
166.07768	1.2
167.03470	1.0
167.07039	13.6
167.08583	3.4
177.05455	12.2
177.09109	2.6
177.12720	7.3
177.16382	1.7
180.04166	2.5
180.07788	1.7
180.09341	4.0
181.04967	1.6
195.02914	4.7
195.06520	22.0
195.08139	3.1
195.10156	21.7
195.11728	6.7
195.13799	5.9
195.15724	1.8
195.17482	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80478	11.7
55.01867	29.5
56.29216	11.8
57.03440	67.4
60.04520	12.3
61.02929	22.4
69.03424	25.6
69.60158	72.5
69.60564	23.9
71.77552	11.1
73.02911	55.2
84.08144	46.7
85.02893	35.8
94.93008	100.0
97.02879	26.8
101.00896	18.2
119.01876	67.9
121.01622	16.1
131.01917	60.5
136.94022	18.4
137.02817	18.4
143.01869	20.5
145.03430	19.3
150.42401	12.7
157.03473	27.1
161.02977	22.1
170.99023	34.9
173.02950	55.2
185.02985	51.4
189.00079	40.5
194.94545	24.6
195.06485	22.6
197.02859	21.3
203.04054	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.1
53.03925	1.6
55.01856	2.7
57.03428	5.3
65.03917	3.5
67.05490	3.2
69.03394	1.7
71.06952	2.5
77.03917	1.7
78.04697	1.3
79.05476	8.2
80.05009	1.1
80.06270	2.4
81.07042	1.3
87.04467	2.3
89.97922	0.7
91.05469	69.4
92.05782	1.6
93.03367	1.0
93.07040	4.1
95.04945	4.3
95.08597	1.2
98.06022	1.2
102.04671	7.1
103.05456	46.9
104.06226	3.4
105.03385	5.2
105.07018	31.4
106.07336	0.9
107.04938	3.4
108.04484	1.9
108.05704	5.6
109.06493	2.1
115.05435	12.8
116.06221	26.6
117.06997	3.3
118.04137	3.7
119.04929	100.0
120.05225	1.9
121.06502	6.0
123.04402	7.6
123.08053	11.0
130.04132	4.5
131.04915	77.9
132.05759	6.9
133.02060	0.5
133.02832	25.9
133.06471	54.2
134.07263	17.2
135.08012	1.1
136.05185	5.5
136.07536	0.9
137.05943	6.1
143.04947	2.0
144.05711	6.1
145.06413	0.9
146.07294	1.3
147.04390	63.9
147.08029	3.2
148.04799	0.9
149.05946	3.1
151.07523	64.3
161.05965	21.0
162.06721	7.7
163.07527	51.5
164.07959	1.1
165.05469	12.3
166.08598	2.4
167.07010	6.5
177.09082	11.5
179.07011	77.8
180.07367	1.7
193.08595	3.3
194.09381	88.9
194.15302	4.8
195.08150	0.9
195.09798	2.7
201.01859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.86262	0.6
53.03938	1.0
55.01863	0.9
55.05500	10.3
57.07069	2.3
59.04982	1.3
65.03912	1.1
67.05495	10.4
69.07059	24.2
70.10178	2.4
71.04982	14.4
77.15087	0.6
79.05482	6.8
81.03397	1.0
81.07044	23.2
83.04962	0.9
83.08624	4.2
85.06535	11.0
91.05464	6.3
93.07032	21.8
95.04952	36.0
95.08596	18.6
97.06509	3.4
97.10155	8.8
99.08062	3.9
105.07021	11.2
107.04946	0.8
107.08580	30.8
109.06501	100.0
109.10143	13.6
110.06857	1.9
111.08067	6.6
111.11714	2.5
117.07045	0.9
118.04095	0.9
119.08566	24.9
120.05759	0.8
120.08880	0.8
121.10136	7.3
123.08060	6.8
123.11685	18.9
131.08537	1.1
133.02824	0.8
133.06505	1.0
133.10106	19.9
134.10492	1.0
135.11671	25.4
137.05855	0.8
137.09613	13.2
145.10034	1.1
147.11688	3.8
149.13237	7.9
150.10379	0.9
151.11153	4.9
151.14807	0.8
165.05415	0.9
165.09062	1.1
170.41533	0.6
175.14806	35.1
176.15144	1.2
178.02563	0.7
178.07835	0.7
193.04915	3.1
193.08603	2.0
193.10263	1.0
193.12228	1.5
193.15858	48.8
194.16179	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02358	1.7
53.03943	7.6
55.01859	6.1
55.05501	30.7
57.03415	5.5
57.07055	5.9
59.04978	3.0
65.03919	5.6
66.04706	2.5
67.05492	50.3
69.03421	16.9
69.06728	1.8
69.07052	22.5
71.04974	7.2
71.74364	1.4
79.05482	33.8
80.05026	2.0
81.03403	100.0
81.07039	47.8
81.07440	1.0
81.07521	1.7
83.04504	2.0
83.04967	36.0
83.08604	22.0
85.02875	1.7
85.06512	5.6
87.04449	2.5
87.67186	1.2
91.05462	36.6
93.07029	31.1
94.04179	2.4
95.04951	47.7
95.08592	56.0
97.02843	3.1
97.06523	6.7
97.10136	3.0
98.06006	1.5
99.08076	2.3
103.05445	5.5
105.07008	62.2
107.04930	9.5
107.08572	45.5
108.04463	3.2
109.02872	1.4
109.06498	24.8
109.10139	83.7
110.10429	1.4
111.04443	2.0
111.08067	12.5
115.05434	6.9
117.06985	4.5
118.04138	2.9
119.04943	3.9
119.08557	60.3
120.08848	1.5
121.06487	4.2
121.10120	30.9
122.03634	1.9
122.07246	2.0
123.04427	2.4
123.08041	40.3
123.11686	11.7
125.09573	2.1
129.06989	8.9
131.04955	2.5
131.08563	8.0
133.02818	6.2
133.06471	27.2
133.10104	52.0
134.10503	1.3
135.04396	2.0
135.08058	3.2
135.11668	61.1
135.17581	1.2
137.05963	6.8
137.09584	36.2
138.10365	3.7
142.07735	4.2
145.10095	2.4
146.97501	3.1
147.04416	3.5
147.08018	7.8
147.11671	15.5
148.07529	2.2
149.02301	3.6
149.05948	2.7
149.09595	6.8
149.13214	13.6
151.07544	2.0
151.11165	15.0
151.14812	11.4
157.10124	6.9
161.05956	18.5
165.05457	5.9
165.09029	2.5
165.12711	3.4
165.16328	4.2
166.08574	2.4
170.94168	1.3
175.03830	2.5
175.07533	1.5
175.11183	11.9
175.14789	37.6
178.02577	4.8
178.06256	1.3
178.07692	1.8
193.04929	30.2
193.06689	2.9
193.08562	11.9
193.10233	4.9
193.12201	22.1
193.15852	79.3
194.08118	3.2
194.15417	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03929	3.2
55.01859	2.1
55.05502	37.0
56.96537	3.0
57.03426	6.5
57.07064	6.6
57.94659	1.2
59.04983	3.4
65.03918	3.8
66.03259	1.3
66.39642	1.5
67.05492	29.3
68.80888	1.2
69.03416	6.9
69.07058	14.3
69.45658	14.2
71.04973	3.8
71.08601	2.7
79.05479	16.8
80.04984	2.4
81.03398	11.0
81.07042	28.3
83.01321	1.3
83.04966	97.1
83.08604	6.2
85.06530	14.4
87.04440	3.1
91.05463	22.0
93.07025	21.6
95.04953	15.1
95.08593	38.6
97.02808	1.8
97.06511	5.5
97.10154	1.5
97.74667	1.4
98.06044	1.6
98.21467	2.8
99.08041	2.2
103.05461	5.0
105.07018	37.4
106.07311	1.3
107.04938	2.6
107.08579	27.1
108.04466	4.3
109.02846	1.7
109.06503	12.4
109.07612	1.4
109.10139	83.1
110.10474	2.6
111.08052	4.6
115.05451	2.2
117.06955	2.1
118.75351	1.2
119.04961	2.8
119.08560	32.5
121.06476	3.6
121.10120	18.3
122.07260	2.2
123.04408	3.9
123.08048	24.3
123.11687	15.9
125.09534	2.3
129.06982	2.7
131.04918	1.4
131.08485	3.3
133.02826	6.4
133.06488	15.4
133.10104	52.9
134.07103	1.8
135.08032	5.6
135.11668	33.8
136.07610	2.7
137.05949	6.1
137.09601	22.5
137.13235	1.7
138.10329	4.2
139.11200	1.4
146.97401	3.1
147.04355	3.2
147.08032	4.8
147.11694	13.4
148.07468	2.4
149.02324	6.3
149.05980	2.5
149.09534	3.9
149.13251	5.6
151.07489	1.8
151.11151	12.0
151.14793	23.7
157.10083	3.4
161.05980	12.9
165.05473	5.2
165.06929	1.6
165.09103	3.4
165.12703	2.6
165.16397	10.2
166.08635	2.1
175.03824	2.9
175.11250	6.3
175.14789	29.9
178.02565	6.9
178.07816	4.3
193.04950	37.5
193.06834	2.1
193.08609	13.0
193.10208	4.3
193.12212	18.7
193.15857	100.0
194.08110	6.0
194.15388	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Thymyl acetate
Peak:m/z	Relative Intensity
50.52494	1.1
51.02823	1.1
53.03933	3.3
55.01858	5.5
55.05502	16.3
56.96548	2.7
57.03420	7.4
57.07057	2.9
59.04992	1.5
61.02899	1.5
65.03931	4.5
67.05495	32.1
69.03407	4.7
69.07057	13.8
70.95911	3.2
71.04984	11.8
73.18932	1.1
77.03876	1.8
79.05482	46.5
80.05003	1.6
81.03402	11.3
81.07044	50.2
83.04964	16.1
83.08609	8.7
85.02866	3.1
85.06519	2.9
87.04437	1.6
91.05466	61.1
93.07030	42.2
95.04954	69.9
95.08589	23.1
97.06522	10.8
99.04435	2.2
103.05447	3.2
105.07016	51.6
107.04955	11.3
107.08578	31.2
109.05824	2.1
109.06506	29.2
109.10143	6.4
111.04428	34.5
111.08084	2.1
112.38588	1.2
115.05434	3.3
117.06988	6.7
118.04105	1.4
119.04895	2.8
119.08566	27.4
121.06464	4.5
121.08632	1.1
121.10132	12.6
121.31999	1.1
123.04400	3.4
123.08062	5.5
123.11657	6.0
125.05941	1.9
128.06151	2.3
129.06981	15.9
131.08542	15.9
133.02876	6.8
133.06468	8.5
133.10107	56.5
135.08032	34.7
135.11670	4.0
137.05930	3.9
137.09579	4.6
142.07748	5.2
142.29596	1.2
145.10092	2.2
146.97446	3.1
147.04338	2.8
147.08066	5.5
147.11668	34.9
149.02235	2.9
149.05923	1.7
149.09590	16.1
151.07483	2.9
151.11153	33.2
157.10118	15.4
161.05870	1.9
165.05403	2.9
165.09105	2.1
165.12708	7.8
169.98976	2.0
170.65384	1.4
175.03847	2.6
175.11165	28.4
175.14778	4.5
178.02617	4.3
178.07866	3.2
179.02701	2.3
193.04944	21.5
193.08536	3.4
193.10332	4.9
193.12212	100.0
193.15747	5.5
194.08060	2.9
194.12602	1.3
194.15390	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02357	1.2
53.03940	6.9
55.01870	3.8
55.05495	9.8
56.05893	0.6
56.96550	1.0
57.03439	3.9
57.07072	0.8
59.04976	0.9
65.03929	3.5
67.05495	30.9
69.03417	2.6
69.07058	8.1
70.07439	1.2
70.07856	2.7
71.04982	12.7
72.71141	0.7
73.06548	1.1
77.03912	1.6
79.05482	56.6
81.03407	28.3
81.07044	27.1
83.04965	7.1
83.08616	5.0
85.02900	0.9
85.06515	3.5
86.06044	0.7
87.04441	1.8
91.05466	100.0
92.05815	1.1
93.07030	90.4
94.07388	1.0
95.04953	34.1
95.08586	6.7
97.06522	3.2
97.10193	0.6
98.06063	0.7
103.05476	1.0
105.03336	0.9
105.04511	2.8
105.07017	46.8
107.04942	5.0
107.08576	5.5
109.02890	0.6
109.06510	7.9
109.10138	1.9
111.04414	0.8
111.08060	2.0
113.05988	1.7
115.05424	3.0
116.06207	0.9
116.25462	0.6
117.06960	3.0
118.06541	0.8
119.04896	1.1
119.08565	22.7
119.09406	1.4
121.06502	2.2
121.10128	4.1
123.04401	1.1
123.08046	3.1
123.11700	1.1
127.07578	0.8
128.06259	1.7
129.06979	18.1
130.89854	0.6
131.08553	23.0
133.02856	3.6
133.06499	4.2
133.10109	94.8
134.10454	1.9
135.08028	2.2
135.11674	2.5
136.07542	1.0
136.79546	0.7
137.05923	3.1
137.09584	2.6
138.05403	0.7
142.07779	4.8
145.06500	0.9
145.10156	1.7
146.97452	2.4
146.99567	0.7
147.04402	1.0
147.08043	8.2
147.10559	1.2
147.11662	19.5
149.02277	1.6
149.05946	1.7
149.09604	3.3
149.13342	0.7
150.03090	0.8
151.03859	0.8
151.07570	1.7
151.11130	0.8
157.10106	18.2
160.08778	1.4
161.06068	1.2
165.05476	2.0
165.09106	0.9
165.12720	1.5
166.08586	1.4
167.66223	0.7
169.98961	0.7
175.03822	1.5
175.07607	0.9
175.11166	19.6
175.14763	3.9
176.11433	0.8
178.02536	3.4
178.07774	1.1
184.74338	0.7
193.04936	17.4
193.06393	0.6
193.08533	2.9
193.10315	2.3
193.12201	21.8
193.15813	5.0
194.08107	1.9
194.15332	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
50.51474	0.5
53.03735	0.6
53.03939	5.7
55.01869	4.2
55.05504	9.5
55.49019	0.6
56.89063	0.7
57.03421	2.6
57.07060	1.1
58.44565	0.6
65.03927	3.5
65.10472	0.6
67.05495	26.7
69.03416	4.2
69.07060	4.0
70.06552	0.7
70.88218	1.2
71.04986	3.0
77.03930	0.6
79.05013	0.9
79.05482	24.4
81.03406	100.0
81.07043	15.6
82.03705	1.0
82.07358	0.7
83.04982	6.2
83.08607	11.0
85.06551	1.0
87.04437	0.8
91.05469	24.7
93.07025	12.2
95.04955	43.5
95.08601	5.6
96.05284	0.9
97.02869	2.2
97.06519	2.2
97.10155	1.2
98.06026	0.7
99.08098	0.7
103.05459	5.7
104.64883	0.6
105.03406	0.7
105.07014	48.2
106.07361	1.2
107.04938	8.6
107.08577	6.7
108.04449	0.7
109.06498	5.3
109.10162	2.2
111.04442	2.3
111.08058	3.6
113.68591	0.6
115.05440	7.8
117.07046	2.2
118.04131	3.4
119.04971	2.2
119.08566	19.0
121.06479	3.2
121.10144	4.3
122.03686	0.6
123.04440	1.6
123.08069	2.0
123.11681	0.9
125.05994	0.7
128.06233	1.2
128.96489	0.6
129.06990	9.3
131.04892	1.3
131.08548	8.6
131.09453	0.8
131.28963	0.5
132.05789	0.6
133.02831	3.1
133.06473	30.4
133.10100	9.6
134.06981	0.9
134.10364	0.6
135.08041	1.8
135.11707	2.3
137.05962	2.9
137.09624	2.3
142.07779	2.5
143.04953	0.6
143.06033	1.8
145.10130	1.3
146.97424	0.9
147.04442	1.5
147.08017	5.8
147.11662	16.5
147.12860	0.8
149.02357	1.7
149.09633	5.2
149.13216	0.7
151.07542	0.8
151.11156	0.9
154.82384	0.6
157.10085	5.8
161.05966	25.5
162.06454	0.9
165.05486	2.5
165.09137	1.2
165.12743	2.0
167.98135	0.7
169.99059	0.6
175.03923	1.5
175.07607	1.3
175.11160	9.6
175.12440	0.9
175.14815	3.2
178.02618	1.9
193.04951	16.1
193.08583	6.2
193.10384	1.4
193.12196	14.3
193.15936	3.5
194.08113	1.3
194.15399	1.5
194.89279	0.7
206.61127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03940	4.5
55.01871	2.7
55.05504	8.9
57.03426	2.6
57.07067	0.5
65.03928	2.4
66.99392	0.2
67.05495	25.6
68.05815	0.3
69.03415	2.9
69.07050	3.3
69.62289	2.0
69.62710	0.8
71.04980	1.8
73.02869	0.3
77.03914	0.4
78.01083	0.3
79.05482	18.4
81.03406	100.0
81.07041	13.3
82.03745	1.0
83.04966	4.6
83.08604	11.5
85.06545	0.8
90.42030	0.3
91.05466	20.3
93.07030	10.6
95.04954	38.1
95.08592	3.3
96.05293	0.6
97.02876	2.0
97.06501	2.0
97.10156	0.7
99.08078	0.6
103.05460	1.0
105.03348	0.4
105.04530	0.3
105.07022	14.6
106.37561	0.4
107.04940	8.0
107.08577	4.4
109.06499	3.7
109.10139	1.7
111.04400	1.6
111.08092	2.3
115.05454	1.7
116.06215	0.7
117.07035	1.6
119.04931	1.1
119.08562	10.6
120.08089	0.4
121.06479	2.2
121.10133	3.4
123.04434	1.2
123.08064	1.2
123.11651	0.6
128.06227	0.8
129.06987	8.7
131.08549	8.0
133.02855	0.9
133.06464	5.7
133.10110	5.9
134.07191	0.3
135.08087	0.4
135.11703	0.9
136.07527	0.5
137.05971	0.8
137.09622	1.4
142.07768	2.4
145.10074	0.7
146.57170	0.3
146.97450	0.3
147.04366	0.4
147.08022	4.2
147.11665	5.8
149.02328	1.4
149.03423	0.3
149.09593	4.4
150.06726	0.4
151.03816	0.4
151.07513	0.3
151.11150	0.6
157.10115	5.9
161.05946	1.3
163.11137	0.4
165.05443	0.4
165.12733	1.3
175.03818	0.5
175.11180	5.8
175.14749	0.8
178.02583	0.8
179.07056	0.3
193.04933	3.9
193.08540	1.1
193.10570	0.5
193.12225	11.6
193.15836	2.0
194.08119	0.5
194.12459	0.4
194.15425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1221
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03938	4.3
53.17918	0.5
55.01863	3.9
55.05500	8.4
56.96554	1.0
57.03434	3.3
65.03927	3.6
67.05492	25.0
69.03426	3.1
69.07059	2.7
70.08973	2.4
71.04972	2.2
77.03937	0.5
79.05478	19.2
80.05000	0.5
81.03403	100.0
81.07037	12.0
82.03739	0.8
83.04972	4.4
83.08608	12.0
85.06531	0.7
91.05460	22.1
92.05791	0.5
93.07026	9.0
94.04178	0.7
95.04951	40.2
95.08586	4.4
97.02882	2.6
97.06518	1.6
97.10154	0.8
98.20691	1.0
98.38666	0.4
98.97650	0.5
99.08067	1.5
103.05486	2.2
105.03376	0.9
105.07011	21.5
106.06541	0.7
106.07272	0.5
107.04935	7.8
107.08580	5.1
109.06503	3.6
109.07626	0.5
109.10149	1.7
111.04440	2.2
111.08044	2.1
111.09238	0.6
115.05434	3.9
116.98656	0.6
117.07017	1.6
118.04139	2.2
119.04910	1.9
119.08562	10.4
121.06525	2.6
121.10117	3.6
122.03640	1.3
123.04423	1.1
123.08032	1.8
128.06218	1.4
129.06981	9.2
131.08545	8.5
133.02826	14.4
133.06471	17.5
133.10106	7.8
134.07092	0.6
135.08064	1.0
135.11673	1.3
137.05959	4.7
137.09589	2.4
142.07756	2.6
145.10095	1.0
147.04350	0.8
147.08015	4.8
147.11667	6.1
148.08662	0.5
149.02306	3.5
149.03403	0.9
149.05962	1.3
149.09599	4.6
149.13260	0.5
150.03081	1.6
151.07552	0.8
151.11115	0.9
157.10106	6.8
161.05949	6.8
165.05452	3.0
165.09077	0.6
165.12740	1.0
166.08574	0.7
169.99077	0.5
175.03835	1.0
175.07463	0.8
175.11163	6.6
175.14757	1.0
178.02582	8.8
183.46664	0.5
193.04936	36.8
193.08502	2.8
193.10300	1.0
193.12193	12.1
193.15750	2.7
194.05298	1.0
194.08089	0.8
194.15421	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03936	7.8
55.01856	4.4
55.05509	12.7
56.96559	3.6
57.03157	3.6
57.03429	68.7
57.07045	2.7
57.75589	2.3
59.63018	2.4
65.03920	5.1
67.05493	34.2
69.03416	6.3
69.07047	8.3
70.62840	9.1
71.04964	7.9
79.05479	33.5
80.05019	2.8
81.03413	42.2
81.07053	26.9
83.04961	5.2
83.08598	7.4
85.06517	6.5
87.04443	4.2
91.04919	4.1
91.05474	78.6
92.64222	2.4
93.07034	69.2
94.07405	2.7
95.04371	4.5
95.04951	39.1
95.08583	15.5
97.02901	2.8
97.06493	6.5
99.08084	4.7
103.05457	6.6
105.07018	82.8
107.04951	7.7
107.08581	16.2
109.06521	11.5
109.10143	15.9
111.08037	3.2
115.05391	3.1
117.07011	10.8
119.04944	6.9
119.08566	100.0
120.05246	2.9
120.08853	3.8
121.06491	55.1
121.10162	5.7
123.04421	2.8
123.08032	10.2
123.11720	3.0
129.06975	9.7
131.08572	11.6
133.02834	7.5
133.06459	15.1
133.10106	78.9
135.08022	8.8
135.11638	3.4
137.06001	6.2
137.09604	34.2
142.07782	7.0
145.06435	4.2
146.07233	5.5
146.97429	3.8
147.04382	4.4
147.08049	17.3
147.11673	50.8
149.09604	6.0
151.07516	3.7
151.11157	4.5
157.10107	14.7
160.08824	8.7
161.05994	4.4
165.05467	7.9
175.11176	55.6
175.14775	9.2
178.02618	5.8
178.07817	4.5
193.04964	42.7
193.06686	5.1
193.08545	7.6
193.10413	3.8
193.12244	32.7
193.15802	7.4
194.08018	5.8
194.15381	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	(+)-Harzialactone A
Peak:m/z	Relative Intensity
53.03926	5.0
55.01865	7.8
55.05499	9.0
56.96529	1.3
57.03426	7.9
57.07063	3.1
65.03930	4.6
67.05495	24.1
69.03419	5.5
69.07061	4.6
71.04984	4.6
71.74186	1.8
77.03901	1.3
79.05005	1.5
79.05481	27.5
80.05022	1.5
81.03403	67.6
81.07043	16.5
83.04976	5.4
83.08617	8.6
85.02909	1.0
85.06509	1.9
87.04475	1.6
90.04678	1.8
91.05466	99.1
91.42142	1.0
92.05798	1.9
93.03384	1.2
93.07038	10.4
95.04948	34.2
95.08592	6.4
97.02881	2.2
97.06499	3.1
97.07651	0.9
98.06026	1.5
99.08073	4.1
103.05453	15.2
104.06258	1.4
105.03397	1.6
105.07014	100.0
106.07330	2.1
107.04948	8.0
107.06068	1.0
107.08571	7.3
108.04429	1.6
109.02840	1.2
109.06504	7.9
109.07617	2.0
109.10136	7.1
111.04430	2.3
111.08061	3.1
113.05952	1.0
115.05433	18.1
115.06219	1.8
117.07001	3.0
118.04147	10.9
119.04894	3.0
119.08555	24.3
121.02866	2.0
121.06486	2.9
121.10123	5.6
122.03603	1.8
122.07207	1.5
123.04399	2.7
123.08049	3.5
123.11682	1.8
125.06001	1.4
129.07004	8.3
131.04910	4.0
131.08546	10.1
132.05655	2.1
133.02818	5.5
133.06468	80.2
133.10106	50.2
133.11128	2.3
134.06935	3.2
135.04402	1.4
135.08080	2.5
135.11674	3.0
136.07570	1.3
137.05992	6.4
137.09586	4.0
142.07703	1.7
143.04968	1.3
143.06032	2.6
146.97449	2.9
147.04393	4.2
147.08041	5.3
147.11674	13.9
148.07539	1.6
148.08670	1.5
149.01201	1.6
149.02318	15.9
149.05963	3.1
149.09613	3.8
149.30496	0.9
150.03128	2.2
151.03857	1.3
151.07567	2.3
151.11166	3.2
152.06995	0.9
157.10071	6.9
160.05190	1.8
161.05962	63.0
162.06462	1.4
165.05466	3.5
165.09081	2.7
165.12727	2.1
166.08533	1.4
166.09790	1.4
175.03856	2.5
175.07495	3.0
175.11179	9.9
175.14799	2.6
176.06952	1.4
178.02579	6.3
193.03180	1.8
193.04945	30.0
193.06813	1.7
193.08585	21.5
193.10342	2.7
193.12192	21.6
193.15857	8.0
194.08116	3.4
194.15399	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.4
55.01863	5.8
55.05504	7.1
56.96557	2.5
57.03426	1.5
57.07060	1.9
65.03927	2.4
67.05495	15.7
69.03409	4.0
69.07037	4.1
70.06558	1.4
70.09316	3.6
71.01343	1.1
71.04972	1.5
73.21133	0.9
77.03889	0.9
79.05485	22.3
80.05019	1.1
81.03409	43.5
81.07043	10.6
83.04955	5.6
83.06075	1.1
83.08605	7.2
85.06547	1.0
87.04459	1.3
90.04665	1.8
91.05469	28.9
92.05791	1.2
93.07024	9.7
95.04954	21.6
95.08576	5.3
97.02867	6.2
97.06528	1.5
98.97579	1.4
99.08025	1.1
103.04823	1.5
103.05457	17.1
105.03371	1.8
105.07018	100.0
106.07330	1.6
107.04938	5.9
107.08578	7.1
109.02866	1.0
109.06490	6.3
109.07656	1.5
109.10151	4.9
111.04427	1.2
111.09193	1.0
115.05440	24.8
116.98577	1.2
117.06982	1.4
118.04156	13.1
119.04925	4.1
119.08580	11.5
121.06461	2.3
121.10143	3.4
123.04403	2.7
123.08000	3.1
123.11681	2.2
125.02293	1.1
129.06970	4.3
130.34897	0.9
131.04893	4.3
131.08562	7.6
132.05693	1.6
133.02867	6.5
133.06473	93.2
133.10106	32.5
133.11128	1.5
134.06873	2.1
135.08054	2.3
135.11665	3.1
136.07553	4.3
137.05981	5.0
137.09592	3.4
142.07736	0.9
143.04993	1.3
143.05994	5.1
145.10057	1.4
146.97432	2.1
147.04405	3.7
147.08072	5.2
147.11691	5.9
148.08662	1.3
149.02306	1.7
149.05945	1.7
149.09604	3.6
150.03072	2.4
150.10283	1.2
151.03926	1.5
151.07500	2.4
151.11186	1.5
153.08772	1.2
157.10138	3.1
161.05966	82.4
162.06526	2.1
165.05452	3.9
165.09045	2.4
175.03905	2.0
175.07515	2.2
175.11151	8.2
175.14748	2.7
176.04688	0.8
178.02548	7.6
178.07661	1.1
183.58862	1.0
188.92474	1.0
193.03200	1.6
193.04941	26.2
193.06743	2.2
193.08592	18.8
193.10498	1.5
193.12251	13.1
193.14116	2.1
193.15904	6.7
193.17456	1.5
194.08112	2.9
194.15344	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0857
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03933	2.7
55.01862	5.8
55.05498	3.2
56.96543	1.2
57.03420	1.5
57.07063	1.2
59.04992	0.8
65.03922	1.6
66.04700	0.9
67.05499	8.1
68.06479	0.6
69.03416	2.8
69.07064	1.4
69.67729	4.2
70.06567	0.7
71.04971	1.1
74.22481	0.5
76.87946	0.6
77.03894	0.6
79.05477	19.0
79.05923	1.2
80.04991	1.3
81.03401	21.6
81.07043	6.5
83.04970	2.5
83.08604	3.3
84.08128	0.8
84.28294	0.5
87.04436	1.3
89.03915	0.7
90.04695	1.5
91.05460	15.9
93.07040	3.6
94.06570	0.9
95.00577	0.5
95.04948	13.7
95.05988	0.7
95.08591	3.1
96.04514	0.6
97.02879	2.7
97.06522	1.1
97.07625	0.6
98.97569	1.1
99.08078	0.6
102.04671	0.6
103.05452	15.3
104.06280	0.8
104.97408	0.5
105.03417	0.8
105.07011	100.0
106.07343	2.6
107.04934	2.4
107.08570	4.1
108.04441	1.0
109.06471	3.5
109.07607	1.0
109.10132	2.4
110.07144	0.8
111.04459	0.7
111.08030	0.8
111.09173	0.6
115.05430	21.9
116.98582	1.2
117.06997	1.1
118.04139	11.0
119.01852	0.6
119.04910	2.1
119.08550	6.1
121.06486	1.5
121.10124	2.5
122.03610	0.9
122.07120	0.7
123.04422	1.1
123.08043	2.5
125.05981	0.6
125.09634	0.7
129.06958	3.0
131.04941	4.2
131.08565	3.6
132.05629	1.4
133.02821	5.7
133.06465	83.8
133.10094	11.9
134.06895	2.2
134.99609	1.1
135.04401	1.1
135.08044	1.8
135.09032	0.6
135.11668	1.5
136.07545	2.1
137.05952	3.8
137.06940	0.9
137.09593	1.7
142.07748	0.9
143.04907	1.7
143.06021	6.3
146.97411	1.5
146.99562	0.8
147.04379	2.5
147.08029	2.7
147.11667	3.8
148.07545	0.8
148.08667	1.0
149.02307	1.2
149.05972	2.3
149.09521	2.7
150.03082	1.0
150.06656	0.9
150.10300	1.0
151.07494	0.7
151.11147	1.0
157.10115	1.6
160.05165	0.6
161.05952	80.4
162.06274	2.9
165.05457	2.6
165.09048	1.3
165.12804	0.7
166.08572	0.8
169.98997	0.7
175.03853	1.4
175.07536	1.0
175.11136	3.5
175.14807	1.1
178.02541	4.1
178.07799	0.8
193.03183	1.4
193.04930	17.8
193.06810	0.8
193.08559	13.8
193.10353	1.6
193.12187	9.1
193.14223	1.3
193.15833	3.8
193.17540	0.6
194.08096	2.1
194.15385	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03935	1.3
53.97355	0.4
55.01871	3.1
55.05511	0.6
56.05030	0.5
56.96561	0.6
57.03443	0.5
57.07057	0.5
59.32891	0.3
62.82427	0.3
65.03941	1.0
66.04719	1.1
67.05500	1.7
69.03410	0.9
69.07062	0.9
69.07659	0.4
69.73409	3.0
70.06599	0.6
71.05012	0.4
77.03899	0.7
79.05487	10.5
80.05000	0.7
81.03408	1.1
81.07056	1.6
83.05004	0.5
83.08598	0.6
85.06598	0.3
85.68987	0.4
87.04480	0.4
89.03901	1.2
90.04692	0.9
91.05472	8.2
92.02610	0.4
93.07054	1.8
94.04179	1.9
95.04956	3.4
95.06048	0.4
95.08588	1.8
97.02866	0.4
98.58038	0.4
98.97607	0.5
103.05457	11.3
105.03397	2.1
105.07020	62.6
106.07339	0.9
107.04941	1.7
107.06109	0.4
107.08567	1.2
108.04431	0.7
108.49547	0.4
109.06501	1.6
109.07623	0.8
109.10133	1.3
115.05444	13.7
117.06990	0.6
118.04158	9.0
119.04954	2.0
119.08569	3.3
121.06494	1.2
121.10127	0.7
122.03635	4.8
122.07154	0.5
123.04449	0.8
123.08038	1.4
129.07040	0.6
131.04897	3.2
131.08560	0.9
132.05702	1.0
133.02838	21.5
133.06476	57.8
133.10110	6.1
134.03233	0.4
134.06973	0.9
135.04402	1.2
135.08057	0.9
135.11696	0.9
136.07542	0.5
137.05966	5.3
137.09612	1.4
143.04918	1.0
143.05977	4.3
146.03528	0.5
146.97429	0.6
147.04395	1.4
147.08031	3.3
147.11676	1.4
148.08592	0.7
149.02319	0.7
149.06006	2.9
150.03102	18.1
150.06706	1.8
150.10199	0.7
151.03712	0.5
151.07556	0.6
161.02368	2.4
161.05962	57.2
162.06342	1.5
165.05440	3.4
165.07593	0.7
165.09085	5.6
166.08572	0.8
175.03928	1.1
175.07510	1.8
175.11174	0.9
175.14786	0.8
178.02594	67.3
178.06046	1.3
179.02931	1.9
193.04950	100.0
193.08534	10.9
193.12206	2.4
193.15866	1.6
194.05276	2.9
194.08101	1.4
194.15274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
51.02355	0.8
53.03943	4.0
53.34087	0.8
55.01862	4.2
55.05481	2.8
56.96560	0.8
57.03421	3.5
57.07048	1.5
65.03922	2.5
66.04694	1.0
67.05495	8.1
69.03403	2.8
69.07047	2.9
69.71049	5.7
71.04975	2.1
73.76134	0.7
75.04458	0.9
77.03889	1.1
79.05490	27.0
81.03410	18.6
81.07047	8.1
81.80336	0.9
83.04951	2.6
83.08596	2.5
85.06526	1.4
87.04462	1.7
90.04671	2.5
91.05474	22.9
91.71659	0.7
92.02603	1.2
92.06265	2.4
93.07024	5.3
94.04185	1.5
95.04959	13.9
95.08600	6.1
97.02850	1.1
97.06498	1.2
97.10114	0.9
103.05456	21.4
105.03370	3.1
105.07021	52.6
106.07325	1.2
107.04941	7.7
107.08559	5.2
108.05732	1.4
109.02850	2.1
109.06513	11.1
109.10133	3.2
111.04440	1.5
115.05440	5.8
117.07009	1.2
118.04156	22.5
119.04950	7.0
119.08566	10.5
120.05720	21.4
121.02856	0.9
121.06522	6.9
121.10175	1.3
122.03659	1.7
122.07242	2.0
123.04388	2.8
123.08060	3.1
123.11689	2.0
124.05199	5.6
125.05962	1.2
129.06995	3.0
131.04901	3.5
131.08507	1.6
132.05685	1.4
133.02831	3.4
133.06477	64.3
133.10101	7.7
134.07272	3.7
135.04407	15.8
135.08046	15.8
135.11665	3.1
136.07538	1.2
137.05972	10.3
137.09587	2.7
146.03563	1.4
146.97430	1.1
147.04390	7.2
147.08031	2.2
147.11661	3.5
149.02350	1.4
149.05981	5.4
149.09587	1.6
149.13258	1.1
150.03116	1.0
150.06746	43.0
151.07491	3.0
152.04633	2.0
157.10165	1.3
161.05971	26.1
162.06758	22.0
163.03900	6.1
163.07513	2.8
165.05466	4.0
165.09102	62.0
175.03854	1.7
175.07434	1.3
175.11160	3.5
175.14868	4.0
177.05455	1.8
178.02582	3.3
178.06227	12.6
178.07707	1.5
181.08536	5.0
193.04977	14.4
193.08591	100.0
193.12184	9.6
193.15929	5.7
194.09137	1.0
194.15292	1.5
199.53610	0.8
201.81287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03933	2.7
55.01851	2.6
55.05494	2.2
56.05024	1.2
56.96547	3.4
57.03437	1.4
57.07065	2.1
59.04996	1.6
65.03921	2.6
66.04705	2.6
67.05495	7.0
69.03414	4.7
69.07053	2.0
69.28219	0.9
70.06561	1.7
71.44358	1.8
75.14007	1.0
77.03917	1.2
78.04691	1.2
79.05483	20.6
80.04996	1.5
81.03414	5.6
81.07047	7.1
83.04967	2.2
83.08644	1.1
85.02869	0.9
85.06520	1.6
87.04449	1.7
89.03898	0.8
90.04670	2.0
91.05463	22.7
93.03389	1.8
93.07032	4.7
94.04165	1.6
95.04965	9.0
95.06070	1.4
95.08594	3.0
97.02863	2.8
97.06513	2.0
98.97554	1.3
103.05453	15.2
104.06236	2.7
105.03356	4.1
105.07018	38.3
107.04939	13.8
107.08593	4.5
108.04456	1.1
109.06507	5.9
109.07605	2.1
109.10130	3.2
110.06038	1.3
111.09196	1.3
115.05441	9.7
116.76155	0.9
117.07007	1.9
118.03308	1.6
118.04150	27.1
119.04950	11.0
119.08582	6.9
120.05644	2.9
121.05691	1.3
121.06489	11.8
121.10067	1.1
122.03664	1.3
122.07279	8.3
123.04459	2.2
123.08059	3.6
123.09136	1.4
123.11727	1.1
129.07048	1.3
131.04907	2.2
132.05710	1.8
133.02013	1.2
133.02855	12.8
133.06477	100.0
133.10121	8.7
134.07239	6.5
135.04401	11.1
135.07085	1.6
135.08028	7.5
135.11687	2.2
136.07603	1.4
137.05989	7.8
137.09575	2.2
142.07736	1.0
146.03619	2.7
146.97456	2.7
147.04472	4.3
147.08018	4.2
147.11682	3.5
148.07590	1.8
148.08644	1.7
149.02304	3.4
149.05989	4.3
149.09589	1.7
150.03104	1.9
150.06743	32.5
150.10147	1.8
151.03899	1.2
151.07478	2.2
151.11179	1.5
152.04701	1.1
152.08200	1.1
160.08795	0.9
161.02350	1.6
161.05971	35.3
161.07339	1.8
162.06746	2.7
163.03844	1.3
163.06497	1.1
164.04675	5.5
165.05528	5.1
165.09102	86.4
166.09549	2.6
175.03902	2.4
175.07518	1.8
175.11182	4.2
175.14825	2.5
176.11792	0.9
178.02583	9.7
178.06218	6.1
178.07632	1.3
179.06929	1.5
185.06389	0.9
193.04944	38.8
193.08588	52.4
193.10400	3.3
193.12207	9.6
193.14143	2.0
193.15892	5.4
193.17635	1.2
194.05406	1.1
194.08087	1.8
194.15372	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0857
Annotation	Dictafolin A
Peak:m/z	Relative Intensity
53.03934	2.5
55.01859	2.0
55.05490	2.5
56.96540	1.4
57.03421	1.5
57.07050	2.6
65.03917	1.6
67.05499	4.0
69.03400	1.3
69.07046	3.2
71.04977	1.6
71.33640	0.9
71.33983	1.6
79.05482	10.4
80.04990	1.3
81.03397	2.9
81.07052	5.9
83.04946	1.6
83.08624	1.3
85.02876	0.9
85.06540	1.5
87.04436	1.2
91.05467	12.1
93.07034	4.9
94.04198	1.1
95.04961	7.1
95.08595	5.3
95.15488	0.8
97.06518	0.9
103.05453	27.3
105.03394	0.9
105.07020	20.7
107.01305	1.1
107.04944	18.2
107.08578	5.3
109.02862	1.3
109.06506	11.3
109.10139	2.2
111.04433	7.3
111.07980	0.8
115.05428	2.9
117.07012	1.8
119.04917	3.7
119.08562	7.1
120.05724	1.7
121.06479	1.5
121.10110	1.7
122.03689	1.0
123.04405	2.3
123.08049	2.5
123.11669	3.0
129.07005	1.7
131.04909	3.3
132.05605	0.9
133.02846	4.0
133.06473	4.0
133.10107	7.6
135.04420	0.9
135.08037	42.0
135.11694	4.1
136.07477	0.9
136.08418	1.1
137.02328	3.7
137.05992	2.9
137.09587	2.3
139.03909	2.0
146.97421	2.3
147.04379	2.7
147.07994	1.9
147.11665	2.7
148.05022	1.2
149.02290	2.0
149.05983	1.1
149.13232	1.2
151.03883	27.9
151.07521	1.4
151.11148	1.7
152.04668	100.0
153.05038	1.5
161.05940	2.8
163.07506	19.7
164.08026	0.9
165.05441	13.3
165.09120	3.1
165.12563	0.9
166.08641	1.6
166.25117	0.7
169.98993	1.3
175.03818	1.2
175.07533	2.6
175.11215	2.1
175.14783	6.0
178.02571	2.8
178.07814	1.8
193.04958	17.8
193.08539	17.3
193.10152	3.0
193.12132	5.1
193.14223	1.0
193.15866	9.0
193.17645	1.2
194.08141	2.5
194.15430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0495
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.02376	0.4
53.03936	0.8
55.01859	1.7
55.05506	0.6
56.96536	0.5
57.07055	0.4
59.04990	0.5
62.97637	0.3
63.51320	0.3
65.03919	0.8
66.04703	1.1
67.05509	1.6
69.03426	0.6
69.07058	0.6
70.06570	0.6
71.65659	0.6
76.03127	0.3
77.03935	0.9
79.05486	5.9
81.03395	1.0
81.07027	1.5
83.04961	0.9
83.08590	0.5
85.02904	0.5
89.03894	0.9
91.05470	5.4
93.07029	1.5
94.04184	1.6
95.04971	2.8
95.08598	1.0
95.74606	0.3
97.02864	0.8
98.06071	0.3
98.97578	0.4
103.05468	7.1
104.06261	0.3
105.03381	1.8
105.07024	37.0
106.07332	0.4
107.04959	1.7
107.06016	0.4
107.08582	1.0
109.06484	1.3
109.07659	0.5
109.10147	1.1
111.09187	0.6
115.05447	8.2
116.94995	0.3
117.03400	0.4
118.04161	6.3
119.04914	1.4
119.08553	1.8
121.02815	0.5
121.06472	0.8
122.03637	5.1
122.07236	0.7
123.04475	0.3
123.08038	0.8
129.06984	0.3
131.04932	1.5
132.01979	0.5
132.05692	0.9
133.02841	21.4
133.06479	35.9
133.10112	2.9
134.03253	0.4
134.07034	0.5
135.04411	0.8
135.08049	0.6
135.11703	0.8
137.05968	5.3
137.09578	0.8
143.04929	0.5
143.06018	1.8
147.04433	1.6
147.08015	1.9
147.11690	1.3
148.07619	0.4
148.08673	0.4
149.02362	1.0
149.05946	2.6
150.03104	18.3
150.06720	2.5
150.10229	0.4
151.07486	0.6
151.11188	0.3
160.01530	0.3
160.84918	0.3
161.02367	3.0
161.05968	32.2
162.06459	0.4
165.05463	2.9
165.09094	4.8
175.03934	0.7
175.07559	1.0
175.11168	1.0
175.14778	0.7
178.02600	69.1
179.02945	1.5
193.04956	100.0
193.08531	8.7
193.12100	2.0
193.15915	1.5
193.17535	0.3
194.05342	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.34345	0.8
53.03928	1.2
55.01848	1.0
55.05506	19.2
56.05826	0.9
56.96561	0.9
57.07072	6.7
63.26227	0.7
65.03922	1.7
66.18829	0.8
67.05498	22.2
67.58501	0.9
69.03385	1.4
69.07061	50.3
69.65067	4.0
69.65492	1.9
71.04969	1.1
71.08617	1.0
79.05483	22.8
81.06598	1.5
81.07049	22.3
83.08157	1.3
83.08610	17.6
91.05466	15.1
93.07032	65.4
95.04950	4.1
95.08595	83.7
96.08924	2.5
97.06503	1.1
97.10162	9.8
103.05466	1.7
105.07021	12.4
107.04926	3.1
107.08581	76.4
108.08922	1.4
109.06487	3.5
109.10145	52.6
110.10493	1.2
111.08080	1.0
111.11700	2.2
115.05435	1.9
117.06978	3.9
119.08545	6.6
121.06527	1.8
121.10130	94.1
121.69450	0.8
122.10440	1.8
123.08052	3.7
123.11690	7.9
129.06963	1.3
130.02242	0.8
131.04858	1.4
131.08560	7.8
133.06482	1.5
133.10109	7.7
135.04422	0.9
135.08055	6.1
135.11676	70.8
136.12039	1.4
145.06522	1.0
145.10126	6.2
146.05966	1.9
147.07967	0.9
147.11676	3.8
148.05154	0.9
149.09604	2.7
149.13243	19.4
150.10228	0.8
158.10945	1.6
159.21902	0.8
160.04976	1.7
161.09642	1.5
162.05490	0.8
163.07475	2.2
163.11180	1.8
163.14813	2.6
167.05481	1.0
169.03453	1.0
173.09624	2.6
173.13255	5.7
176.04672	1.2
176.11873	1.4
177.07822	1.0
183.82858	0.8
191.03351	2.1
191.06943	5.2
191.10565	4.4
191.14307	16.8
191.17924	100.0
192.04453	0.7
192.06500	2.3
192.10159	3.3
192.18219	3.1
211.37230	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1791
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.84587	1.5
53.03914	4.7
55.05502	27.4
57.07051	7.4
57.67466	1.9
67.05178	2.2
67.05498	26.5
69.03413	2.8
69.06686	2.2
69.07059	43.5
70.03470	3.5
70.03875	6.4
71.08611	1.9
76.50341	1.8
79.05479	21.0
81.03381	2.6
81.07048	26.5
83.04972	2.3
83.08606	24.5
91.05463	17.0
93.07028	57.8
95.04934	6.8
95.08591	71.2
97.10156	16.5
105.07024	17.2
107.04891	3.8
107.08571	69.2
109.06501	4.3
109.10142	89.8
117.06983	4.7
119.08543	5.3
121.06495	3.8
121.10123	100.0
123.08034	2.6
123.11712	10.8
131.08571	8.8
133.10103	10.4
135.08046	12.9
135.11670	81.4
136.11934	1.7
145.10089	6.3
146.05989	3.1
147.11751	3.8
149.09575	4.5
149.13225	21.1
158.10901	1.8
160.04999	2.9
163.03693	2.3
163.07495	2.3
163.11162	3.4
163.14789	4.4
173.09605	3.8
173.13191	7.9
177.07756	3.2
191.03320	3.1
191.07034	5.6
191.08507	2.6
191.10617	7.1
191.14297	33.9
191.17911	78.3
192.06546	3.8
192.10168	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03920	2.0
55.01852	1.2
55.05501	18.7
55.44209	1.2
57.03408	1.3
57.07072	7.9
65.03916	1.9
67.05497	25.9
69.03397	1.7
69.06679	2.4
69.07059	48.8
71.04964	3.1
71.08615	1.2
71.75118	2.0
75.55364	1.3
79.05482	25.8
81.06595	1.8
81.07044	25.1
83.04965	2.7
83.08611	17.1
85.06525	1.5
90.58324	1.3
91.05463	19.4
93.07030	67.3
95.04967	6.5
95.08595	84.0
97.06490	2.1
97.10159	9.5
103.05428	3.8
105.07026	19.7
107.04936	4.3
107.08579	79.9
109.06515	7.4
109.10146	56.5
111.11682	1.9
117.06994	5.3
118.04148	1.1
119.01289	1.4
119.08558	11.4
119.25488	1.1
121.06502	3.3
121.10130	91.8
122.10468	2.9
123.08047	4.9
123.11689	7.4
129.06961	1.4
130.07719	1.7
131.04919	2.4
131.08559	20.9
132.60226	1.1
133.06502	2.8
133.10107	9.9
133.10954	1.5
135.04398	2.0
135.08054	16.4
135.11676	71.6
136.12019	1.6
143.08585	4.1
144.09297	1.2
145.06468	2.5
145.10094	13.5
146.06013	1.6
147.07979	1.2
147.11670	10.4
148.05182	1.2
148.08707	1.3
148.12410	1.6
149.06113	1.2
149.08369	1.3
149.09589	3.9
149.13243	21.5
158.10905	6.3
160.05019	2.8
163.03882	5.2
163.07483	2.2
163.11125	2.0
163.14790	4.5
173.09575	2.5
173.13249	22.7
176.04706	1.2
177.07829	1.7
181.33806	1.2
191.03323	1.6
191.06976	6.4
191.08647	1.5
191.10719	5.8
191.14294	34.6
191.17929	100.0
192.06380	2.1
192.10214	4.1
192.13841	1.5
192.18323	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.179
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03923	1.4
55.05501	16.6
55.54025	1.1
56.96460	1.0
57.07059	4.3
58.91720	0.9
65.03924	1.2
67.05488	14.6
69.07058	42.0
69.78853	0.9
69.85542	4.5
79.05479	16.3
81.07040	18.8
83.08150	1.5
83.08604	16.0
91.05458	8.5
93.07030	56.4
94.07355	1.0
95.04955	2.1
95.08591	78.0
96.08924	1.0
97.10162	7.9
105.07030	9.0
107.04961	1.4
107.08577	63.3
109.06501	1.9
109.10138	45.2
111.11689	1.8
117.07017	1.1
119.08553	3.7
121.06452	1.6
121.10126	84.5
122.10435	1.2
123.08046	2.0
123.11703	6.9
131.08545	3.0
133.10107	3.0
135.08044	2.5
135.11673	65.7
136.11954	1.1
143.08560	1.2
145.10107	2.0
147.29320	0.9
148.12448	1.6
149.09616	1.3
149.13237	15.0
155.42247	1.0
160.05098	0.9
163.14792	1.6
173.13277	1.8
176.48586	1.0
191.06975	2.0
191.10706	2.0
191.14328	7.8
191.17921	100.0
192.18277	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.22005	1.5
55.01859	4.5
55.05496	7.0
56.96539	1.8
57.03427	1.7
57.07058	3.0
59.75596	1.4
65.03945	2.0
66.17017	1.5
67.05180	2.2
67.05499	23.3
69.03408	5.2
69.07057	9.6
69.67689	12.8
71.04989	16.0
73.34382	1.5
79.05485	20.2
81.07050	18.2
83.04958	3.4
83.08588	4.5
85.06508	5.4
91.05470	29.1
93.07040	24.8
95.04961	17.7
95.08599	20.2
97.05948	1.7
97.06502	9.5
98.21416	2.6
99.16092	1.7
103.05418	3.7
105.07027	47.5
107.04942	6.3
107.07909	2.4
107.08589	42.9
108.43481	1.7
109.05830	2.7
109.06510	42.7
109.10150	79.6
111.08059	1.6
115.05426	4.3
116.06236	3.9
117.06994	7.9
119.08573	14.7
121.06487	7.9
121.10136	27.3
123.08063	18.7
129.06970	4.5
130.07776	2.7
131.04919	2.4
131.08559	63.8
133.06468	2.9
133.10115	86.4
135.04457	1.6
135.08041	98.4
135.11652	7.6
141.13428	1.7
143.08530	7.7
144.09363	3.3
145.06459	3.0
145.10120	22.7
147.08003	4.3
147.11702	13.6
148.07564	1.9
148.08777	2.6
149.02321	3.5
149.05907	2.2
149.09601	17.4
149.13234	13.4
150.10341	4.8
158.10889	15.4
161.09563	4.7
163.07523	4.0
163.11205	4.3
173.09608	3.4
173.13249	64.7
174.13467	2.1
176.04614	2.0
176.11906	3.7
176.19060	1.6
191.03371	4.4
191.06917	8.3
191.08621	2.8
191.10631	7.3
191.14290	100.0
191.17813	3.6
192.06488	4.6
192.10159	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
55.01863	1.4
55.05503	2.5
56.96544	0.6
57.03424	0.8
67.05488	6.2
69.03440	0.8
69.07060	3.7
69.61734	2.1
69.62161	2.9
71.04980	4.5
76.58726	0.6
79.05132	0.6
79.05488	6.4
81.07053	6.3
83.08639	1.0
85.06525	2.2
91.05470	13.1
93.07023	7.6
95.04973	3.4
95.08598	5.2
97.06524	4.8
98.21466	1.2
103.05466	2.8
105.07017	29.6
107.04935	2.0
107.08583	10.2
109.06499	7.3
109.10142	14.2
111.08084	1.1
115.05449	1.5
116.06187	0.9
117.06978	3.4
118.07782	1.0
119.08557	8.2
121.06489	2.1
121.10124	8.2
123.08059	6.7
129.07007	2.5
130.07756	1.1
131.04865	1.0
131.08553	33.5
132.08882	1.2
133.10110	100.0
134.10435	2.4
135.08034	18.8
135.11670	1.4
143.08537	4.2
144.09325	1.8
145.10114	11.6
147.11687	3.4
148.05212	0.9
149.09570	3.5
149.13248	5.1
155.08490	0.8
158.10886	7.8
163.07565	1.9
163.11148	1.1
163.14793	0.8
171.11652	0.9
173.05875	0.8
173.13235	38.9
174.13478	0.7
191.03300	3.0
191.07045	1.9
191.10620	1.5
191.14287	26.2
191.17920	1.8
192.14665	0.6
207.75749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01840	2.5
55.05497	3.9
57.62293	1.6
67.05497	28.6
69.03404	4.9
69.07056	10.0
70.07726	2.0
71.04980	17.3
71.35295	1.8
71.35625	2.0
77.34290	1.7
79.05473	12.8
81.07060	13.5
83.08591	5.5
85.06524	8.8
85.49538	1.6
85.91203	1.7
91.05476	21.4
93.07036	16.4
95.04954	17.9
95.08596	14.2
96.73552	1.8
97.06493	5.9
105.07027	31.7
107.08578	44.9
109.06505	31.0
109.10146	100.0
115.05422	4.0
116.06255	2.2
117.06969	8.4
119.08578	11.5
121.06479	6.9
121.10134	33.9
123.08063	18.8
129.06961	2.6
131.08546	54.1
133.06488	2.3
133.10120	24.4
135.08034	96.5
135.11646	3.5
143.08533	6.3
144.09322	4.1
145.10132	13.7
147.08038	3.8
147.11662	10.3
148.08759	2.9
149.09561	13.9
149.13216	10.7
150.10384	4.0
158.10861	11.6
161.09605	4.8
163.11073	2.4
173.13235	49.7
176.11897	4.2
191.03369	3.7
191.14297	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52356	0.7
53.03940	1.2
55.01863	1.9
55.05495	3.5
57.03423	1.2
57.07066	1.1
65.03925	1.1
67.05490	9.2
69.03410	1.5
69.07059	8.1
69.70287	3.1
69.70719	1.8
71.04983	5.5
73.02605	0.6
79.05482	8.8
81.03419	0.8
81.07043	8.1
83.04961	0.8
83.08601	2.9
85.06538	2.1
89.03912	1.1
91.05465	17.2
93.07030	12.0
95.04952	8.2
95.08596	9.4
97.06517	6.6
97.10165	0.9
102.04655	0.7
103.05456	8.3
105.03348	0.9
105.07019	30.6
107.04948	6.5
107.08580	16.6
107.09303	0.9
109.06503	14.9
109.09394	1.6
109.10139	29.2
111.08077	1.3
115.05433	4.1
116.06234	1.4
117.07011	5.4
118.04160	1.8
118.07844	0.9
119.04960	1.3
119.08567	9.8
120.48463	0.6
121.06504	5.0
121.10128	11.9
123.04357	0.7
123.08063	8.5
127.59795	0.7
129.06984	3.6
130.07822	1.3
131.04907	5.3
131.08554	36.2
132.08838	0.9
133.02855	1.3
133.06461	1.6
133.10110	100.0
134.10439	2.0
135.08031	39.5
135.11678	4.3
143.08543	5.3
144.09348	2.6
145.06412	0.9
145.10095	14.3
146.03656	1.0
147.04396	1.3
147.07993	2.0
147.11659	9.6
148.05162	5.4
149.09608	7.1
149.13240	8.4
150.10347	1.2
158.10883	10.5
160.04919	0.7
161.09605	2.4
163.03844	1.6
163.07520	9.4
163.11209	2.1
163.14832	0.9
171.11600	1.2
173.09587	1.2
173.13240	45.7
174.13524	1.7
176.04616	1.2
191.03401	10.4
191.05081	1.3
191.05383	1.2
191.06995	9.2
191.10649	4.7
191.14282	55.8
191.17941	2.0
192.14603	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.12779	1.8
53.03910	2.3
53.82183	1.6
55.05494	7.7
57.07054	3.2
65.03922	2.0
67.05490	25.2
69.03407	7.3
69.07065	10.2
70.78385	6.6
71.04611	2.6
71.04981	43.5
72.70547	1.6
73.67969	1.8
79.05476	21.5
81.03434	3.0
81.07050	20.5
83.04965	7.3
83.08588	3.6
85.06521	16.7
91.04920	2.4
91.05460	30.0
93.07024	27.5
95.04958	12.1
95.08587	17.7
97.06509	16.3
101.78471	1.9
103.05445	7.1
105.07011	63.3
107.04925	7.2
107.08569	71.3
109.06495	15.3
109.10135	49.9
111.08063	5.9
115.05435	4.3
116.06178	2.3
117.06972	11.6
118.04100	2.5
119.08575	21.4
121.06498	14.0
121.10125	88.3
122.07322	2.2
123.08047	34.4
129.06946	4.9
131.04851	3.8
131.08548	56.0
132.05615	2.1
133.06520	13.7
133.10103	91.7
134.10475	2.8
135.04483	3.1
135.08028	32.3
135.11624	9.1
137.09566	3.0
143.08519	5.7
144.09319	2.5
145.06491	2.4
145.10088	19.6
147.08006	2.0
147.10526	2.9
147.11644	25.2
148.05133	4.1
148.08772	1.9
149.09583	13.4
149.13220	25.1
158.10863	11.6
161.05943	3.3
163.07523	7.2
163.11133	5.5
163.14780	3.6
167.05527	4.5
169.03426	2.6
173.09560	3.7
173.13234	55.0
176.04657	4.8
191.03317	7.5
191.05414	3.1
191.06956	12.7
191.08502	1.9
191.10635	9.3
191.14275	100.0
191.17938	3.4
192.14609	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03934	2.5
53.35785	1.4
55.01853	5.4
55.05497	5.7
57.07042	2.0
60.55003	1.5
65.03930	2.8
67.05494	30.4
69.03407	2.5
69.07059	10.8
71.04980	31.1
71.54290	3.5
74.87556	1.8
79.05489	17.4
81.07046	17.5
81.22254	1.6
83.04970	2.6
83.08598	5.3
85.06548	10.4
90.68431	1.5
91.05470	25.5
93.07045	21.3
95.04952	15.2
95.08597	18.7
97.06514	5.9
103.05429	2.2
105.07027	47.7
107.04954	6.4
107.08585	58.1
108.08881	2.1
109.06509	47.5
109.10143	97.2
110.10463	3.5
111.08086	2.7
115.05435	5.2
116.06213	3.1
117.07029	8.5
118.04108	4.9
119.08573	17.9
121.06489	7.4
121.10130	45.7
123.08050	27.2
129.06984	3.7
131.08554	60.6
133.05678	1.3
133.06479	44.4
133.10114	31.7
135.08038	97.2
135.11661	5.4
143.08533	6.6
143.15848	1.9
145.10101	16.4
147.08035	5.1
147.11671	15.6
148.08737	3.6
149.09589	17.4
149.13249	13.8
150.10349	4.9
158.10901	11.0
161.05981	15.8
161.09615	4.1
163.11151	3.2
163.14853	3.4
173.13246	56.0
176.11966	3.4
191.06998	7.4
191.14287	100.0
192.14622	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03929	2.6
55.01878	3.0
55.05502	9.3
57.07068	8.2
65.03947	2.1
66.23248	1.3
67.05183	2.2
67.05497	29.2
69.03424	7.1
69.07062	14.6
70.43253	4.8
71.04987	16.8
71.68835	1.6
77.73016	1.6
79.05479	28.0
81.07046	21.5
83.04972	4.9
83.08601	6.9
85.06540	7.1
91.05466	35.6
93.07034	40.2
95.04957	14.0
95.08584	18.7
97.06521	8.7
103.05439	6.5
105.06323	2.8
105.07022	50.6
106.87749	1.5
107.04928	5.3
107.08579	66.9
109.06507	26.4
109.10145	61.9
111.08041	2.6
115.05415	3.9
116.06200	3.3
117.07008	16.8
119.08557	23.0
121.06473	6.7
121.10127	44.9
123.08063	20.3
129.06995	10.9
130.07761	5.0
131.04897	4.2
131.08551	81.5
133.06491	3.1
133.10126	28.1
135.04329	1.6
135.08038	43.0
135.11702	12.3
143.08548	11.8
144.09317	8.8
145.06494	2.5
145.10106	45.9
146.05879	2.1
147.08038	2.9
147.11671	26.4
148.05179	1.9
148.08775	3.3
149.09573	13.2
149.13232	17.2
150.10330	3.2
156.07997	1.7
158.10881	19.4
159.04381	1.7
161.09579	2.6
163.03891	6.2
163.07527	6.1
163.11177	4.4
163.14755	5.2
173.09605	6.0
173.13240	100.0
174.13608	2.5
191.03372	4.3
191.06949	8.3
191.10663	12.1
191.14288	96.6
191.17897	9.7
192.06555	4.7
192.10179	2.0
192.14699	1.7
205.18216	1.7
211.78465	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03936	1.8
55.05506	4.3
57.03420	1.6
57.07065	2.0
59.05263	0.9
65.03944	1.7
67.05505	5.7
67.05820	1.0
69.03410	1.6
69.06728	1.3
69.07062	14.1
70.34491	2.6
71.04988	5.3
79.05479	7.8
81.07049	6.6
83.04956	2.1
83.08611	2.1
85.06525	3.3
91.04911	1.3
91.05463	19.2
93.07031	18.7
95.04957	5.8
95.08593	9.8
97.06526	3.6
98.21327	1.5
103.05442	2.8
105.07018	53.2
107.04935	2.4
107.08578	25.3
109.06517	6.1
109.10152	8.0
111.08062	1.3
115.05440	1.7
116.06228	1.8
116.37298	0.8
117.06994	5.1
118.07758	1.5
119.08559	12.3
121.06493	3.5
121.10127	21.2
121.95585	0.7
123.08063	5.0
129.06998	4.0
130.07748	1.8
131.08545	34.5
133.10112	100.0
134.10460	1.4
135.08032	19.5
135.11678	4.8
143.08522	4.9
144.09290	1.8
145.06474	1.7
145.10114	12.6
146.05959	1.4
147.08002	1.4
147.11661	10.2
148.05077	0.9
148.08772	0.9
149.09593	8.2
149.13232	29.4
150.13628	1.0
158.10863	7.2
160.05017	1.6
161.09564	1.1
162.10457	0.8
163.07523	2.5
163.11172	1.8
164.76849	0.8
173.05888	1.0
173.09714	1.7
173.13245	29.9
176.11952	1.5
177.07721	0.8
191.03366	2.3
191.07001	3.1
191.10651	4.5
191.14296	32.5
191.17909	3.4
192.06448	1.3
192.10083	1.5
192.14680	0.9
194.72850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94339	1.5
55.01860	3.5
55.05502	7.4
57.07052	2.7
60.49683	1.4
63.77498	1.3
65.03924	2.4
66.15541	1.3
67.05495	26.6
69.03407	3.8
69.07055	11.6
69.72408	6.9
69.72823	3.7
71.04984	30.7
75.95599	1.6
77.13885	1.6
79.05079	1.6
79.05484	18.4
81.07043	14.9
83.08573	3.3
85.06516	12.4
91.05469	25.4
93.07030	23.2
95.04949	16.0
95.08585	23.5
97.06512	11.2
103.05439	6.9
105.07014	42.6
107.04939	5.7
107.07829	1.8
107.08572	49.6
109.06501	36.3
109.10142	87.6
111.08067	3.0
115.05441	4.2
116.06200	2.0
117.07005	12.4
118.04148	1.6
119.08570	17.0
121.06473	6.3
121.10129	54.5
123.08047	38.6
129.06989	2.6
131.04912	4.2
131.08546	57.6
133.06473	11.6
133.09154	3.2
133.10107	37.3
135.08037	87.2
135.11649	7.0
143.08527	6.5
144.09337	3.3
145.06473	2.0
145.10112	16.1
147.08017	3.2
147.11664	13.7
148.08794	3.1
149.05891	2.0
149.09599	16.6
149.13208	14.0
150.10355	3.3
158.10901	12.3
161.05927	5.8
161.09538	2.9
163.07487	3.7
163.11110	3.5
163.14777	1.7
166.96677	1.7
173.13246	58.2
176.04585	2.2
186.28734	1.6
191.03351	10.2
191.06937	8.5
191.10651	6.3
191.14281	100.0
191.17915	3.5
192.14574	2.2
201.85516	1.6
212.15340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01856	2.0
55.05504	5.8
56.96548	2.1
57.03425	1.1
57.07052	2.0
59.04978	1.2
65.03911	1.3
67.05497	13.0
69.03423	7.0
69.07062	12.0
71.04984	13.0
77.03934	1.1
78.71848	0.8
79.05480	13.8
81.03385	1.2
81.07050	14.9
82.06535	0.9
82.34315	1.0
83.04947	2.7
83.08599	2.5
85.06532	7.7
89.03900	2.7
91.05471	26.4
93.06430	1.0
93.07026	20.2
95.04947	10.7
95.08592	19.3
97.06524	13.8
103.05431	3.3
105.07016	32.1
107.04934	10.4
107.08579	43.1
109.05814	1.3
109.06507	13.5
109.10136	21.9
111.08057	4.4
115.05435	3.2
116.06181	1.2
117.03326	1.0
117.07008	8.5
118.04119	1.0
119.04900	1.1
119.08569	14.4
121.06502	6.7
121.10134	37.4
123.08051	7.2
123.11694	1.5
129.06984	3.5
130.07793	1.4
131.04886	2.0
131.08549	30.2
133.06468	1.9
133.10114	30.8
134.69635	1.0
135.04405	1.9
135.08037	34.3
135.11678	7.3
136.10117	0.9
143.08481	5.6
144.09293	2.2
145.06468	1.7
145.10112	15.5
146.06000	1.2
147.04385	1.0
147.07982	1.1
147.11679	15.4
148.08792	1.0
149.02332	1.4
149.09598	8.9
149.13237	13.8
158.10875	10.0
160.05060	1.3
161.05920	1.0
161.09621	1.7
163.03888	2.1
163.07509	3.8
163.11147	3.5
163.14790	3.4
167.05505	1.2
173.05890	1.2
173.09612	3.3
173.13235	33.2
176.04651	1.3
183.71817	0.9
191.03374	32.6
191.05220	2.1
191.07031	11.5
191.08789	2.0
191.10670	8.6
191.14284	100.0
192.14696	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0701
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
55.01854	2.9
55.05500	4.9
55.82088	2.1
57.07065	4.2
66.04720	2.9
67.05501	13.5
69.03378	3.9
69.07053	9.8
71.04977	6.6
71.31963	3.7
71.32291	3.0
79.05482	22.4
81.07041	11.3
83.04984	3.5
83.08617	3.9
85.02895	3.6
90.04694	4.0
91.05471	25.0
93.07034	20.8
95.04964	14.9
95.08598	14.7
97.06500	4.2
102.04681	4.3
103.05451	74.9
105.03389	9.9
105.07019	47.5
107.04945	37.6
107.08575	31.0
109.06522	9.6
109.10143	18.5
114.06824	2.2
115.05434	10.5
117.07029	17.2
118.04156	19.6
118.06537	2.6
119.04934	9.3
119.08543	11.5
120.05729	6.3
121.02757	2.2
121.06484	6.1
121.10131	23.6
123.04457	3.4
123.08070	6.8
129.06955	4.4
130.04109	13.3
131.04922	43.0
131.08548	22.9
132.05661	7.6
133.02815	12.1
133.06438	14.5
133.10092	20.1
135.04384	3.2
135.08043	38.0
135.11670	9.9
145.06512	14.7
145.10069	17.8
146.03633	8.6
146.05968	4.7
147.04393	7.8
147.11668	7.7
148.05176	47.5
149.05988	3.7
149.09613	8.9
149.13251	7.7
151.73073	2.6
158.10847	3.9
160.05159	4.1
161.06050	3.2
163.03896	5.0
163.07518	100.0
163.08885	4.8
163.11116	5.3
167.05490	2.3
169.03424	3.8
173.05888	6.0
173.07239	2.4
173.09583	11.5
173.13245	17.8
175.11127	2.2
176.03333	2.2
176.04701	11.8
191.03365	9.3
191.06944	54.2
191.10626	16.9
191.14284	62.2
191.17947	7.9
192.06461	2.6
192.10214	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.07
Annotation	1,2-Dihydroxy-7-hydroxymethylnaphthalene
Peak:m/z	Relative Intensity
53.03947	1.1
55.01864	2.6
55.05505	1.0
56.96556	1.5
57.03422	1.0
57.07061	0.6
65.03933	0.7
66.04715	0.8
67.05495	1.6
69.03428	0.9
69.07060	1.2
69.83057	2.4
70.06569	0.5
71.04967	0.9
72.93784	0.7
73.02930	0.4
79.05489	5.6
81.03418	0.9
81.07047	1.4
83.04975	0.7
85.02882	1.0
89.03915	0.6
90.04671	1.0
91.05463	7.9
93.03406	0.4
93.07031	2.8
95.04953	2.2
95.06016	0.4
95.08583	1.2
97.06538	0.5
98.97567	0.8
103.05455	8.1
105.03386	0.5
105.07015	27.3
106.07348	0.6
107.04933	2.8
107.08586	3.3
109.06483	1.1
109.07656	1.0
109.10146	1.5
110.07119	0.8
115.05439	11.8
116.06262	0.7
116.98606	1.1
117.03394	0.4
117.07003	10.6
118.04145	14.1
119.01799	0.9
119.08553	1.7
120.08101	0.5
121.02881	0.5
121.06506	1.8
121.10110	2.6
123.08054	0.8
123.11718	0.5
128.98570	0.6
129.06982	0.8
130.07732	0.8
131.04909	3.1
131.06990	0.5
131.08545	13.9
133.06471	100.0
133.10074	2.7
134.06798	1.8
134.99622	0.4
135.04367	1.0
135.08022	3.1
135.08987	0.6
135.11658	1.0
136.08684	0.5
143.04984	0.5
143.06056	1.2
143.08546	0.5
145.06470	6.5
145.10097	6.5
147.04391	0.7
147.07953	0.8
147.11624	0.9
148.08687	0.9
149.02295	1.0
149.05951	0.9
149.08455	0.4
149.09564	1.9
149.13235	1.1
149.96069	0.5
150.10219	0.7
150.96841	1.5
151.10942	0.4
155.04857	1.5
155.06003	0.9
160.05081	0.5
161.05957	45.3
162.06299	0.9
163.03896	1.0
163.07504	1.2
163.11124	1.5
167.05492	0.5
167.97186	0.7
173.05956	6.6
173.09550	1.5
173.13315	2.2
176.04688	0.4
179.06985	3.4
191.03314	1.6
191.06984	23.9
191.10612	5.6
191.12691	0.8
191.14250	6.4
191.17955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0701
Annotation	Oospolactone
Peak:m/z	Relative Intensity
51.02365	1.1
53.03932	1.9
54.54374	0.7
55.01850	2.7
55.05499	2.4
57.03416	1.1
57.07047	1.5
57.08611	0.8
65.03905	1.9
66.04690	2.4
67.05493	8.3
68.99757	3.5
69.03399	2.8
69.07043	3.8
70.37946	1.9
70.38346	1.8
71.04968	3.3
72.59149	0.8
77.03898	1.5
78.04713	1.3
79.05481	16.8
81.03389	0.8
81.07036	6.3
83.01338	0.8
83.04922	0.9
83.08604	1.4
85.06504	1.7
88.67032	0.7
89.03873	1.4
90.04662	5.8
91.04921	1.2
91.05471	20.8
92.06246	2.2
93.03334	0.8
93.06592	0.8
93.07040	8.3
95.04491	0.8
95.04952	10.3
95.08594	6.9
97.06477	2.0
98.21391	0.9
99.04519	0.9
102.04673	5.5
103.05454	80.7
105.03388	8.9
105.04481	1.4
105.07018	33.0
107.04227	1.9
107.04940	32.8
107.07904	1.1
107.08582	13.9
109.06496	7.4
109.10139	14.4
115.05451	9.3
116.06218	1.1
117.03329	0.9
117.07013	6.8
118.04154	17.7
119.04929	11.2
119.08572	4.2
120.05720	6.0
121.02851	1.0
121.06527	5.0
121.10124	10.1
123.04398	3.2
123.08043	4.0
128.06248	0.7
129.06966	1.8
130.04106	8.8
130.07758	1.3
131.04915	40.0
131.08531	10.6
132.05707	8.1
133.02838	14.9
133.06485	11.3
133.10109	9.1
134.03586	0.9
135.04416	1.0
135.08032	34.5
135.11649	5.0
143.08440	1.0
145.02829	1.9
145.06476	9.5
145.10100	7.6
146.03610	8.3
146.05945	1.6
147.04387	8.3
147.07964	0.9
147.11603	3.1
148.05170	47.7
148.08717	1.0
149.05933	3.5
149.09579	3.5
149.13246	3.0
158.07251	0.9
158.10904	1.6
159.04396	1.1
161.05974	4.0
161.09517	1.1
162.06755	2.1
163.07524	100.0
163.11096	3.9
164.07849	1.9
173.05927	3.2
173.07240	1.0
173.09590	3.8
173.13234	9.5
176.04663	9.3
176.08324	1.6
186.03050	0.8
191.03421	9.2
191.06981	49.9
191.10619	17.2
191.14281	20.7
191.17908	3.2
192.06741	0.9
192.10150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.07
Annotation	Oospolactone
Peak:m/z	Relative Intensity
50.01579	1.1
51.02375	0.9
53.03924	3.2
55.01862	1.8
59.43709	0.8
66.04691	2.1
67.05485	3.4
68.99783	1.6
69.03381	1.0
69.07062	1.8
70.10085	5.0
71.04973	1.6
77.03910	1.7
78.04713	1.1
79.05479	12.0
80.06284	0.9
81.07037	2.5
83.04951	1.2
83.08598	1.0
89.03913	1.9
90.04677	5.0
90.05137	0.8
91.05466	15.9
92.06227	2.0
93.03391	0.9
93.07022	3.9
95.04961	8.6
95.08585	3.8
97.06500	1.0
98.21375	1.0
102.04680	5.8
103.05453	78.9
105.03388	8.9
105.04483	1.2
105.07013	23.3
106.04155	1.1
107.04940	30.5
107.08585	5.7
109.06504	3.0
109.10155	5.6
115.05439	10.6
117.03357	0.9
117.07021	4.2
118.04147	17.8
119.04948	9.4
119.08560	2.1
120.05700	5.9
121.06490	2.0
121.10135	5.0
123.04420	2.9
123.08045	1.3
130.04129	10.0
131.04910	38.8
131.08549	5.5
132.05688	9.8
133.01888	1.1
133.02844	14.9
133.06487	10.8
133.10127	3.4
135.04289	1.5
135.08035	23.8
135.11615	1.2
145.02806	1.7
145.06476	7.4
145.10101	2.7
146.03624	10.0
147.04396	6.0
147.11623	1.1
148.05168	43.8
149.05632	1.1
149.09579	2.1
149.13199	1.6
151.07510	0.9
158.10924	1.2
158.89761	0.9
159.04385	1.3
161.05952	2.5
162.06709	1.4
163.07520	100.0
164.07802	2.2
173.05917	2.8
173.13243	4.4
176.04671	8.3
191.03435	4.3
191.07002	45.3
191.10638	3.0
191.14284	11.2
192.04005	0.9
212.95184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0701
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
53.03955	2.3
55.01876	3.6
55.05508	2.0
57.03445	0.9
61.20019	0.9
65.03947	1.7
66.04719	1.6
67.05505	2.4
67.70945	0.7
68.99800	2.8
69.03426	1.3
69.07077	4.8
69.52824	6.0
71.04981	1.2
71.22567	0.7
75.62828	0.7
78.04728	1.2
79.05488	12.6
81.03424	0.8
81.07072	2.9
83.04978	1.1
85.02928	0.9
89.03925	1.8
90.04667	3.7
90.09320	0.8
91.05470	15.5
92.06258	1.5
93.07042	8.0
94.04140	0.8
95.04962	7.0
95.08589	7.0
97.06527	0.9
102.04673	5.5
103.05459	77.8
104.05767	1.0
105.03398	9.2
105.07021	24.3
105.07715	1.5
106.04202	0.9
106.07420	0.8
107.04947	32.0
107.08588	9.2
109.06509	3.3
109.10156	3.2
115.05451	9.1
117.03358	0.9
117.07003	6.1
118.04151	18.1
119.04932	8.7
119.08582	2.4
120.05727	4.5
121.06501	5.2
121.10134	6.2
121.15398	0.8
123.04438	2.8
123.08065	2.2
126.50452	0.7
129.06999	0.9
130.04155	9.7
131.04921	41.2
131.08546	6.5
132.05754	7.4
133.02844	14.7
133.06479	11.0
133.10129	8.7
134.03627	0.8
135.04430	2.3
135.08037	24.7
135.11642	3.5
143.08591	1.3
145.02805	1.8
145.06470	10.9
145.10120	4.6
146.03598	9.1
146.06027	1.3
147.04431	5.9
147.08049	1.2
147.11684	5.2
148.05171	48.1
149.05925	2.3
149.09601	3.1
149.13202	2.8
158.10793	1.4
159.04465	1.2
161.05939	3.7
161.09634	2.0
162.06761	2.5
163.07529	100.0
163.14806	1.0
164.07898	1.7
173.05931	2.9
173.09654	2.1
173.13245	7.8
176.04680	8.8
176.11967	0.7
188.86461	0.7
191.03419	7.0
191.07008	51.1
191.10617	4.6
191.14297	30.2
191.17934	2.2
192.06477	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0496
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
66.59884	0.2
70.91483	0.2
70.91830	0.5
73.02667	0.2
89.03895	1.2
116.04960	3.0
117.03359	0.2
127.29344	0.2
130.06503	0.5
134.06007	0.4
144.04469	0.5
162.05478	100.0
163.05850	2.4
173.71803	0.2
190.04967	31.5
191.05278	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1636
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
51.91407	0.9
53.03934	1.2
55.05497	12.4
56.96542	1.0
57.07058	2.6
65.03899	1.0
67.05499	9.9
69.03412	3.3
69.07064	17.9
69.57547	0.8
71.74145	0.9
79.05479	6.8
81.03417	0.9
81.07051	17.9
83.04964	1.2
83.08602	6.9
84.04501	1.6
85.02874	1.4
85.04811	1.9
87.04459	1.1
91.05468	21.7
93.07027	8.8
95.04955	2.1
95.08596	41.1
97.83466	0.8
103.05463	1.7
105.03408	1.3
105.07022	50.6
106.07343	1.1
107.08579	21.5
109.06497	1.3
109.10129	8.3
115.05432	3.8
117.06996	6.3
118.07816	0.9
119.04988	1.2
119.08568	100.0
119.49437	0.8
120.08929	1.2
121.06493	1.1
121.10141	10.9
128.06227	5.7
129.06998	3.2
130.07750	2.7
131.08542	11.3
132.09393	0.9
133.06474	2.9
133.10115	81.0
134.10710	1.1
135.11638	1.0
143.08545	9.0
145.10110	13.2
146.10866	5.3
147.08028	3.8
147.11667	54.0
148.12015	1.3
149.02316	1.4
155.08589	0.9
156.09320	7.8
159.07985	2.3
159.11729	5.1
160.05191	6.7
160.12457	2.9
161.05943	10.1
161.09637	3.0
161.13249	11.7
169.08820	0.8
171.07988	1.7
171.11662	6.4
174.06702	1.4
174.10396	2.8
174.14023	1.6
189.05452	3.9
189.09108	16.5
189.12723	18.3
189.16365	99.9
190.05043	1.3
190.08708	1.6
190.16721	2.4
205.70027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01850	5.6
55.05487	6.7
57.03421	2.4
59.04979	2.8
67.05492	6.0
69.03409	8.0
69.07039	5.1
70.78549	6.9
71.04954	2.2
79.05470	8.4
80.19545	2.0
81.03393	7.6
81.07030	11.3
83.04949	4.7
84.04476	3.5
85.02874	9.7
91.04916	3.7
91.05462	58.6
93.07012	8.4
95.04957	25.0
95.08609	10.6
103.05449	5.4
105.07014	52.8
107.04914	5.1
107.08570	15.5
109.06491	9.0
115.05422	17.8
116.06197	6.4
117.07005	19.4
119.04915	15.1
119.08569	81.9
121.06420	4.1
121.10085	4.7
128.06192	19.9
129.06995	23.2
130.06447	5.4
130.07712	6.4
131.04936	3.0
131.08545	69.9
131.99031	2.3
132.08908	2.8
133.06506	11.7
133.10110	27.8
135.07906	2.3
141.06952	7.0
143.04883	10.1
143.08533	32.9
145.06482	7.0
145.10094	20.7
146.07181	7.3
147.04358	3.2
147.08031	70.3
147.11661	23.9
148.08510	3.7
149.02345	5.1
149.09435	3.3
155.08502	2.4
156.09326	46.4
157.06451	4.9
159.08025	10.2
159.11671	7.4
160.05212	17.1
160.08762	5.7
161.02338	2.4
161.05957	43.8
161.09602	24.7
161.13239	9.9
162.05344	2.4
171.04314	4.3
171.08000	7.3
171.11667	55.9
174.06729	10.2
174.10374	17.2
189.05409	24.7
189.07243	3.8
189.09071	49.2
189.10973	5.5
189.12695	100.0
189.16307	22.0
190.04930	4.6
190.08611	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12238	0.5
53.03940	0.7
55.01867	1.0
55.05504	3.3
57.03416	0.9
60.83158	0.5
65.03912	1.1
67.05508	3.6
69.03410	2.3
69.07047	2.3
69.73440	3.9
79.05059	0.8
79.05482	5.8
81.03385	0.5
81.07056	4.8
83.04960	1.1
83.08598	0.6
84.04469	0.8
85.04847	0.8
91.05470	13.2
93.07053	4.1
95.04966	4.2
95.08582	2.2
103.05429	1.7
105.03365	0.5
105.04483	0.7
105.07024	24.9
107.04964	1.2
107.08595	4.3
109.06503	6.8
109.10133	0.6
114.47800	0.5
115.05418	4.0
116.06230	0.8
117.07015	5.7
119.08571	31.7
120.08882	1.1
121.06506	3.0
121.10118	2.4
123.08017	0.7
128.06203	5.9
129.07010	4.8
130.07808	2.8
131.08557	16.3
132.89478	0.6
133.06480	4.4
133.09158	1.0
133.10123	14.1
135.08041	1.6
141.06990	3.6
142.07784	1.1
143.08539	11.2
145.06459	2.7
145.10112	12.8
146.07240	1.4
146.10931	5.3
147.04323	0.7
147.08037	12.1
147.11673	33.2
148.11986	1.0
149.02332	1.5
155.08531	0.8
156.09334	17.3
159.08044	22.4
159.11652	2.0
160.05174	4.2
160.08786	2.4
161.05963	8.1
161.09625	5.1
161.13225	6.8
166.09140	1.1
171.08006	1.5
171.11670	16.9
173.09587	3.9
174.06807	0.9
174.10388	23.8
175.10837	1.1
179.68719	0.6
189.05414	2.1
189.09161	8.9
189.12724	100.0
190.04930	0.6
190.08583	0.7
190.13246	2.7
208.10727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.4
69.03412	4.5
69.07024	1.1
69.79328	6.9
79.05459	2.3
82.32484	0.9
83.04980	0.9
91.05463	7.2
93.07002	1.3
103.05435	1.0
105.07018	15.8
106.07323	1.1
107.08575	2.4
109.06474	1.2
115.05435	2.7
116.06246	0.9
117.06982	4.5
119.08553	19.5
121.10137	1.1
128.06190	5.3
129.07008	5.9
130.07742	5.9
131.08531	8.5
133.06447	2.6
133.10092	5.7
141.06975	11.4
142.07813	1.3
143.08542	9.0
144.09300	3.2
145.06480	2.0
145.10101	20.9
147.08018	10.3
147.11659	13.4
155.08546	3.9
156.09315	57.5
157.09706	1.9
159.08043	6.9
159.11673	16.8
160.08830	1.3
161.05972	1.9
161.09569	3.2
161.13219	3.5
171.11665	74.7
172.12036	2.8
174.10388	11.4
189.05443	1.9
189.09117	3.8
189.12720	100.0
190.13043	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10606	0.6
51.02359	0.7
52.12300	0.6
53.03931	1.2
55.01859	1.3
55.05488	2.4
57.07076	0.6
59.04982	1.8
59.24392	0.7
67.05476	2.3
69.03418	2.9
69.07034	1.8
70.13744	0.6
71.74497	0.9
73.89907	0.6
77.03942	0.6
78.61722	0.5
78.74802	0.7
79.05488	4.5
81.03394	2.4
81.07044	3.2
83.04971	2.1
85.02893	1.4
85.04801	0.6
91.05470	28.9
92.05792	0.8
93.07032	4.8
95.04957	12.5
95.08575	1.4
96.32359	0.6
97.06477	0.6
99.15637	0.6
101.46455	0.7
103.05441	2.7
105.03371	0.8
105.07023	32.6
107.04942	2.3
107.08577	10.0
109.06511	7.0
115.05443	8.4
116.06242	3.1
117.07007	9.8
119.04928	2.4
119.08571	74.6
120.08865	1.5
121.06492	1.6
121.10080	1.2
123.08079	1.0
127.98586	0.6
128.06218	7.6
129.06995	12.5
130.07788	7.8
131.08559	37.6
132.05740	1.4
132.09070	0.9
133.06483	9.6
133.10126	9.2
135.08038	1.2
141.06995	7.3
142.07733	2.3
143.04892	1.3
143.08553	16.1
144.09267	1.0
145.06509	3.8
145.10112	49.2
146.07233	3.0
146.10916	4.6
147.04405	1.2
147.08037	31.8
147.11671	47.4
148.08510	1.0
148.12000	1.0
155.08548	2.6
156.09329	45.4
157.06502	0.9
157.09674	1.6
159.08043	8.8
159.11682	5.8
160.03865	1.0
160.05186	20.8
160.08791	3.9
161.05975	30.6
161.09567	6.0
161.13219	6.3
171.04321	1.0
171.08034	1.9
171.11673	50.5
172.11984	2.0
173.09576	0.7
174.06688	1.9
174.10391	11.5
189.05469	4.4
189.09129	20.2
189.12723	100.0
190.13098	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87829	1.7
56.40713	1.8
57.07066	2.4
58.17271	1.9
69.03417	9.4
70.99681	6.0
79.05490	2.4
91.05470	4.9
99.83001	1.7
103.05425	2.9
105.07011	14.8
107.08573	3.2
107.14154	1.9
110.99290	1.7
115.05438	5.1
117.06992	6.5
119.08549	20.7
128.06284	1.9
129.06985	6.7
130.07771	6.4
131.08592	4.3
133.06525	3.2
133.10098	6.3
141.06949	13.0
143.04910	3.0
143.08524	8.5
144.09357	2.3
145.10109	19.1
147.08038	6.5
147.11647	10.6
155.08559	4.3
156.09331	80.6
159.08023	8.3
159.11684	17.3
160.08784	3.2
161.06081	2.7
161.13229	2.1
171.04417	4.4
171.05876	2.0
171.11670	87.9
174.10359	7.7
189.05481	3.4
189.09135	3.8
189.12724	100.0
190.12970	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0907
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.02403	0.4
54.91451	0.3
55.01860	0.4
55.05498	0.7
59.04987	0.5
67.05490	0.6
68.99809	0.4
69.03425	0.8
69.07043	0.6
71.74114	0.4
71.74470	0.6
79.05475	1.4
81.03408	1.1
81.07056	1.9
83.04932	0.4
85.02882	1.2
91.05465	13.4
93.07040	1.2
95.04949	4.0
95.08599	1.3
96.63580	0.5
103.05457	2.1
105.03371	0.9
105.07017	8.6
107.04951	0.5
107.08562	1.9
108.65757	0.4
109.06491	1.1
115.05439	7.8
116.06207	1.6
117.06982	2.7
118.07771	0.8
119.04924	1.0
119.08562	14.5
119.09406	0.8
121.06509	0.7
121.10129	0.7
128.06204	20.4
129.06985	56.8
130.07816	2.4
131.04901	6.2
131.08548	21.4
132.05653	0.5
133.06461	2.6
133.10120	4.5
141.06963	1.8
142.07767	0.4
143.04907	6.3
143.08542	6.5
144.05658	1.3
145.06464	6.2
145.10100	4.1
146.03595	0.7
146.07245	7.0
147.04384	0.8
147.06281	0.4
147.08029	10.1
147.11662	6.6
148.08716	0.5
149.02448	0.4
155.06039	2.2
156.09335	8.2
157.06473	23.0
158.07251	11.3
159.04385	4.9
159.08025	2.8
159.11633	1.0
160.05157	2.4
160.08804	1.3
161.05966	9.8
161.09593	6.3
161.13228	1.0
171.04382	0.9
171.08153	0.8
171.11662	8.8
173.06000	1.5
174.06741	78.3
174.10287	2.0
175.07152	1.6
189.05487	9.8
189.09079	100.0
189.12671	17.6
189.16295	2.1
190.09583	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01875	0.6
55.05511	0.8
59.04983	0.4
63.02373	0.4
65.03935	0.7
67.05501	1.2
68.46111	0.3
68.89063	0.3
68.99793	0.7
69.03414	1.1
69.07064	0.9
71.14165	0.5
71.14506	0.6
77.03909	0.4
79.05499	1.8
81.03407	2.0
81.07054	1.4
83.04979	0.7
84.04527	0.5
85.02903	1.0
85.04830	0.4
87.53467	0.3
90.48562	0.3
91.05469	12.8
93.07046	1.4
95.04957	4.0
95.08622	0.9
103.05447	2.2
103.15921	0.3
105.03388	0.5
105.07021	9.6
107.04935	0.6
107.08588	1.9
109.06493	1.0
115.05449	7.1
116.06218	1.6
117.07008	3.5
118.07794	0.6
119.04928	1.6
119.08569	14.2
121.06521	0.7
121.10155	0.7
123.95242	0.4
127.05396	0.5
128.06209	18.4
129.06992	52.2
130.07848	2.5
131.04907	5.5
131.08556	22.0
132.05727	0.5
133.06496	2.8
133.10114	4.1
141.06993	1.5
142.07738	0.7
143.04916	6.3
143.08543	5.0
144.05673	0.8
145.06474	5.0
145.10130	3.6
146.03622	0.6
146.07251	6.5
147.04428	0.9
147.06339	0.5
147.08031	10.0
147.11682	6.0
147.26285	0.3
148.08614	0.5
155.06052	1.7
156.05672	0.6
156.09344	6.8
157.06473	21.9
158.07268	10.1
159.04385	4.7
159.08047	3.2
159.11694	1.1
160.05179	1.3
160.08829	0.8
161.05949	8.4
161.09619	5.9
161.13287	1.0
171.04382	1.1
171.08038	1.0
171.11679	8.0
172.12103	0.4
173.05997	1.3
173.80380	0.4
174.06746	73.0
174.10367	1.9
175.07144	1.9
189.05519	10.7
189.09088	100.0
189.12665	16.5
189.16261	2.2
190.09416	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64284	0.4
68.36579	0.5
71.23907	0.9
71.24259	0.6
72.72951	0.4
72.73363	0.5
81.03442	0.5
83.17631	0.4
84.04509	2.2
91.05483	3.9
103.05465	0.9
115.05449	5.1
117.05723	1.3
117.07024	3.9
118.06535	65.2
119.06854	0.9
132.08122	0.8
133.97081	0.4
142.06522	5.5
143.07301	10.4
144.04463	0.7
144.08081	24.2
144.73003	0.4
145.06526	0.5
146.06000	100.0
147.06317	1.8
154.27592	0.4
155.05948	0.5
160.07544	0.9
170.06015	8.6
188.07065	20.5
192.31314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0392
Annotation	(E)-3-(Methoxycarbonyl)pent-2-enedioate
Peak:m/z	Relative Intensity
55.01867	63.2
55.05495	3.9
55.74403	2.1
56.96563	6.0
57.03432	74.2
59.05001	9.9
60.08158	10.3
61.02929	10.6
62.67846	1.9
67.05476	3.2
68.99791	6.9
69.03429	7.6
70.06592	3.6
71.01351	29.7
71.04980	7.6
71.73500	3.5
72.08150	22.7
73.02916	30.9
73.12737	2.1
75.04460	4.0
79.05454	2.0
79.92084	2.0
82.93182	2.3
83.01346	17.3
83.04969	2.9
84.04500	5.0
84.08140	40.4
84.99261	2.9
85.02902	14.2
85.04817	3.8
85.90612	2.1
87.00823	3.1
87.04460	48.5
89.02375	8.9
91.05475	2.9
92.77598	2.1
95.01309	10.8
99.04423	3.3
100.07610	4.5
101.02370	100.0
103.03926	12.0
105.07026	7.3
111.00806	15.9
113.02383	8.8
113.57709	2.3
115.03099	4.7
115.03917	99.4
115.05360	3.5
117.07018	3.2
118.08588	2.5
119.01913	14.4
119.08576	3.1
121.01672	6.2
121.03514	3.5
126.09166	5.4
127.00274	5.9
127.03912	3.5
128.06224	4.2
129.01834	36.0
129.07005	2.1
130.08618	12.3
131.01891	4.1
131.03458	3.6
133.03458	4.9
133.10114	2.1
137.02937	5.3
139.00282	9.5
143.03432	7.3
143.08540	8.6
145.03465	3.2
146.99654	4.4
147.01346	2.4
156.09348	2.8
157.01315	88.3
159.02858	5.1
161.02963	5.3
161.09637	3.5
171.02806	2.5
171.11694	6.4
174.10460	2.3
175.02365	12.1
185.02971	5.9
189.02487	4.5
189.03961	5.1
189.05580	6.1
189.09137	6.1
189.12848	7.9
189.16013	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0704
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
59.93242	0.3
60.31127	0.3
62.52501	0.3
70.91563	0.7
84.04490	1.0
88.36636	0.3
91.05463	5.0
92.09358	0.3
103.05439	0.8
110.72062	0.4
115.05434	6.2
117.05755	1.9
117.06998	5.4
118.06525	76.3
119.06871	1.2
128.04918	0.5
128.79538	0.3
132.08078	0.9
142.06514	7.2
143.07291	12.6
144.04384	0.7
144.08067	25.5
145.06456	0.9
145.08386	0.9
146.05984	100.0
147.06314	2.0
155.06042	0.8
160.07558	1.0
170.05984	10.4
188.07051	16.6
189.07431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1478
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03931	0.4
55.05494	0.8
56.05005	0.4
57.07064	3.8
57.67229	0.3
60.77722	0.3
61.02921	0.5
67.05506	1.6
69.03418	0.9
71.04996	0.4
71.74771	0.3
71.75265	0.4
79.05480	1.8
81.03422	1.5
81.07050	3.4
82.07307	0.3
83.04965	0.5
83.08608	0.8
84.04503	2.2
85.02893	1.1
88.02196	2.4
91.05466	5.0
93.07024	0.6
95.04950	1.1
95.08578	0.5
97.02876	0.4
99.04444	0.6
103.05473	0.8
105.03384	0.5
105.07014	11.0
105.94285	0.3
107.08586	0.7
109.02873	0.4
115.05418	1.4
116.06229	0.6
117.07002	7.8
117.54649	0.3
119.08570	9.2
128.06192	3.6
128.07059	0.6
129.06996	5.6
130.07780	6.6
131.04880	0.6
131.08557	10.9
132.08839	0.4
133.10092	2.5
141.06931	1.9
142.07759	0.8
143.08548	9.7
144.09343	4.4
145.06450	1.2
145.10103	100.0
146.10432	3.1
153.06944	0.8
154.07777	3.5
157.06461	0.6
157.10106	7.5
158.07213	0.6
158.10887	5.2
159.06898	0.7
159.08049	1.5
159.11676	14.7
160.09691	0.3
160.11943	0.7
167.08588	0.4
169.06288	0.3
169.10129	5.6
169.95193	0.4
170.10803	0.7
171.11708	0.4
172.08812	4.7
172.12453	7.1
173.00781	0.7
177.11043	0.3
185.13208	0.6
187.07474	1.3
187.11182	18.4
187.14792	56.7
188.11504	0.9
188.15117	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.1
55.01859	4.4
55.05511	16.9
56.05018	3.1
56.96550	5.6
57.03418	6.5
57.07065	17.2
57.09875	2.2
59.06112	5.4
60.04504	2.5
61.02907	3.0
65.17406	1.9
67.05495	58.3
68.05048	2.2
69.03419	18.1
69.07042	6.9
70.06571	6.3
70.82615	2.0
71.04610	3.3
71.04982	55.7
72.05299	2.5
72.08151	20.3
72.93774	4.5
79.05482	14.8
81.03403	18.7
81.07045	41.3
82.06557	9.3
83.04967	7.9
83.08604	6.0
84.04485	40.8
84.08131	12.6
85.02898	16.4
85.06533	80.0
86.09698	4.3
87.04443	3.5
88.02208	13.7
90.94841	2.4
91.05467	42.2
93.07036	10.5
95.04930	4.6
95.08605	4.8
96.08097	3.4
97.02860	5.4
97.06544	3.7
97.07669	3.5
99.04441	5.4
101.05982	2.6
103.05446	6.4
104.04018	2.6
105.03394	2.8
105.07022	44.0
107.08575	33.5
109.02864	6.2
109.06510	5.9
109.10143	36.7
114.05566	3.5
115.05400	6.3
116.06232	3.8
117.03392	2.6
117.06990	10.7
119.08537	4.4
123.08011	3.6
123.11652	6.7
124.07607	3.5
126.05560	2.3
127.03871	4.5
127.05846	3.1
127.07504	2.7
127.08654	5.3
128.06206	8.3
128.07077	7.3
129.06989	14.9
131.04901	9.7
131.08548	30.4
133.10110	55.1
141.06932	13.6
142.08611	9.5
143.08556	9.3
144.05688	39.6
144.09363	5.2
145.06435	6.8
145.10126	11.8
146.06021	2.2
151.11169	26.3
154.07759	7.4
157.10104	3.1
159.04376	3.7
159.06917	4.9
159.08060	19.1
159.11673	17.9
163.97787	2.6
169.06445	6.3
169.10066	9.7
169.12253	6.2
172.05132	23.3
172.06451	3.0
172.08820	6.5
173.00763	6.4
180.28819	2.3
182.72556	2.2
187.03871	5.7
187.07509	100.0
187.11130	58.6
187.12511	2.3
187.14799	7.4
188.09177	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.6
54.60397	0.7
55.01860	1.4
55.05493	1.5
57.07064	1.5
65.03939	1.3
67.05180	0.8
67.05505	7.2
69.03405	3.0
71.04976	0.8
79.05488	7.3
81.03400	6.5
81.07032	5.0
83.08607	1.9
84.04491	3.5
85.02877	2.4
87.04449	1.0
88.02194	6.0
91.05463	13.8
93.07024	3.0
95.04952	6.2
95.08582	1.8
97.02853	0.9
103.05437	1.6
104.04040	0.8
105.07017	29.0
107.08567	1.7
109.02859	1.8
115.05374	4.9
116.06215	2.8
117.07008	20.0
119.08569	20.1
128.06216	6.9
129.06990	19.1
130.07779	11.3
131.04890	1.1
131.08551	41.3
132.08913	1.0
133.10092	2.7
141.06943	6.2
142.07742	11.8
143.08551	15.9
144.05751	2.0
144.09320	20.4
145.06482	5.7
145.10106	100.0
146.10419	1.9
153.06958	2.1
154.07770	10.2
157.06474	2.3
157.10106	18.2
158.07246	2.6
158.10913	5.2
159.07008	1.2
159.08043	6.9
159.11673	48.4
160.11958	1.2
161.58862	0.8
169.10103	9.9
170.10718	1.0
172.08827	6.5
172.12514	6.1
173.00798	1.2
187.03833	1.5
187.07603	3.2
187.11165	45.8
187.14789	46.6
188.03415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1323
Annotation	Chamazulene
Peak:m/z	Relative Intensity
53.03918	0.6
55.05497	3.7
57.07058	1.0
58.76224	0.5
67.05498	1.4
69.03413	0.7
69.07071	3.4
70.06564	0.7
79.05480	4.9
81.07043	1.3
83.04936	0.9
84.04485	1.0
85.02892	1.4
91.05465	10.4
93.07016	2.9
95.04939	1.6
98.33375	0.5
103.05453	1.0
105.07018	7.5
107.08587	1.7
114.05498	1.5
115.05437	5.5
117.07005	4.2
117.45686	0.6
119.08559	4.6
122.06009	0.8
125.05999	0.7
126.05484	2.1
128.06206	27.4
129.06989	47.8
130.07307	1.1
131.08554	4.5
138.98921	1.0
140.07031	1.1
141.06960	10.5
142.07762	16.8
143.08539	55.0
144.09325	3.4
144.10252	0.7
145.06421	1.9
145.10112	0.9
155.06006	1.9
155.08537	8.0
156.09329	15.1
157.10103	29.6
158.10435	0.7
158.28804	0.5
167.07057	0.6
168.09332	0.6
169.10117	0.9
170.10860	9.5
181.02725	0.6
183.11665	1.3
185.09669	2.2
185.13223	100.0
186.07596	2.0
186.09084	1.1
186.13562	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1172
Annotation	trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acid
Peak:m/z	Relative Intensity
53.03941	1.7
55.01859	2.3
55.05501	8.7
55.74106	0.6
56.89889	0.6
56.96551	1.4
57.03423	2.1
57.07059	1.4
59.04982	1.5
59.06099	0.9
67.05496	18.7
69.03412	3.6
69.07059	100.0
69.82413	3.9
70.06576	2.0
70.07399	1.1
71.04981	28.8
72.08135	1.8
73.06547	14.0
79.05484	23.9
80.05030	1.4
81.03410	3.4
81.07045	51.3
82.07419	1.0
83.04974	5.3
83.06085	1.0
83.08618	1.3
84.04496	1.7
84.08146	0.8
85.02893	3.8
85.06538	1.7
86.06052	0.9
86.09696	2.5
87.04465	8.5
91.05473	2.5
91.80942	0.8
93.07033	19.3
95.04964	2.2
95.08597	14.5
97.02863	1.3
97.06519	23.6
97.07587	0.9
97.10162	0.9
98.06078	1.1
98.97585	0.9
99.04462	0.8
99.05601	0.7
99.08070	3.5
101.06015	2.7
103.05434	0.7
105.07027	2.6
107.04968	0.9
107.08591	6.2
109.02889	0.7
109.06526	0.7
109.07675	0.7
109.10155	1.3
111.04450	2.8
111.08077	0.9
113.06025	0.7
114.05501	4.1
115.07563	5.4
119.01957	1.1
119.08553	1.1
121.00822	0.8
121.06538	1.9
121.10130	21.1
122.09653	0.9
122.10509	0.6
123.08049	20.1
123.11703	3.3
125.02441	0.8
125.05997	5.9
125.09667	1.7
126.05510	2.4
127.03905	0.9
127.08657	1.0
128.06252	4.6
129.07007	4.7
131.04945	0.9
131.08580	2.8
134.99649	0.7
138.98927	0.9
139.01836	1.7
139.03920	1.3
139.07553	1.4
139.11159	30.3
140.07066	1.0
140.10707	2.3
140.11641	0.6
141.06990	1.6
142.02580	0.9
142.07750	4.7
143.07025	17.3
143.08475	4.6
149.09586	3.0
149.13263	0.6
155.08499	1.7
156.09390	1.3
157.05055	1.4
157.06514	3.4
157.10109	4.7
158.08185	0.7
161.08145	0.7
163.01834	2.1
167.07059	1.4
167.10657	16.9
167.11983	1.1
168.07771	1.1
168.11362	1.1
170.10931	2.5
181.02841	3.3
185.04434	1.7
185.06017	3.6
185.09683	2.8
185.11751	18.6
185.13295	6.3
185.15335	0.6
186.05673	0.6
186.07611	2.2
186.11256	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0966
Annotation	N-(cyclohex-1-en-1-ylcarbonyl)glycine
Peak:m/z	Relative Intensity
55.01863	1.4
55.05496	9.4
56.05031	5.2
56.96537	2.0
57.03400	1.1
58.06585	1.4
59.06118	0.8
60.08143	1.2
67.05496	12.1
68.05002	2.7
69.03402	2.4
69.07053	13.5
70.06597	4.1
71.04422	1.2
71.04731	1.4
71.04993	1.5
72.08124	2.7
72.93743	0.7
73.02873	1.7
74.02428	47.6
79.05457	1.6
80.04984	1.8
81.03378	1.1
81.07033	5.5
82.02927	39.6
82.06563	8.8
83.04950	1.6
83.06080	1.7
83.08606	9.7
84.04488	6.7
84.08113	2.8
85.02884	2.2
85.06529	1.0
86.06049	1.5
86.09694	6.9
91.05450	3.3
93.07027	15.4
94.06538	1.3
95.04939	2.6
95.08591	56.3
96.04472	20.7
96.05182	1.8
96.08099	5.2
96.08920	1.7
97.02857	2.0
97.06522	1.5
97.07648	2.2
98.06041	2.0
98.09663	2.1
98.98413	1.6
100.03938	3.9
100.07646	0.9
101.00848	4.0
101.95013	2.9
105.03362	1.7
106.03683	1.7
107.06084	0.8
108.08069	2.3
109.06490	1.8
109.07585	2.5
110.05329	1.1
110.06027	13.9
110.09653	21.3
111.04439	1.1
111.05550	1.0
111.08070	2.1
112.11228	11.7
114.05550	1.1
116.98553	1.2
118.22377	0.8
119.01074	1.5
119.01904	26.2
119.96062	2.0
120.01972	2.4
120.08072	6.1
121.01630	0.9
121.06476	6.7
121.07265	0.8
123.05516	1.1
124.03949	1.0
124.04823	1.4
124.07599	1.3
124.99963	4.5
125.07047	1.1
126.05501	0.9
127.16954	0.8
128.03435	1.9
128.06242	1.4
128.07056	11.3
137.02943	12.5
137.97070	0.9
138.09117	100.0
139.09448	1.4
140.10678	1.2
142.03473	6.5
142.04958	3.1
142.08594	3.2
143.03613	1.4
155.98125	1.0
156.08911	1.3
156.10175	11.5
160.04501	2.7
161.02887	3.4
161.04642	1.0
166.08597	2.8
166.09818	1.1
167.06914	1.2
179.03949	3.7
184.07439	2.9
184.09645	81.7
185.09975	1.2
185.13037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0728
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05007	1.7
58.06590	0.8
60.08157	20.9
64.43054	0.8
69.07057	0.8
69.12564	0.8
70.06566	1.2
71.07365	12.1
71.74930	1.1
77.28723	0.9
84.04513	1.0
86.09696	100.0
87.10011	1.3
98.98456	17.2
101.95010	7.7
102.10240	0.8
103.71094	0.9
104.10750	5.0
106.03706	1.7
119.96057	3.2
124.99987	78.6
128.06180	1.3
129.06973	1.0
134.78166	0.9
137.97142	5.5
138.09090	0.8
142.07550	0.8
143.01077	1.2
143.08499	1.5
155.98155	2.9
157.10222	1.5
160.98674	1.5
169.09804	1.4
178.99652	1.1
184.07332	94.5
184.12129	2.3
185.07654	1.7
185.13197	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0727
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05027	1.3
58.06610	0.9
59.07381	0.4
60.08153	20.5
61.78565	0.3
69.77863	0.3
70.06580	0.4
71.07362	12.1
76.69972	0.3
86.09693	100.0
87.10031	1.6
98.21564	0.5
98.98451	18.5
101.95029	1.9
104.10721	4.5
106.03732	0.4
116.99491	0.5
119.96056	1.1
124.99983	80.4
126.00329	0.9
137.97118	0.9
140.01070	0.3
143.01021	1.0
144.53416	0.3
166.02625	0.6
167.08949	0.3
184.07317	94.3
185.07639	1.5
191.89432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03135	0.5
52.08440	0.2
53.03916	0.8
53.45369	0.2
55.01855	0.6
55.05500	0.4
61.01098	0.3
64.10173	0.2
65.03934	2.8
66.75172	0.2
67.05194	0.2
67.05494	1.9
68.99770	0.3
69.03410	0.6
69.62792	0.4
69.63200	1.6
72.25175	0.2
74.64054	0.2
80.02629	2.2
81.03411	6.1
81.07039	0.6
83.01318	0.4
83.04955	0.6
85.17477	0.2
86.09664	0.2
93.03393	3.3
95.01619	0.3
95.04958	10.2
96.02081	0.4
96.05295	0.3
97.02864	0.9
98.03665	0.5
101.94998	1.4
108.02071	0.8
109.02872	4.6
111.04453	0.5
113.05988	0.8
119.96013	0.6
121.02047	0.4
121.02855	5.3
123.04418	28.9
124.04750	0.7
126.03120	11.7
127.03954	1.3
129.07008	0.6
137.02325	0.7
137.03418	0.3
137.97102	0.9
138.09082	0.3
139.03935	0.6
141.05453	14.6
142.05792	0.3
151.03889	7.6
151.04958	0.3
153.01752	0.6
154.02600	7.3
155.98102	0.3
157.06451	0.2
158.62885	0.2
161.09927	0.4
169.04947	100.0
170.02063	0.5
170.05295	3.4
184.07303	25.2
185.07623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.05509	0.3
56.05036	0.7
56.96566	2.5
57.03425	1.6
58.06590	0.4
58.99863	0.3
61.01133	0.4
61.02913	1.2
69.03419	1.2
69.94675	1.3
70.03757	0.3
70.06585	0.8
72.08154	0.4
73.02921	1.3
80.05029	0.3
80.94965	0.4
81.03406	0.4
82.99847	1.0
83.04958	0.3
84.04498	0.4
84.08134	0.6
85.02895	1.4
86.03545	1.0
86.09711	0.7
86.99329	0.4
95.54722	0.3
97.02899	1.1
98.97585	1.4
100.02478	0.9
101.00873	15.6
102.00960	1.0
102.02263	0.8
103.00619	0.5
106.01152	0.3
110.05998	0.3
114.02982	0.5
115.00595	0.6
115.02396	1.3
116.98618	1.1
117.04009	1.5
118.03506	1.7
119.01911	100.0
120.01990	5.5
120.03313	0.6
121.01650	1.1
121.02411	0.4
121.97588	0.4
124.02464	1.1
125.00002	0.6
131.01862	1.4
132.01988	1.0
133.01628	4.5
133.03416	1.9
134.99673	0.6
135.03226	0.6
135.05028	0.8
136.04611	0.4
137.02946	36.3
138.03015	1.5
138.05435	0.4
139.02570	0.3
140.05591	0.3
142.03494	18.8
143.01897	1.6
143.03641	1.8
144.02042	0.7
144.03261	0.4
145.01587	0.5
145.03427	0.8
146.03564	0.4
146.99612	0.4
147.03210	0.3
151.02708	2.0
151.04726	0.4
155.01804	0.4
156.02022	0.5
156.03261	2.8
156.05168	0.6
157.01617	0.4
157.03502	1.2
158.06627	0.9
160.04556	6.4
160.96014	0.3
161.01501	0.4
161.02945	10.8
161.04503	1.4
162.03079	1.0
162.04292	0.5
163.02652	0.6
165.05049	0.5
166.04962	0.5
170.01152	0.4
173.03015	0.7
174.03061	0.9
174.04347	0.9
175.02747	0.8
175.04596	0.4
179.02286	0.9
179.03992	9.4
179.05469	0.5
180.04085	0.4
183.97647	0.5
184.02852	0.4
184.04501	3.0
184.05856	0.4
184.07393	0.7
184.09630	0.5
185.02974	0.9
185.04504	0.4
186.03119	0.5
187.02811	0.5
202.03806	0.8
202.05626	0.7
203.04012	0.6
204.04057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16006	0.4
58.39548	0.4
58.99251	0.4
59.99978	0.3
70.38858	0.7
70.39255	0.7
75.92078	0.4
82.99820	0.8
92.38669	0.4
92.57883	0.4
95.05964	0.4
97.69334	0.4
100.02451	0.5
101.00863	15.3
102.00976	0.4
119.01905	100.0
120.01972	3.4
121.02360	0.4
124.02430	1.9
137.02940	33.7
138.03064	1.4
141.14107	0.3
142.03487	26.1
143.01901	0.6
143.03612	2.5
160.04541	8.2
161.02945	9.1
161.04617	2.1
164.21558	0.4
165.05103	1.0
179.02408	0.7
179.03990	13.1
179.05447	0.7
180.04097	0.5
184.04518	1.0
202.05562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1166
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
53.03926	1.9
55.01854	0.8
55.05489	2.2
56.96544	0.9
59.06110	0.6
65.03930	1.0
67.05496	4.2
69.03420	0.9
69.07041	1.2
70.92593	1.0
71.04968	1.4
79.05473	2.9
81.03384	2.3
81.07043	3.6
83.04952	0.8
83.08590	0.7
84.99310	0.5
85.06509	1.1
91.05457	5.3
93.06990	1.1
94.47055	0.6
95.04954	10.4
95.08607	2.7
97.02857	0.8
97.06545	1.2
98.06013	0.6
98.98455	8.5
99.04438	1.3
101.95004	1.7
105.02664	0.7
105.03377	12.6
105.04465	1.0
105.07014	4.7
107.08518	0.6
109.02866	0.6
109.06499	1.8
109.10154	2.8
115.05441	3.4
117.07004	1.5
119.01829	0.6
119.08536	1.3
121.10094	0.9
123.04410	7.3
123.08027	2.4
123.11676	1.1
124.07571	0.7
124.08661	0.9
125.05969	1.8
125.06966	0.8
127.01545	1.6
127.03843	0.6
128.06232	3.2
129.06992	6.7
137.05945	1.2
137.09563	2.1
137.13237	1.0
137.97108	1.0
140.04643	2.1
141.06958	20.0
142.07768	11.3
143.08597	4.5
147.11623	0.8
152.06137	2.7
153.06969	34.1
154.07750	7.2
155.08528	68.5
156.08897	2.8
165.05525	1.2
165.06963	1.8
165.09058	1.7
165.12720	1.5
166.07701	1.4
167.08545	9.0
168.09320	68.1
169.04779	0.7
169.09676	1.9
181.10077	3.5
182.10846	0.7
183.06439	1.7
183.08090	5.1
183.11659	100.0
184.07454	0.8
184.11983	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1378
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
53.03942	9.8
55.01857	7.3
55.05505	16.7
56.05027	2.3
56.96551	2.2
57.03429	7.3
57.07064	23.7
57.90628	1.5
59.04996	17.8
59.06110	4.9
65.03941	3.4
67.05493	27.5
69.03411	5.2
69.07060	65.4
70.06581	2.6
71.00972	2.5
71.01344	46.5
71.04985	56.9
71.08623	7.0
71.74154	1.7
72.05318	1.7
74.69906	1.6
77.03889	1.7
79.05480	17.9
81.03415	11.4
81.07046	54.7
83.04963	4.2
83.06110	2.7
83.08609	33.3
84.08155	1.8
85.02888	3.1
85.06527	9.8
86.06023	2.3
91.05457	10.7
93.07042	9.0
95.04956	52.4
95.08598	37.2
96.04415	1.9
97.02873	4.4
97.06518	100.0
97.10194	2.9
98.06870	1.6
98.98453	24.9
99.04447	98.5
99.08072	3.1
101.06020	12.0
101.95017	7.4
105.03386	45.1
105.04468	3.5
105.07008	8.7
105.51993	1.5
107.08581	38.9
109.06500	16.0
109.10136	10.6
111.04423	4.9
111.08038	3.2
111.11710	18.9
113.05996	3.1
113.09644	7.5
115.07595	2.0
119.08579	7.5
119.96046	5.4
121.10128	19.9
123.04430	30.5
123.05389	2.6
123.08099	11.4
123.11692	53.0
124.08700	3.5
125.02257	1.6
125.06026	2.2
125.07094	4.7
125.09607	8.1
127.01567	4.1
127.07557	2.1
128.06212	2.8
129.06975	1.9
133.02832	3.1
137.05971	6.3
137.07974	1.9
137.09613	8.9
137.13237	21.8
137.97086	6.2
139.11142	2.4
140.04659	11.5
141.05482	3.1
141.06873	7.6
141.12675	7.2
142.07784	4.6
143.08621	2.2
147.08043	2.4
147.11647	9.2
153.00970	1.8
153.06982	18.2
154.07715	2.5
155.04860	3.8
155.07027	8.1
155.08536	19.4
155.98163	3.2
156.13815	3.8
160.04611	1.9
160.98711	3.3
165.05449	6.4
165.09160	6.4
165.12737	15.3
167.08609	2.6
168.09328	37.6
183.02890	2.6
183.04472	4.5
183.06454	5.8
183.08044	9.0
183.10110	3.7
183.11696	39.1
183.13792	36.6
183.15401	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01568	0.8
51.02369	1.0
53.03939	12.7
55.01868	6.3
55.05499	7.0
56.05003	0.7
56.96541	0.8
57.03436	3.8
57.07053	1.9
59.04980	1.6
59.06103	2.3
65.03929	5.8
66.04703	2.1
67.05495	23.5
68.04977	0.6
69.03405	4.0
69.04517	0.8
69.07057	14.1
70.06563	1.8
71.01334	2.7
71.04980	11.0
71.74429	1.0
72.04488	0.6
73.02911	0.7
73.06536	1.7
77.03918	2.2
79.05477	9.8
81.03405	74.2
81.07047	11.4
82.03733	1.3
82.06557	0.8
83.04496	1.2
83.04970	17.8
83.06071	1.6
83.08597	1.9
84.04475	0.5
84.08124	0.8
85.02899	3.1
85.06521	2.2
86.06069	0.7
91.05466	26.1
91.06035	1.3
93.03397	1.2
93.07029	10.9
94.04187	1.3
95.04952	100.0
95.08595	12.3
96.05282	1.8
97.02866	3.6
97.06514	7.3
97.07631	1.0
97.10206	0.7
98.06059	0.8
98.98455	14.1
99.04440	8.5
99.05552	1.1
99.08060	0.7
101.00910	1.0
101.06036	0.7
101.95020	2.4
103.05481	1.0
105.03383	22.7
105.04453	4.4
105.07014	11.7
107.08567	3.5
109.02869	1.2
109.06514	5.0
109.07601	1.4
109.10117	6.6
110.03645	0.8
110.05991	0.7
110.07146	0.7
111.04415	2.0
111.08051	0.7
111.11683	0.7
112.05128	0.8
113.06006	1.0
115.05482	0.6
117.07011	2.1
119.01907	2.5
119.08563	23.0
119.96037	0.8
120.08904	0.8
121.03983	0.6
121.06493	6.9
121.10102	3.1
123.04412	71.4
123.08031	6.2
123.11678	5.0
124.04683	1.1
124.07581	0.6
124.08665	1.5
125.02341	5.6
125.05983	1.8
125.07130	1.7
125.09579	1.4
127.01546	2.5
127.03977	0.8
127.07534	1.4
128.06203	1.0
129.07010	3.3
133.02859	0.9
135.08058	0.9
137.06003	4.4
137.08035	3.2
137.09595	17.1
137.13243	1.3
137.97070	1.5
138.09068	0.7
139.07529	0.8
140.04660	27.3
140.08231	0.7
141.05429	1.0
141.06993	1.9
142.07753	1.7
143.01909	1.1
143.08589	0.8
147.08012	6.9
147.11659	1.6
153.06966	7.8
154.07689	0.9
155.04588	0.6
155.07039	15.8
155.08537	9.2
155.98137	0.6
156.07396	0.8
161.02922	1.1
165.05504	1.7
165.07109	1.0
165.07632	1.2
165.09088	12.1
165.12735	1.4
166.09744	0.9
167.08560	1.6
168.04140	1.0
168.09302	15.4
177.05389	0.6
183.04726	1.1
183.06541	21.4
183.08078	3.4
183.10081	4.3
183.11728	14.9
183.13811	2.9
184.09673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1014
Annotation	(-)-5-oxo-1,2-campholide
Peak:m/z	Relative Intensity
53.03928	4.1
55.01865	9.3
55.05504	6.2
56.05013	1.6
56.96565	1.1
57.03426	4.6
57.07057	1.3
58.22697	1.0
59.04995	1.0
59.06121	6.8
65.03925	1.7
67.05497	28.6
68.05020	2.2
69.03410	3.3
69.07050	3.8
70.06564	3.2
70.47272	1.0
70.84964	1.0
70.99391	1.9
71.04982	12.6
72.08134	1.3
73.02898	2.3
79.05473	4.5
80.54909	0.9
81.03409	14.0
81.07046	11.8
82.06585	1.1
83.04968	7.2
83.06080	3.1
85.02905	4.8
85.06536	2.8
85.07653	1.3
86.08406	1.8
87.04441	1.3
91.05479	9.2
93.07038	10.9
95.04958	35.6
95.08595	27.3
97.04049	1.2
97.06511	2.4
97.07629	2.7
98.07182	1.4
98.20770	1.3
98.98454	13.1
99.04413	4.7
99.05554	2.1
99.08044	1.2
101.02366	2.6
101.95010	2.7
105.03379	22.0
105.04461	1.8
105.06993	6.5
107.08587	2.0
109.02856	1.1
109.06491	5.7
109.07619	4.4
109.10146	23.0
111.04414	1.7
113.05959	2.9
113.09605	1.5
115.05425	1.2
117.06973	1.1
119.01891	2.5
119.08559	9.1
119.96030	1.7
121.06496	2.2
121.10087	1.3
121.88975	1.0
122.07092	1.7
123.03584	1.7
123.04420	12.9
123.08051	100.0
123.11759	1.3
124.08549	3.7
125.05926	1.3
125.07098	5.1
125.09527	1.2
125.18494	1.1
127.01543	2.9
129.06987	1.0
137.05951	4.4
137.09595	26.4
137.97037	1.3
138.09091	1.1
138.10173	1.5
140.04662	3.9
140.08253	1.5
142.07750	1.5
147.08000	2.4
153.06947	8.8
154.07704	1.1
155.07086	2.5
155.08543	7.3
155.10649	60.2
156.11034	2.0
157.19791	1.0
165.05443	1.8
165.09128	7.1
166.09654	2.2
167.08473	1.9
168.09325	11.0
183.06427	2.6
183.08046	3.6
183.10095	11.8
183.11697	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1015
Annotation	Crocusatin I
Peak:m/z	Relative Intensity
53.03933	7.4
55.01862	7.3
55.05508	11.1
56.05014	3.9
56.96548	1.0
57.03435	7.1
57.04576	0.9
57.07038	1.2
59.06118	10.7
61.48274	0.9
61.77085	0.8
65.03922	2.1
67.05495	29.0
68.05000	2.2
68.05833	1.1
69.03416	7.2
69.04542	1.9
69.07056	15.7
70.06571	5.6
71.04978	11.1
71.73998	1.3
72.08141	3.0
73.06546	1.9
77.03888	1.3
79.05480	13.8
81.03406	100.0
81.04477	2.7
81.07038	12.6
82.03725	1.3
82.06567	3.0
83.04965	23.4
83.06086	5.9
84.04501	2.4
84.08141	1.8
85.02893	6.6
85.04011	1.2
85.06515	2.6
85.07664	1.7
86.06067	1.6
86.08411	1.7
86.09680	2.2
91.05468	47.5
93.07024	22.2
94.04119	1.1
94.07351	1.0
95.04953	29.6
95.06067	1.3
95.08587	21.8
96.04496	1.1
97.02857	5.6
97.06502	4.0
97.07625	5.4
98.06038	2.6
98.07140	1.4
98.88765	1.0
98.98449	18.6
99.04433	5.1
99.05550	3.3
100.07603	1.2
101.02367	1.3
101.07140	2.2
101.95020	1.5
103.05472	1.3
105.03376	33.3
105.04506	2.6
105.07013	20.4
107.04913	2.2
107.08559	2.8
109.02846	1.6
109.06522	6.3
109.07627	7.5
109.10137	11.2
110.06010	1.3
111.04433	2.0
111.08002	1.2
111.09191	1.9
113.05974	1.6
114.06602	0.9
117.06998	4.1
119.01906	2.3
119.04916	1.1
119.08559	39.4
119.96069	1.6
121.06483	8.3
121.10074	1.3
122.03627	2.0
122.07111	1.6
123.04407	17.1
123.08047	15.3
123.11653	1.2
124.05140	1.2
124.07574	1.1
124.08695	5.3
125.06071	2.0
125.07090	7.1
127.01544	3.2
127.08621	1.2
128.06197	1.6
129.06975	3.9
133.02815	1.3
133.06477	3.6
136.07433	1.1
137.05962	23.9
137.06993	1.6
137.09593	30.1
137.97069	1.7
138.09106	1.2
138.10086	1.4
139.07535	1.3
139.08566	0.9
140.04674	6.7
140.05600	1.2
140.08177	1.7
141.05432	2.0
141.06924	3.1
142.03513	1.2
142.09642	1.4
143.08424	1.1
147.08026	10.3
148.08649	2.0
153.06956	9.6
154.07724	1.3
155.04689	1.4
155.07034	4.2
155.08539	8.5
155.10660	3.6
155.98123	1.1
160.04500	2.2
165.05431	2.9
165.06932	1.2
165.09094	17.3
165.12743	1.2
166.09743	3.0
167.08470	1.9
168.09306	15.0
175.18173	0.9
183.06429	4.9
183.08089	5.0
183.10100	9.9
183.11703	17.6
183.13744	1.0
184.07458	0.9
184.16917	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1901
Annotation	Dicyclohexylamine
Peak:m/z	Relative Intensity
52.46080	0.4
53.03930	1.3
55.01855	1.1
55.05502	20.7
56.05019	0.6
57.03397	0.7
59.06112	0.5
65.03928	0.5
67.05496	1.9
69.03411	0.5
69.07047	0.8
69.68134	1.9
69.68563	1.5
70.06552	0.6
71.83448	0.5
79.05488	0.5
80.04985	0.5
81.03421	2.3
81.07044	1.8
83.04980	0.6
83.08607	34.3
86.06062	0.7
87.84798	0.5
91.05473	0.9
92.18736	0.4
93.07027	0.6
95.04953	5.7
95.08570	1.3
97.07644	0.6
97.87141	0.4
98.06059	0.7
98.07153	0.8
98.09685	0.5
98.98453	3.3
99.05593	0.5
99.31860	0.5
100.11243	25.7
101.11570	0.5
105.03375	5.9
107.08553	0.6
108.04536	0.5
108.08110	0.6
108.08914	0.5
109.02854	0.6
109.06495	0.7
109.10122	0.7
110.64081	0.5
119.08580	0.6
122.05984	0.8
122.10448	0.6
123.04394	4.1
123.05496	1.7
123.08078	0.6
125.07117	0.8
126.06297	0.6
136.07532	2.4
137.05954	3.1
137.09604	1.1
138.05424	0.5
139.09747	0.7
140.04643	1.3
140.08165	4.1
141.06912	0.7
142.07704	0.6
153.06969	1.4
154.08658	0.8
154.09726	0.5
155.07089	0.7
155.08487	1.8
164.07045	1.3
164.11530	0.8
165.05447	0.6
167.03374	1.3
167.08463	0.6
168.09311	2.7
179.95827	0.5
182.00909	1.3
182.04408	1.1
182.05820	0.8
182.08061	2.0
182.19019	100.0
183.06497	1.0
183.07996	1.8
183.10214	0.7
183.11578	3.1
183.19389	3.0
189.78101	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1538
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
53.03934	0.9
54.01916	0.6
55.01845	0.9
55.05270	0.7
55.05505	8.0
57.03424	1.5
57.07072	3.2
58.02956	35.6
59.04988	0.7
61.41461	0.7
65.03932	0.9
67.05499	23.8
69.07062	67.5
70.06570	2.7
70.07391	1.1
70.72520	0.6
71.08619	0.7
72.08145	1.4
74.06087	1.5
75.61790	0.6
79.05480	7.5
79.09612	0.5
81.07050	21.9
82.06548	0.6
83.04963	2.1
83.08221	0.7
83.08611	6.6
84.08132	9.8
85.06568	1.2
86.06051	1.6
91.05489	5.2
93.07040	12.3
94.06535	0.7
95.04946	2.9
95.08601	6.9
96.08087	0.7
97.06522	4.7
98.06031	1.8
98.09671	2.5
98.97580	1.0
98.98425	1.3
99.97939	0.9
100.07603	6.8
105.03361	1.3
105.07022	15.3
107.08582	20.8
108.08158	0.6
108.08948	0.9
109.06509	3.1
109.10149	49.8
110.10478	1.0
111.08104	0.9
112.07586	2.2
114.09159	16.9
116.98604	2.0
119.08569	1.6
121.10118	2.7
123.04449	1.0
123.08080	1.0
123.11703	7.8
126.09138	13.7
126.12765	1.6
128.10753	1.0
131.43932	0.7
133.10114	31.3
134.10466	0.9
134.99594	1.0
135.11681	18.4
137.05971	1.0
137.13281	0.7
138.12767	23.7
139.13068	0.8
140.10727	1.7
140.14317	1.2
147.11688	4.8
151.11163	9.2
153.12717	12.9
154.15895	1.7
164.11517	0.8
164.14362	2.9
165.12766	2.3
168.09320	1.9
174.39983	0.6
182.00861	1.0
182.08119	1.1
182.15392	100.0
183.08284	0.6
183.11720	1.5
183.15729	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.081
Annotation	Tyrosine
Peak:m/z	Relative Intensity
50.03416	0.3
52.47612	0.3
53.03939	0.4
54.68316	0.3
55.01859	0.3
56.96554	0.7
65.03927	0.5
67.05483	0.6
68.04994	0.4
69.03416	0.5
70.06590	0.5
71.03914	0.8
74.02436	1.6
78.46237	0.3
79.05483	0.4
80.04984	0.4
80.71878	0.3
81.03413	0.4
81.07040	0.5
82.51772	0.3
85.02865	0.5
91.05472	32.2
92.05809	0.8
93.07040	0.5
94.06547	0.5
94.07334	0.4
95.04960	4.9
95.06055	0.4
97.07616	0.4
98.97600	0.7
98.98466	0.7
99.05579	0.5
103.05440	0.9
105.03380	1.1
107.04935	0.8
108.05240	0.4
108.08108	0.7
109.02858	1.0
109.06556	2.0
109.07634	0.6
118.06529	2.3
119.04932	35.5
120.05270	1.3
121.06480	0.6
122.07149	0.4
123.04420	13.1
124.04743	0.4
125.07169	0.4
134.99594	0.4
136.07562	100.0
137.05992	0.5
137.07936	2.6
147.04391	5.3
148.04698	0.5
150.05536	0.9
155.08430	0.4
160.04596	0.5
164.07001	1.5
164.08252	0.5
165.01825	0.4
165.05463	8.3
167.03337	1.9
182.00946	0.4
182.04379	0.4
182.05734	0.5
182.08084	4.1
182.11775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01871	0.4
65.03925	2.6
66.01087	0.4
67.05502	0.4
68.02637	1.7
68.99791	0.4
69.03423	0.5
71.01363	0.3
71.05939	0.8
79.01839	1.6
79.15874	0.2
81.03408	20.5
82.03706	0.3
83.04969	2.7
93.03394	0.9
94.00527	0.4
95.04978	0.4
97.02878	0.8
105.03375	0.4
107.01300	2.5
109.02867	36.1
110.03204	0.5
111.04424	2.7
112.26475	0.2
114.00963	0.3
124.01591	0.6
127.03909	3.2
136.07518	0.3
137.02318	9.5
139.03856	0.8
141.05406	0.3
155.03362	1.8
167.03380	100.0
168.03731	2.6
168.09209	0.3
181.04976	0.5
182.05730	47.7
183.06070	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21513	0.4
56.21943	0.5
56.96556	2.6
57.03412	0.9
58.99848	2.2
61.02925	0.7
63.62793	0.4
64.72521	0.4
69.03419	1.4
70.36359	1.8
70.36704	0.4
73.02903	0.9
77.00896	1.3
81.03388	0.7
82.01429	4.5
84.08115	0.6
85.02882	1.3
89.00845	0.5
91.05462	1.3
95.04960	1.0
97.02880	1.1
98.97538	0.5
100.02467	22.1
101.00858	1.1
101.02528	1.1
102.02372	0.6
105.03387	0.8
109.02859	1.1
113.00838	8.5
115.02410	0.8
116.98608	1.2
118.02735	0.4
118.03500	11.3
119.01908	5.7
119.03555	0.5
119.04934	1.7
121.01556	0.5
123.04445	2.6
127.03941	0.4
131.01884	100.0
132.01981	3.3
132.03416	0.6
133.02448	0.7
133.03448	6.8
136.02397	3.8
136.04558	0.7
136.07564	6.5
136.08595	0.7
137.02875	1.4
141.05078	0.5
142.03499	2.5
143.01819	0.4
144.99779	1.0
145.03470	0.4
147.04422	1.0
149.02937	44.9
150.03073	1.7
151.04506	4.8
154.03471	73.0
155.01892	1.1
155.03593	4.0
156.05026	5.6
157.05147	0.5
158.97273	0.6
158.99594	0.9
159.01329	2.6
160.04568	3.2
161.02928	1.4
164.05659	1.6
164.06961	0.6
165.05402	0.9
167.01859	0.5
167.03366	1.8
172.04529	25.1
173.02934	1.1
173.04625	1.6
174.06102	1.8
176.04088	0.7
177.00856	1.5
177.02415	25.0
177.04778	2.6
178.02643	1.2
178.05530	1.0
182.02968	8.7
182.04512	0.9
182.08102	1.0
183.06216	0.6
185.02974	0.6
195.03473	9.3
195.06172	0.8
196.03601	0.6
200.04016	19.3
201.04095	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.60065	0.7
53.03933	1.3
55.01863	2.2
55.05490	3.6
56.96552	1.2
57.03442	0.9
57.06786	1.4
57.07070	22.5
59.04982	3.2
59.64124	1.0
67.05482	2.6
69.03407	1.8
69.07050	4.2
70.16924	4.1
71.04973	1.1
79.05485	9.9
81.03416	8.0
81.07043	6.0
83.04969	48.1
91.05466	5.9
93.07034	9.2
95.04961	17.4
95.08583	2.3
97.02879	1.7
97.06512	26.4
98.21401	1.0
98.97581	5.2
105.07027	7.0
107.04924	2.7
107.08570	12.8
109.02822	0.9
111.04392	1.5
111.08028	0.9
116.98612	7.9
117.07004	2.1
119.08566	2.4
121.00491	0.8
121.06483	3.7
121.10128	15.1
122.10384	1.2
123.08135	1.2
125.05977	69.3
126.06301	1.5
130.07758	1.8
133.10074	1.0
134.99635	11.5
135.04366	2.3
135.07968	1.6
135.11682	8.4
139.03879	1.0
139.07518	1.0
140.00130	1.7
145.10106	10.8
152.06067	1.0
153.00653	2.6
153.05435	1.5
158.01254	3.4
163.03911	2.4
163.11163	100.0
164.11484	4.3
165.06978	3.0
166.07745	4.8
167.03354	1.7
167.07288	3.2
167.27602	0.8
180.08072	10.1
181.04926	5.1
181.06465	1.5
181.08708	3.1
181.10161	5.7
181.12212	33.4
182.00848	1.0
182.05794	1.8
182.08257	1.4
182.09621	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03946	2.1
54.65226	0.6
55.01860	3.3
55.05508	5.7
56.96553	4.0
57.03433	1.3
57.07069	23.4
59.04995	2.9
59.06121	1.3
61.07853	0.7
61.35040	0.7
65.03946	1.5
67.05502	2.9
68.05027	1.4
69.03421	2.6
69.07062	5.4
70.06583	1.2
71.01352	0.9
71.04988	1.7
71.74488	0.9
79.05483	11.9
81.03403	7.5
81.07045	6.5
83.04971	47.2
83.06075	1.5
83.08602	1.7
84.04494	0.6
84.41946	0.6
85.02890	1.1
91.05468	7.3
93.07031	14.9
95.04958	19.0
95.06068	0.7
95.08587	2.3
97.02882	1.6
97.06521	25.4
98.07163	1.0
98.97567	19.1
98.98216	0.9
99.04498	0.6
99.05562	1.1
103.05449	2.2
105.07024	6.1
107.04948	4.4
107.08583	13.3
108.04492	0.8
109.06502	1.5
109.07661	1.0
109.10138	0.6
111.04449	1.6
111.08074	0.9
115.05495	0.7
116.98608	20.7
117.07008	3.2
119.08576	4.4
121.06496	5.9
121.10128	18.4
122.07139	1.8
123.04427	1.0
123.05553	2.1
123.08049	1.8
124.08681	0.8
125.02377	1.2
125.05976	63.4
126.06274	1.6
126.27545	0.6
130.07756	2.4
133.10086	0.8
134.99649	19.4
135.04411	5.7
135.08052	5.2
135.11679	8.1
136.07538	0.8
137.05984	0.9
137.09590	0.9
138.06607	0.8
139.03882	0.9
139.07535	0.8
139.09714	1.1
140.00145	1.6
140.08142	3.0
143.08597	0.9
145.10115	11.6
148.08774	0.7
149.05975	1.3
151.03943	0.8
153.00723	3.7
153.05481	1.5
157.07463	0.6
158.01207	2.9
163.03909	2.9
163.11163	100.0
164.06975	0.9
164.08179	1.2
164.11545	3.0
166.07701	1.2
167.03450	0.8
181.04976	6.8
181.06380	1.5
181.08539	2.6
181.10823	1.6
181.12213	31.4
182.00841	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
52.23268	0.7
53.03931	1.7
55.01840	1.1
55.05510	46.6
56.05837	0.9
56.96553	4.3
57.03410	1.4
57.07056	2.8
59.04986	2.2
67.05486	3.2
69.03410	3.1
69.07052	3.1
70.92454	0.9
70.92796	1.5
71.01341	1.7
71.04993	4.2
76.33971	0.7
79.05489	7.0
81.03383	2.1
81.07049	6.3
83.04972	3.6
83.08614	43.4
84.08928	0.9
85.06532	6.4
91.05463	3.7
93.07031	15.8
95.04953	3.2
95.08601	11.2
96.08984	0.8
97.02879	4.0
97.06512	3.9
98.97576	25.4
99.04451	27.6
100.04783	0.9
105.06998	3.3
107.04914	1.3
107.08588	23.6
109.06468	1.7
109.10130	2.9
110.78317	0.7
111.04436	2.3
111.08042	1.8
113.05976	2.5
116.98616	25.3
117.06925	0.7
118.46570	0.7
119.08597	3.7
121.06497	4.7
121.10144	13.7
121.28522	0.8
123.08052	4.1
125.06007	7.8
134.99663	14.6
135.04411	1.2
135.08028	2.2
135.11684	27.2
136.07486	0.8
137.02806	0.8
137.09578	1.4
139.07520	6.2
139.11145	2.4
140.00174	1.8
145.10124	8.5
149.49754	0.8
153.00661	2.0
153.12714	4.2
158.01218	1.9
163.03862	0.9
163.11177	25.6
166.07846	0.8
181.04967	1.5
181.12222	100.0
182.12579	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.47294	0.3
53.03925	0.5
55.01856	1.1
55.05506	2.3
56.83515	0.3
56.96554	0.8
57.03423	0.5
57.07056	1.4
59.04998	4.2
60.16040	0.3
66.18458	0.3
67.05495	3.1
69.03419	2.0
69.07057	3.9
70.62923	0.7
70.63314	0.6
72.99907	0.3
73.02917	0.6
77.82800	0.3
79.05487	6.8
80.68991	0.3
81.06598	0.5
81.07050	7.7
83.04964	1.3
83.08603	1.0
85.57361	0.3
91.05456	3.7
93.07037	18.8
95.04949	1.2
95.07996	0.8
95.08598	15.6
97.06524	1.7
98.20712	0.4
98.97569	5.0
105.07011	3.7
107.04938	1.1
107.08580	34.1
108.08927	0.5
109.06503	1.0
109.10154	2.9
111.04412	1.3
111.08079	1.8
116.98622	4.0
117.07000	1.0
119.08569	5.0
121.06498	5.4
121.10134	19.2
122.10478	0.6
123.08056	3.9
125.05971	3.5
128.06284	0.4
128.75667	0.4
130.07791	0.8
134.99658	2.1
135.08089	1.0
135.11681	46.1
136.11992	1.2
137.09561	0.5
137.13266	1.8
139.07532	8.8
139.11093	0.4
140.00142	0.5
145.10115	12.2
153.00650	0.4
153.12738	2.6
154.41216	0.4
163.11166	31.9
164.11470	0.9
181.12216	100.0
182.12582	3.5
187.11307	0.4
189.70424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03933	3.7
55.01860	5.8
55.05502	22.4
57.03426	6.2
57.07078	5.6
59.04993	2.7
65.03909	4.1
67.05495	88.9
69.03411	8.4
69.07058	14.2
70.92920	3.9
71.04987	6.7
79.05483	21.0
81.03400	3.9
81.07045	66.6
82.07362	1.5
83.04980	6.7
83.08598	3.9
85.10150	1.3
91.05466	21.5
93.07032	30.2
94.07320	1.1
95.04387	1.8
95.04961	25.8
95.08591	100.0
96.08886	1.4
97.06477	3.2
102.21491	1.1
103.05425	1.5
105.07024	24.4
106.06591	1.3
107.04908	3.2
107.08580	16.3
108.04462	2.0
109.06498	11.8
109.10142	50.9
110.10382	1.2
111.08085	1.2
112.07543	1.2
117.07004	3.2
119.04960	5.4
119.08568	24.4
121.06486	2.1
121.10103	6.3
123.04425	5.3
123.08042	18.1
123.11702	2.8
133.02832	2.5
133.06465	3.9
133.10089	9.9
134.05969	3.0
135.08029	1.3
135.11671	5.9
136.02151	2.0
137.05931	3.5
137.09590	20.9
137.13196	2.3
139.01462	1.3
146.03621	1.6
147.04402	8.0
151.03867	3.3
151.07516	1.4
151.11156	2.0
151.14804	11.8
152.07082	3.2
161.05984	6.6
161.09624	2.7
161.13271	8.3
162.09138	2.7
164.03870	1.3
179.03362	18.2
179.06798	6.7
179.08594	3.9
179.10641	10.0
179.14287	54.5
179.15884	2.7
180.06573	1.5
180.07947	1.3
180.14690	1.5
182.12047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03927	3.0
55.01867	9.7
55.05504	9.8
56.96545	2.6
57.03424	6.9
57.07060	3.2
59.04997	0.9
60.16437	0.8
63.97004	0.9
64.49248	0.9
65.03914	1.6
67.05495	49.4
68.99763	1.0
69.03419	5.4
69.07054	12.0
71.04987	6.4
71.74678	1.6
72.04475	1.1
77.03916	2.7
79.05482	35.9
80.05013	1.7
80.05838	1.1
81.03394	1.9
81.07044	100.0
82.07369	2.2
83.04967	9.8
83.08601	4.4
85.06525	8.9
85.41979	1.0
86.70207	1.0
91.05467	48.3
92.05781	1.1
93.07032	49.7
94.04115	1.4
94.07378	1.2
95.01290	0.9
95.04945	12.7
95.05982	1.8
95.08593	88.0
96.08894	1.6
97.06518	19.0
98.98463	1.8
99.08096	8.3
103.05444	2.3
105.03394	3.3
105.07014	50.9
106.06549	2.1
106.07259	1.4
107.04933	1.9
107.08582	24.1
108.04478	4.6
108.16181	0.9
109.02908	1.0
109.06518	11.0
109.07632	1.4
109.10146	10.8
110.07166	1.4
111.08032	5.3
112.07595	1.1
115.05391	1.3
117.03355	0.9
117.07011	3.6
119.04932	13.0
119.08562	66.9
120.05537	1.8
120.08125	0.9
120.08871	1.2
121.06484	4.3
121.10131	25.5
123.04412	27.2
123.08055	15.7
123.08894	1.9
123.11686	2.1
131.08537	2.0
133.02829	19.4
133.06442	6.1
133.10107	48.7
134.05956	2.7
134.07024	1.9
134.09554	1.4
134.10497	1.9
135.04381	4.0
135.08093	1.6
135.11678	36.1
136.05171	3.1
136.08698	1.4
137.05981	4.3
137.08261	4.9
137.09583	8.7
137.13213	4.9
138.06563	1.9
146.03601	2.9
147.04385	16.3
151.03896	10.9
151.07507	2.8
151.11156	2.9
151.14772	1.6
152.07045	3.6
158.82191	1.0
161.02328	1.2
161.05945	9.0
161.09642	4.9
161.13235	90.4
162.09073	2.4
162.13618	2.8
163.07484	1.4
165.09137	1.1
179.03371	79.8
179.06810	10.1
179.09024	2.8
179.10651	12.2
179.14279	93.9
180.03751	4.4
180.06493	2.1
180.10170	2.9
180.14664	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03941	2.2
55.01863	8.2
55.05500	9.1
57.03427	8.8
57.07067	2.4
62.91716	0.8
65.03938	2.0
67.05497	40.7
69.03419	4.3
69.07063	9.8
70.96585	0.7
71.00896	1.5
71.01267	1.4
71.04988	6.7
75.99049	0.7
79.05486	32.3
80.05003	1.2
81.03458	0.9
81.07047	100.0
82.07359	1.2
83.04964	9.9
83.08599	3.5
85.06532	9.8
91.05469	42.8
92.05819	1.4
93.07035	47.5
94.07349	1.5
95.04961	7.5
95.08596	83.6
96.08938	1.6
97.06517	27.2
99.08083	11.3
103.05428	1.1
105.03365	1.0
105.07021	45.8
106.06585	1.3
106.07330	1.0
107.04939	1.2
107.07902	1.6
107.08581	22.8
108.04453	3.0
109.02862	0.9
109.06516	9.4
109.10136	8.7
109.94041	0.7
111.08060	6.6
113.09598	0.9
117.06990	2.4
119.04932	4.9
119.08569	65.7
120.08862	1.2
121.06552	1.3
121.10130	19.1
123.04397	3.1
123.08049	12.0
123.11710	2.0
127.07555	1.0
131.08553	1.7
133.02827	2.3
133.06467	2.2
133.10112	44.7
134.05981	1.3
134.10475	1.3
135.04439	0.7
135.08177	1.0
135.11681	35.6
136.05199	0.7
136.11955	1.4
137.05943	1.5
137.08208	1.3
137.09593	5.2
137.13174	3.8
138.06528	0.9
138.09050	0.8
143.08521	0.8
147.02534	0.8
147.04417	7.7
151.03880	2.0
151.07541	1.3
151.11159	2.4
152.07024	2.0
159.11729	0.9
160.56538	0.7
161.05960	4.1
161.13242	94.7
162.05489	0.7
162.09096	1.4
162.13559	3.1
175.77298	0.7
179.03386	10.0
179.06856	3.5
179.10851	4.8
179.14293	98.1
180.06500	1.4
180.10201	1.2
180.14630	3.9
182.91219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03936	5.8
55.01869	9.1
55.05505	28.3
57.03418	2.7
57.07055	2.3
65.03937	4.4
66.21571	0.8
67.05498	100.0
68.05830	1.1
69.03415	2.7
69.07065	17.1
70.09292	4.0
71.04971	2.8
79.05485	69.6
80.05835	1.2
81.03411	22.1
81.07049	94.0
82.07401	1.6
83.04972	35.5
83.08160	1.1
83.08618	14.4
85.06530	3.8
91.05474	54.6
92.05801	0.9
93.07034	42.0
94.07345	1.0
95.04393	1.2
95.04962	13.8
95.08598	72.6
96.08908	1.0
97.06522	36.3
97.10162	2.8
98.65734	0.8
99.08077	2.8
105.04505	1.5
105.07024	27.3
107.07921	0.9
107.08591	12.8
108.27430	0.9
109.06507	7.0
109.10154	16.5
111.08065	7.4
113.09627	6.8
117.07027	2.1
119.04926	3.3
119.08570	30.1
121.10120	5.2
123.04404	2.4
123.08087	5.5
131.08553	1.9
133.02844	1.2
133.06471	2.3
133.10126	21.1
134.05971	1.6
134.10439	0.8
135.11685	5.0
137.09583	3.3
138.09084	0.9
146.03613	1.3
147.04384	7.0
148.56770	0.8
149.12964	0.9
151.03876	2.0
151.11252	1.2
152.07048	1.1
159.11673	1.2
161.05934	4.5
161.09593	1.5
161.13252	16.3
162.09200	1.1
162.13571	0.9
179.03345	9.2
179.06705	2.9
179.08539	1.5
179.10696	3.1
179.14297	51.9
180.06546	1.7
180.10158	1.6
180.14636	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03940	2.0
55.01861	4.1
55.05500	9.7
56.96550	0.8
57.03427	8.1
57.07076	1.7
61.41534	0.7
65.03930	2.2
66.84801	0.7
67.05493	43.3
67.15216	0.7
69.03426	3.6
69.07056	12.8
70.47849	1.5
70.48222	1.5
71.04987	5.1
77.03916	0.8
77.27951	0.7
79.05480	32.0
80.05818	0.7
81.07043	100.0
81.76530	0.7
82.07362	1.2
83.04960	7.6
83.08604	4.5
85.06528	7.0
91.05462	36.2
92.05817	1.0
93.07027	40.9
95.04956	6.1
95.08589	71.8
96.08929	2.4
97.06512	17.9
98.20778	0.7
99.08072	10.0
103.05482	1.5
105.03364	1.0
105.04583	0.9
105.07012	38.6
106.07340	1.2
107.08575	19.0
108.04454	1.5
109.06506	6.9
109.10143	7.6
111.08066	5.9
113.09637	1.7
117.06997	2.6
119.04955	2.5
119.08561	53.0
121.06515	1.0
121.09265	0.8
121.10133	15.4
123.04439	1.7
123.08062	9.6
123.11667	0.8
127.96652	0.8
131.08571	1.0
133.02863	1.1
133.06375	1.1
133.10101	33.8
134.05965	1.0
134.10493	1.1
135.11668	33.1
137.09599	3.3
137.13226	2.7
147.04350	3.3
151.11168	1.2
151.14813	0.9
161.05939	1.9
161.13234	81.1
162.09076	0.9
162.13556	2.1
178.30122	0.7
179.03381	5.2
179.06682	2.6
179.09065	1.4
179.10829	3.4
179.14284	81.1
180.10132	0.9
180.14645	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03926	2.7
55.01870	6.9
55.05262	1.8
55.05506	22.0
56.96547	1.2
57.03422	4.9
57.07069	8.2
59.04971	1.5
60.32962	1.2
65.03908	3.0
67.05495	53.6
69.03421	7.2
69.07056	15.9
71.04979	4.2
71.75262	1.9
79.05482	22.6
81.03407	1.9
81.07045	100.0
83.04958	3.2
83.08604	5.5
85.06522	3.1
85.10188	1.9
85.30286	1.4
91.05459	19.5
93.07034	26.2
95.04953	22.0
95.08594	80.2
96.08926	1.3
97.06515	4.0
98.98442	2.1
103.05434	2.8
105.03358	2.2
105.07022	26.4
106.06507	2.1
107.04908	1.8
107.08578	12.6
108.04455	3.1
109.06509	21.3
109.10146	23.7
111.08051	2.0
112.42724	1.1
114.61209	1.3
117.07008	2.8
119.04931	8.6
119.08566	19.8
121.06454	1.7
121.10095	8.4
123.04414	5.1
123.08053	21.3
123.11655	3.2
133.02849	3.4
133.06482	6.0
133.10118	11.8
133.33624	1.1
134.05977	3.0
135.11656	5.8
136.05147	1.3
137.05995	2.3
137.09618	10.1
147.04393	16.0
151.03867	3.3
151.07457	2.5
151.11121	1.5
151.14767	3.5
152.06963	1.9
161.05959	9.0
161.09587	2.8
161.13255	9.8
162.09109	2.2
163.07495	1.1
164.03989	2.1
178.07793	2.1
179.03343	21.5
179.06276	9.8
179.08630	5.2
179.10622	9.5
179.14276	36.1
180.06508	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.56439	1.2
53.03955	1.2
54.03450	1.2
55.01863	6.7
55.05494	3.2
57.03429	2.7
57.07069	7.1
57.94437	0.9
59.04984	5.3
59.60655	1.0
60.48588	1.1
62.73365	0.9
65.03933	3.0
66.92735	1.1
67.05497	11.8
68.05016	2.9
69.03410	3.4
69.07056	5.0
71.04984	2.9
71.74337	1.6
79.05482	11.2
79.18866	1.0
80.05002	1.3
81.03416	1.1
81.06593	1.9
81.07045	22.1
81.07529	1.1
83.01318	1.0
83.04960	5.0
83.06116	1.8
83.08610	1.9
84.84998	1.0
85.06533	2.5
91.05468	28.9
92.05832	1.9
93.04541	1.2
93.07030	12.4
95.04964	15.3
95.06053	4.6
95.08596	22.1
96.08937	1.0
97.06509	5.8
98.98461	1.3
99.08092	1.3
103.05453	2.1
105.07016	23.1
106.06541	1.6
107.04964	2.1
107.08566	9.5
108.04482	6.9
108.05666	1.7
109.02888	1.4
109.06510	17.8
109.10146	4.5
110.07022	0.9
111.08009	1.0
112.07646	0.9
115.05402	1.5
117.06973	1.2
118.04152	1.0
119.04932	24.6
119.08559	22.0
120.05554	2.0
120.08096	1.4
121.06499	3.2
121.10134	23.7
123.04458	4.7
123.08055	100.0
123.11571	1.4
124.08453	1.5
131.08575	1.5
133.02832	2.5
133.06468	6.0
133.10118	17.2
134.06006	3.4
134.07068	1.6
135.08049	3.7
135.11676	23.7
136.05190	4.2
137.05962	4.3
137.08238	7.0
137.09567	8.9
137.13239	23.0
137.83423	1.0
138.09087	1.1
138.13564	1.0
146.03639	1.7
146.07246	1.1
147.04398	20.1
149.05943	1.3
151.03879	3.3
151.07509	5.9
151.11165	2.6
151.14789	1.4
152.07056	1.9
152.10722	2.4
153.66325	0.9
161.05954	8.3
161.08202	0.9
161.09572	4.1
161.13239	19.6
161.14516	1.5
162.05383	1.1
162.06693	1.1
162.09116	2.3
174.34436	1.1
179.03381	14.1
179.07108	14.5
179.09210	2.3
179.10622	13.6
179.14278	29.1
180.06442	2.1
180.07899	1.5
180.10202	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.07
Annotation	CHEBI:67424
Peak:m/z	Relative Intensity
53.00282	0.8
53.03930	1.3
55.01864	3.9
55.05499	1.4
57.03418	1.8
57.07060	0.9
65.03930	8.8
66.04694	1.1
67.05228	0.5
67.05499	4.7
68.05021	0.7
69.03408	2.4
69.07033	0.7
69.40074	3.0
69.40501	2.8
72.01006	0.5
77.03922	0.6
79.05483	6.9
80.04990	0.8
80.06264	2.5
81.03413	1.1
81.07050	5.3
83.04942	1.0
85.02892	1.3
86.17924	0.5
89.03922	0.6
91.05470	100.0
92.05795	1.9
93.03383	1.0
93.04525	0.8
93.07037	4.6
94.04155	1.1
95.04957	6.9
95.06078	1.1
95.08074	0.5
95.08582	3.4
97.06491	1.0
97.48763	0.5
98.21461	1.0
98.98467	0.6
103.05445	3.8
103.08304	0.5
103.27847	0.5
105.03372	1.1
105.07019	11.1
107.04948	2.3
107.08562	1.9
108.04475	2.3
108.05721	6.4
109.02842	0.9
109.06497	2.7
109.10151	0.8
110.11658	0.5
111.04490	0.5
112.07641	0.6
115.05399	0.6
117.07016	0.7
118.04142	3.5
119.04929	89.0
119.08544	3.4
120.05286	2.1
121.02841	0.7
121.06496	3.4
121.10110	1.1
123.04432	4.4
123.05205	0.6
123.08054	8.5
124.08530	0.5
125.05891	0.6
133.02859	2.0
133.06473	8.6
133.10110	5.4
134.06035	1.0
134.07124	0.8
134.09692	0.6
135.04427	1.2
135.11682	0.9
136.05173	9.0
137.05969	8.8
137.08205	2.6
137.09557	1.3
138.06458	0.7
138.09102	0.5
146.03615	1.5
147.04391	40.3
148.04909	1.0
149.05997	0.9
150.06784	0.5
151.03925	2.1
151.07524	24.1
151.11133	0.7
152.07005	1.1
152.08142	0.7
161.02306	0.7
161.05972	4.8
161.09590	2.1
161.13249	2.2
162.09116	1.5
164.04678	1.1
165.09076	0.8
165.80890	0.5
179.03403	9.0
179.07039	30.6
179.10440	3.5
179.14293	3.1
180.07654	0.6
180.10219	1.1
180.53915	0.5
191.04755	0.5
193.52351	0.6
197.35161	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0337
Annotation	5,7-Dihydroxychromone
Peak:m/z	Relative Intensity
51.02391	0.4
53.03940	1.0
54.03468	0.6
54.81785	0.3
55.01870	3.5
55.05503	0.6
56.05027	1.2
56.96560	1.4
57.03432	0.3
57.07062	0.5
58.06591	0.5
59.04998	0.3
59.06105	0.7
60.04514	0.5
61.66615	0.3
65.03930	0.7
67.02986	0.6
67.05499	2.2
68.05013	2.4
68.99789	0.5
69.03423	1.2
69.04546	1.3
69.07040	0.3
70.04549	0.9
70.04962	0.6
70.06587	1.1
71.04972	0.4
72.04535	0.3
77.03929	1.3
79.05489	2.8
80.05010	1.3
81.03397	1.2
81.04527	1.8
81.07050	2.2
82.06573	1.3
83.04996	0.6
83.06094	3.2
84.04503	0.8
84.08147	1.2
85.02923	0.6
89.03905	2.5
91.05473	7.7
93.04534	1.0
93.07030	1.2
94.06571	0.7
95.04978	4.0
95.06081	6.2
95.08586	1.2
96.04482	1.0
96.05608	0.7
96.06884	0.4
97.02886	0.5
97.03996	0.7
97.06496	0.4
97.07639	1.2
98.07165	0.5
99.05579	0.4
103.05457	1.0
105.03381	3.8
105.04488	0.5
105.07021	5.1
106.06542	1.3
107.04929	1.2
107.06065	1.2
107.08566	1.0
108.04483	3.4
108.05620	0.5
109.02856	0.7
109.06498	1.3
109.07625	1.2
109.10165	0.7
110.07127	1.7
111.04408	0.3
111.05553	0.7
111.09152	0.4
112.07586	0.6
115.05438	0.5
117.03348	1.3
117.06998	0.4
118.04157	0.7
119.04936	9.1
119.05818	0.4
119.08549	1.8
120.05593	2.0
120.08147	0.4
121.06429	1.0
121.07542	0.4
121.10123	0.5
122.06118	0.3
122.07142	1.2
123.04417	45.0
123.08038	0.9
124.04807	1.1
124.08730	0.8
125.07095	0.4
128.06258	0.3
131.08496	0.4
133.02837	31.0
133.06471	3.6
133.10101	3.0
134.03181	0.7
134.05975	1.5
134.07106	2.0
134.09660	0.6
135.04417	4.5
135.05473	0.7
135.10040	0.9
136.02121	0.4
136.05141	1.2
136.07599	0.4
136.08694	1.0
137.02301	0.4
137.05981	2.1
137.08214	6.7
137.09473	0.7
138.06622	1.6
138.10133	0.4
139.07390	1.2
141.06555	0.5
146.03589	1.1
147.04393	12.0
148.04736	0.4
151.03900	11.5
151.07544	1.8
151.11168	0.8
152.07025	1.5
152.08177	1.9
161.02357	0.6
161.05971	4.3
161.08116	0.8
161.09589	1.6
161.13220	0.5
162.06561	1.1
162.09088	1.4
162.10269	0.7
163.07513	0.9
174.00755	1.2
179.03377	100.0
179.06865	6.5
179.09230	4.4
179.10654	3.0
179.12648	1.6
179.14194	0.6
180.03732	3.6
180.06520	0.9
180.10095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0337
Annotation	NINHYDRIN
Peak:m/z	Relative Intensity
51.02370	0.5
53.03923	1.5
54.03449	0.5
55.01862	3.4
55.05490	0.8
56.05021	1.5
56.96557	0.6
57.07052	0.5
58.99558	0.5
59.04978	0.4
64.08326	0.3
65.03918	0.6
67.05499	2.8
68.05022	2.6
69.03396	0.8
69.04533	0.8
69.07059	0.8
69.72002	2.6
70.06566	0.6
76.02221	2.3
77.03916	3.0
79.05478	4.0
80.04996	0.7
81.03393	0.8
81.04533	1.7
81.07053	2.7
82.06573	0.5
83.04975	0.6
83.06108	2.5
83.68057	0.4
84.04498	0.6
89.03903	5.1
91.04910	0.5
91.05468	7.1
93.04504	0.8
93.07029	1.7
94.06548	0.4
95.04960	4.8
95.06082	5.2
95.08587	1.9
96.04465	0.6
96.05587	0.6
97.03983	0.9
97.06393	0.3
97.07633	0.7
98.07151	0.4
98.21416	0.7
98.98457	0.4
100.06398	0.4
103.05465	0.5
105.03380	10.7
105.04459	0.6
105.07021	5.7
106.03702	0.6
106.06514	0.9
107.04950	2.3
107.06061	0.5
107.08572	1.3
108.04476	2.8
108.05598	0.8
109.02868	0.8
109.06475	1.2
109.07654	1.1
109.10154	0.8
110.06060	0.4
110.07130	1.4
111.04436	0.5
111.05537	0.7
114.18636	0.3
115.05406	0.5
116.01678	0.5
117.03352	3.6
117.07011	0.5
119.04924	4.7
119.08535	2.1
120.02080	0.6
120.05611	1.9
121.03936	0.3
121.06458	1.7
121.07607	0.4
121.10125	0.6
122.07148	1.0
123.04417	18.6
123.05367	0.8
123.08044	1.0
123.09092	0.3
123.11654	0.5
124.08762	0.5
131.08510	0.5
133.02832	38.1
133.06461	3.1
133.10106	4.3
134.03166	1.0
134.05997	1.3
134.07126	1.5
135.04404	7.8
135.05437	0.5
135.08047	0.7
136.02161	0.5
136.05109	1.1
136.07559	0.5
136.08574	0.8
137.05951	2.4
137.08195	7.0
137.09558	1.4
138.06618	1.3
138.10202	0.5
139.07379	0.6
143.08569	0.5
145.03978	0.5
146.03618	0.8
147.04388	6.1
151.03893	2.5
151.07510	1.4
151.11147	1.0
152.07036	1.0
152.08194	1.6
152.10104	0.5
152.11790	0.3
158.92735	0.4
161.02313	2.5
161.05952	3.6
161.08171	0.8
161.09579	2.2
161.13235	0.7
162.05356	0.4
162.06595	1.5
162.09103	0.7
162.10353	0.5
163.07458	0.4
164.03922	0.4
174.00642	0.6
179.03368	100.0
179.06883	5.2
179.09230	3.2
179.10674	4.0
179.12891	0.8
179.14253	1.1
180.03760	3.3
180.06354	0.8
180.10176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0336
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02369	0.4
53.03929	0.9
55.01868	1.8
55.05493	0.7
56.96564	1.4
57.03424	0.3
57.07077	0.6
59.05000	0.3
61.54095	0.2
61.60600	0.2
65.03916	0.7
67.05492	2.6
68.05008	0.4
69.03423	1.1
69.07043	0.4
69.30920	0.3
70.25699	0.3
71.04961	0.4
71.27988	0.3
71.28312	0.5
77.03900	1.5
79.05479	2.8
81.03404	0.9
81.07043	3.2
83.04963	0.5
89.03903	2.0
91.05468	5.9
92.05826	0.3
93.07029	3.0
95.04964	3.5
95.06052	0.4
95.08604	2.6
97.06500	0.8
98.98466	0.5
103.05447	0.6
105.03368	4.1
105.04488	0.4
105.07020	5.3
106.06532	0.4
107.04945	1.1
107.08578	1.5
108.04460	1.2
109.02821	1.3
109.06499	1.0
109.07637	0.3
109.10131	1.1
110.07133	0.4
111.04410	0.3
112.07591	0.5
115.05414	0.6
117.03387	1.3
117.07004	0.6
118.04124	0.4
119.04922	4.6
119.08553	1.8
120.05560	0.3
120.08076	0.4
121.06476	1.1
121.10152	0.9
122.05981	0.3
122.07205	0.3
123.04414	41.6
123.08031	1.1
123.11692	0.5
124.04745	1.1
133.02832	31.0
133.06450	2.5
133.10097	4.5
134.03148	0.6
134.05983	0.9
134.07059	0.5
135.04401	4.7
135.08012	0.3
135.11664	0.6
136.05135	0.6
136.08691	0.3
137.05959	0.9
137.08192	1.2
137.09604	1.0
138.06642	0.5
140.43907	0.3
146.03603	0.8
146.07385	0.3
147.03285	0.5
147.04381	6.1
151.03886	10.6
151.07504	0.9
151.11153	0.9
152.07025	0.8
152.08128	0.4
161.02283	0.5
161.05968	3.4
161.08275	0.4
161.09589	1.8
161.13264	1.4
162.05412	0.4
162.09105	0.9
163.07550	0.5
164.03986	0.6
179.03369	100.0
179.06761	4.0
179.10542	3.4
179.14316	2.0
180.02542	0.3
180.03761	3.2
180.06479	0.6
180.10179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1225
Annotation	Valerianine
Peak:m/z	Relative Intensity
55.01868	0.5
56.00856	0.3
57.98003	0.3
59.99444	0.3
62.41171	0.3
67.05479	0.4
68.05065	0.4
70.79439	0.4
70.79815	1.1
72.79254	0.3
77.06536	0.3
77.14507	0.3
78.06238	0.3
79.05457	0.5
80.05007	0.7
80.32485	0.3
81.07038	0.5
88.61118	0.3
91.05462	0.9
92.04968	0.4
93.05788	0.5
94.06539	0.5
105.07037	1.2
106.06560	0.4
107.08597	0.7
113.17101	0.3
114.92895	0.3
115.05454	0.7
117.05779	0.5
117.07001	1.5
118.06531	10.6
118.96712	0.7
119.04930	0.5
119.07321	10.9
132.08043	0.9
134.09637	71.4
135.09982	2.2
137.08228	0.5
147.04399	0.6
150.05502	0.4
154.94115	0.6
160.03928	0.4
160.11194	1.3
162.09167	2.5
163.09862	1.0
167.58601	0.3
172.95239	0.6
178.04974	2.6
178.12250	100.0
179.03358	1.0
179.12616	4.5
190.96271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
52.79581	1.0
53.03935	5.9
55.01868	5.5
55.05505	31.2
57.03432	7.9
57.07058	3.1
65.03925	3.0
67.05498	20.3
69.03419	6.6
69.07060	34.6
69.77643	4.4
69.78055	1.7
71.04990	6.8
77.03927	1.3
79.05486	56.5
80.05782	1.4
81.03413	1.4
81.07045	41.8
83.04955	7.2
83.08604	8.6
85.06521	1.6
88.02219	1.1
89.03922	5.0
89.75389	1.2
91.05468	50.8
91.06038	2.5
92.05772	1.3
93.07035	100.0
94.07356	3.3
95.02074	1.0
95.04948	14.4
95.08598	15.5
97.06506	5.1
98.98457	10.7
103.05466	3.6
105.04518	1.4
105.07024	35.4
106.07362	1.3
106.65750	1.1
107.04951	11.9
107.08582	62.8
109.06518	14.6
109.10148	2.4
115.05460	8.0
116.06187	2.0
117.03325	5.7
117.07005	38.5
118.07333	1.1
119.08564	22.1
121.06500	25.3
121.10127	22.5
122.07292	1.7
123.08051	2.4
129.07004	8.7
130.07762	5.5
131.08553	40.1
133.06459	2.9
133.10115	13.5
134.03615	1.5
135.08032	16.0
135.11671	9.5
143.08539	1.4
144.09335	11.8
145.02818	6.9
147.08076	1.5
147.11664	2.4
148.08817	2.0
149.02289	3.5
149.05959	3.8
149.09610	5.9
149.13234	19.7
157.10098	1.8
159.08037	1.7
159.11678	40.3
159.71156	1.2
162.10262	1.2
177.05481	6.3
177.09155	3.3
177.12730	67.1
177.16316	3.0
178.08618	1.8
178.13110	2.1
196.18436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02352	1.1
53.03922	2.2
55.01868	3.8
55.05500	6.2
57.03422	1.6
59.04981	1.1
60.06086	0.8
62.24177	0.7
64.16029	0.7
65.03926	2.4
67.05492	26.0
69.03408	2.3
69.07060	7.4
70.88020	1.7
71.04958	1.1
77.03897	0.8
78.04692	2.7
79.05479	39.4
80.05827	0.9
81.03410	3.7
81.07042	40.1
82.07381	1.2
83.04974	8.3
83.08626	3.5
85.06522	1.1
88.02197	1.1
89.03900	25.6
91.05463	50.3
92.05800	0.9
93.07027	51.9
94.07367	1.2
95.04952	11.8
95.08006	0.8
95.08594	13.2
97.06515	11.4
98.98452	18.7
99.08062	2.5
99.54866	0.8
103.05436	6.8
105.00078	0.9
105.04479	1.0
105.06320	1.4
105.07014	26.8
106.04144	3.4
106.07311	0.9
107.04958	3.6
107.08571	21.1
109.02859	2.8
109.06493	6.8
109.10126	2.4
111.08044	2.4
115.05439	2.0
116.06184	1.2
116.99548	0.8
117.03360	41.3
117.06998	34.4
118.03641	1.0
118.06539	1.2
119.08559	12.4
120.08879	1.0
121.02797	1.0
121.06482	6.5
121.10120	21.2
124.05187	0.7
129.06973	2.5
131.04048	0.8
131.04915	4.5
131.08543	48.7
132.08885	1.8
133.06398	1.2
133.10104	55.3
134.03609	6.3
134.10439	1.4
135.04404	5.0
135.08040	9.9
135.11668	14.5
136.08708	0.9
137.09601	4.8
144.09320	2.6
145.02820	45.8
146.03183	2.6
147.04346	1.2
149.02324	6.6
149.05962	17.7
149.09583	4.8
149.13234	13.9
150.06409	0.8
157.10129	1.8
158.05963	1.3
159.04280	1.0
159.08035	3.2
159.11668	63.9
160.12041	2.1
160.91821	0.8
161.09584	2.1
162.03133	4.8
163.03850	1.1
177.05443	22.2
177.09120	14.7
177.12715	100.0
178.04863	1.3
178.08603	2.8
178.13135	4.1
178.15865	0.8
186.05472	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.45884	0.3
53.03937	0.5
62.01579	0.5
63.02348	1.4
65.03925	0.5
70.47839	0.6
70.48216	1.2
78.04695	3.5
79.05476	1.1
81.03407	0.4
89.03901	48.7
90.04237	0.9
91.05471	3.9
93.07023	0.7
95.04954	1.3
95.06083	0.5
98.98466	1.5
103.05452	1.8
103.50303	0.3
105.03400	0.6
105.04482	0.6
105.06982	0.4
106.04149	3.5
107.04951	0.5
107.08588	0.7
117.03357	81.4
118.03688	2.3
119.04926	0.5
119.08569	0.3
121.06481	1.0
121.10110	0.6
124.05164	0.8
131.08513	0.6
134.03616	9.2
135.04401	6.7
136.04730	0.4
145.02820	100.0
146.03152	3.5
147.04308	0.4
149.05952	25.1
150.06322	0.7
158.05963	1.2
159.08022	0.3
159.11623	0.3
162.03078	0.8
163.03908	1.7
177.05437	26.0
177.08804	0.7
177.11339	0.4
177.12723	0.5
177.16389	0.4
178.05821	0.6
186.05496	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.4
55.01870	5.3
55.05503	6.8
57.03426	1.9
59.04987	1.0
64.79308	0.7
64.84830	0.8
65.03915	2.1
67.05497	26.6
68.99747	0.7
69.03413	2.2
69.06723	1.2
69.07061	12.1
71.04994	0.8
71.54785	1.4
71.55116	0.9
77.03918	1.1
78.04700	1.0
79.05483	36.8
80.04964	1.0
80.05782	1.3
81.03407	4.9
81.07043	40.2
83.04964	4.9
83.08609	5.1
85.06504	1.0
86.86572	0.8
88.02177	1.7
89.03915	8.2
91.05467	41.5
92.05766	1.1
93.07033	58.5
94.07377	1.0
95.04388	1.2
95.04952	12.4
95.08586	15.4
97.06522	7.6
98.98454	26.3
99.08100	1.5
100.98907	0.9
103.05474	5.3
105.03368	1.1
105.07018	27.5
106.04158	1.3
106.06509	0.9
107.04948	6.4
107.08579	28.7
109.02852	2.0
109.06490	7.9
109.10138	2.6
111.08053	3.5
115.05431	2.5
115.82579	0.8
116.06216	1.3
116.99487	1.1
117.03370	11.9
117.07005	24.2
118.06564	1.8
119.04893	0.8
119.08575	9.3
121.02831	1.5
121.06496	9.5
121.09242	1.4
121.10130	23.4
122.06046	0.9
122.10423	1.5
126.90233	0.7
129.06987	3.3
130.07768	2.1
131.04887	3.1
131.08549	29.4
132.08922	1.4
133.06482	1.6
133.10118	30.2
133.11139	1.4
134.03607	2.0
134.10449	1.0
135.04417	2.4
135.08026	10.0
135.11661	11.4
139.79927	0.7
144.09300	3.6
145.02817	13.9
148.07532	2.4
149.02339	6.5
149.05951	8.8
149.09647	6.3
149.13228	15.9
150.09042	0.9
153.09085	0.8
157.10107	1.4
159.04482	1.1
159.08054	2.8
159.11681	46.1
160.03981	0.8
160.12044	1.8
162.03038	0.8
177.05447	15.9
177.06871	1.0
177.09180	5.2
177.12727	100.0
177.16214	6.4
178.04974	2.6
178.08588	8.9
178.13197	4.0
186.05397	0.9
191.29253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	3,4-Methylenedioxycinnamaldehyde
Peak:m/z	Relative Intensity
53.03944	1.7
55.01875	1.6
55.05506	1.7
56.05047	0.9
57.03434	1.2
57.07067	6.4
59.04994	0.8
59.06110	0.6
63.02372	1.0
65.03942	2.0
67.05505	1.4
68.05049	0.6
68.99792	1.0
69.03411	1.0
69.07069	1.7
70.56892	2.3
72.08128	0.7
78.04710	3.7
78.54857	0.5
79.05499	4.4
80.04968	1.0
81.03429	0.8
81.04563	0.7
81.07047	2.5
83.06094	0.6
83.08620	0.9
84.08117	0.8
85.06520	3.0
87.05587	1.4
89.03908	51.4
90.04261	1.6
91.05470	23.4
92.05818	0.7
93.07037	5.2
95.04971	3.5
95.06097	1.4
95.08595	3.2
97.06437	0.8
97.07617	0.9
98.98452	15.4
103.05457	6.2
103.07620	0.7
105.03378	1.6
105.04453	0.8
105.07021	3.9
106.04180	4.6
107.04947	1.6
107.08577	4.8
109.02874	2.2
109.06514	1.0
109.07636	1.2
109.10171	0.7
115.05417	1.1
117.03366	82.2
117.07008	2.4
118.03706	2.0
118.06526	0.9
119.04928	31.1
119.08600	1.4
121.02867	1.4
121.06499	4.5
121.07490	0.7
121.10126	6.3
122.05991	0.7
124.05275	1.5
125.48653	0.6
129.07063	0.7
131.04916	5.0
131.08546	5.7
132.04445	1.0
132.05630	0.5
132.08072	2.4
133.10086	1.5
134.03618	11.5
134.07126	0.8
135.04419	9.2
135.05444	1.0
135.06586	0.9
135.08028	2.3
135.11662	1.7
136.08670	1.0
137.08118	0.9
137.09445	1.5
142.06535	0.9
145.02832	100.0
146.03238	2.5
147.04393	41.2
148.04680	1.2
149.02348	5.8
149.05965	34.3
149.09612	1.6
150.05318	1.1
150.06421	2.3
150.10265	0.8
158.06012	2.0
159.04393	1.4
159.06476	0.6
159.08092	1.5
159.11676	2.2
160.07545	4.0
162.03070	3.2
162.06757	0.9
163.03864	3.2
164.05319	0.6
165.05388	0.9
177.05443	47.1
177.08931	5.7
177.11340	1.9
177.12679	4.8
177.16309	3.0
178.04921	0.9
178.08601	2.0
178.10881	1.2
186.05508	4.1
193.60254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02367	1.6
53.03941	5.6
55.01854	2.4
55.05507	1.6
57.03437	2.0
59.04982	1.2
61.27346	0.9
65.03940	5.7
66.04698	1.1
67.05491	2.4
68.99786	6.5
69.03404	1.2
69.07063	5.0
70.09278	4.9
71.01350	6.0
71.01669	1.0
71.12483	0.8
77.03916	1.1
78.04703	7.6
79.05483	10.4
81.03404	3.0
81.07045	8.9
83.08614	1.7
89.03910	34.2
91.05471	52.5
92.05759	1.2
93.03384	3.2
93.07034	15.4
93.99547	0.9
95.04958	11.3
95.08592	8.8
98.21488	1.0
98.98457	24.1
100.19131	1.0
102.04633	1.7
103.05458	71.1
104.05755	1.5
105.03393	8.5
105.04503	2.4
105.07013	6.6
106.04163	28.0
107.04964	4.3
107.08579	11.3
109.02869	1.6
109.06491	2.7
109.10143	2.6
115.05418	1.7
117.03371	70.3
117.06990	2.8
118.03677	1.3
119.04922	17.7
119.08587	2.1
121.02852	2.9
121.06498	26.3
121.10133	17.3
124.05212	1.5
129.07014	1.3
129.93379	0.8
131.04916	94.4
131.08534	6.7
132.05287	2.7
133.02858	1.7
133.06483	1.1
133.10139	1.5
134.03621	23.5
135.04420	9.0
135.08015	2.9
135.11674	4.2
145.02824	12.4
145.06366	1.3
147.04407	8.9
147.08095	1.5
148.05124	1.8
149.02341	7.0
149.05966	100.0
149.09587	3.0
149.13206	1.7
150.06326	2.9
159.04416	4.7
159.08015	2.4
159.11679	4.5
162.03059	6.0
163.03888	9.8
165.05420	2.8
177.05449	92.0
177.08957	9.1
177.12717	10.8
177.16348	7.3
178.06062	5.0
178.08632	3.8
181.94783	0.9
183.34657	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03931	0.8
59.59686	0.4
63.02370	1.3
65.03922	0.4
67.05484	0.8
69.07046	0.8
70.98866	1.1
78.04694	3.2
79.05477	1.7
79.43287	0.5
80.05023	0.4
81.07033	1.1
89.03902	46.8
90.04247	1.4
91.05460	4.5
93.07028	2.6
95.04949	1.8
95.06069	0.8
95.08574	1.1
98.98448	7.2
103.05461	2.4
105.03370	0.5
105.04507	0.6
105.07025	1.1
106.04159	3.1
106.04788	0.5
107.04926	1.1
107.06053	0.7
107.08575	1.6
109.06486	0.5
109.07606	0.5
109.86271	0.5
112.08971	0.4
114.47327	0.4
117.03358	76.2
117.06982	1.0
118.03691	1.6
119.04927	1.1
119.05956	0.4
119.08595	0.8
120.08122	1.0
121.02818	0.5
121.06470	1.7
121.10110	2.3
122.07082	0.5
124.05183	1.5
131.04893	1.0
131.08519	1.4
133.06491	0.5
134.03603	9.6
135.04401	6.6
135.07957	0.5
135.11668	0.5
136.08646	0.7
145.02821	100.0
146.03114	2.0
147.04372	1.0
149.02284	2.1
149.05949	25.9
150.05389	0.5
150.06483	2.0
150.10199	0.7
150.47498	0.4
158.05978	1.4
159.08093	0.9
159.11633	1.2
162.03090	1.7
163.03897	2.7
177.05435	30.1
177.09045	1.7
177.11279	1.5
177.12723	1.3
177.16321	1.2
178.06119	2.2
178.08563	1.0
178.10896	0.4
186.05487	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57314	1.2
53.03928	2.3
55.01860	3.0
55.05497	4.8
56.05017	4.6
56.96299	1.8
56.96560	29.9
57.03418	5.1
58.06598	1.1
59.04980	2.1
59.06121	2.9
59.39912	1.1
60.04511	3.2
60.95834	2.8
61.02921	2.0
61.91603	1.2
67.05487	2.7
68.05000	1.5
68.99762	1.1
69.03417	3.7
69.07054	4.7
70.06580	5.1
71.04993	1.5
71.72964	1.5
71.95232	2.2
72.08129	3.4
73.02913	6.3
73.06535	1.6
74.06067	1.3
77.00882	2.8
78.78333	1.1
79.05492	8.4
80.05006	2.1
81.03408	4.1
81.04504	2.4
81.07030	5.0
82.06576	1.6
83.04993	1.2
83.06099	2.3
83.08588	1.2
84.04513	2.3
84.08128	3.5
84.96004	2.6
85.02883	1.9
87.05573	5.7
88.02222	1.4
89.03910	10.5
90.01560	1.4
91.05474	11.0
93.07037	11.6
94.06516	1.6
95.04955	2.2
95.06094	4.3
95.08593	5.6
97.02890	3.1
97.07655	1.5
98.09716	1.4
98.60241	1.3
98.97572	43.7
98.98448	53.2
100.02484	5.9
101.00779	1.8
103.00597	1.4
103.05441	5.0
105.02157	2.5
105.07020	6.4
106.04086	2.8
107.04937	6.0
107.08586	9.6
108.05574	1.8
109.02844	6.7
109.05116	3.2
109.06525	1.6
109.07610	1.7
109.10105	2.0
110.01305	2.3
110.03641	2.0
113.00842	8.8
116.07085	1.3
116.10722	44.5
116.98608	61.6
117.01828	4.9
117.03351	18.3
117.07024	1.9
117.98937	1.3
118.03509	3.9
118.92047	2.3
118.96748	4.0
119.00048	1.2
119.01876	10.5
119.03580	2.2
119.04900	2.0
119.08544	2.3
120.02070	2.1
120.03363	1.4
121.01630	6.2
121.02879	2.5
121.05081	3.4
121.06487	6.4
121.07671	1.5
121.10138	14.4
121.52100	1.5
122.07183	2.8
123.03246	2.0
123.04400	4.6
127.20770	1.4
128.02313	3.6
128.98557	3.0
131.01891	100.0
131.04933	3.6
131.08540	8.1
132.02026	5.3
132.08040	1.6
133.03481	2.6
133.05162	2.2
133.10144	1.8
134.03696	3.4
134.99648	72.1
135.03125	10.3
135.04417	4.6
135.06656	8.8
135.08086	2.2
135.11703	4.8
136.00060	3.3
136.02608	3.8
136.06190	16.5
136.07317	1.7
136.08734	1.9
136.93123	7.3
137.02878	5.4
137.04707	2.8
137.05884	2.3
137.06915	4.2
137.09500	1.7
139.02682	1.7
140.00159	2.5
145.02759	17.1
146.99643	5.2
147.03235	1.4
148.06229	2.0
149.03032	43.8
149.05972	15.1
149.07060	2.0
149.09608	1.5
149.13374	1.3
150.03088	2.6
150.06659	2.5
150.07767	4.4
151.06223	1.5
153.00705	14.0
153.04208	3.9
154.01147	3.4
154.03474	44.4
154.94159	18.1
154.96440	2.0
155.01865	3.1
155.03690	1.6
158.01201	5.5
159.07990	3.4
159.11653	4.5
160.06187	22.2
160.07472	1.5
162.03136	3.5
163.04025	1.4
172.04538	18.8
172.95229	64.4
173.01201	2.2
173.02864	4.9
173.04201	2.9
177.00856	2.6
177.02417	22.7
177.04156	5.2
177.05461	23.2
177.06706	1.7
177.08875	21.7
177.11354	2.5
177.12712	8.1
177.16344	8.1
178.04889	1.6
178.07224	3.1
178.08640	3.4
186.04192	1.3
190.96269	44.0
195.03433	8.2
195.04985	2.2
195.96777	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
53.80447	0.5
55.01854	0.6
56.05009	1.6
56.96563	2.2
57.03413	0.6
57.93551	1.8
58.99866	0.6
59.06108	1.6
60.04502	0.9
67.05483	0.7
67.49757	0.4
68.04984	0.5
69.03414	0.6
70.06574	0.5
71.39800	0.9
71.95245	0.6
72.04531	0.6
75.05601	0.8
75.94593	1.2
77.00893	1.2
79.05473	0.6
81.03398	1.1
81.07040	0.6
85.02862	0.5
85.72374	0.4
89.03889	1.2
91.05436	0.5
93.07015	0.7
95.01953	0.7
98.00925	0.5
98.97565	8.1
98.98445	4.9
100.02467	1.7
100.03908	0.7
101.00871	2.0
101.02505	0.5
102.05548	0.4
103.00577	0.6
103.02412	0.7
103.05454	0.6
104.02522	1.2
105.06998	1.1
107.08553	0.5
109.02855	0.7
113.00832	0.9
116.01925	11.2
116.97231	10.5
116.98598	11.4
117.03348	1.3
117.06990	0.5
117.97599	0.4
118.03506	8.8
118.06559	0.6
119.01907	24.6
119.03704	0.7
119.04878	0.6
119.08525	0.5
120.02001	3.8
120.03239	1.0
120.08065	1.5
121.01649	6.0
121.02560	0.5
121.02766	0.4
121.06511	0.7
122.03560	0.5
122.07101	0.5
127.00802	0.5
130.01666	0.5
130.03471	1.3
130.06441	1.4
131.00949	0.9
131.01891	12.0
131.08530	0.6
131.99542	2.4
133.03455	1.0
133.05240	0.7
134.02966	100.0
134.04749	3.6
134.99646	15.5
135.03096	3.4
136.02594	0.9
136.04523	3.0
137.02956	13.0
137.03957	0.8
137.04666	0.6
138.03056	2.1
139.02586	2.3
139.03610	0.9
139.98753	0.5
141.03923	0.7
141.05016	0.5
142.03508	2.6
144.06020	0.9
145.02736	1.0
146.03532	0.8
148.04657	0.7
148.07565	1.0
148.96214	0.9
149.02956	2.2
149.05931	1.1
151.04532	0.5
152.02177	2.1
152.03999	20.6
152.05859	1.8
152.96912	4.6
153.00607	4.0
153.04054	1.9
154.03496	4.5
157.03421	0.7
157.04567	5.6
158.01237	1.6
158.02951	6.7
158.04852	1.1
160.04544	2.0
160.94725	0.5
161.04745	0.8
170.03188	0.8
170.98007	1.0
171.01366	14.6
171.04948	3.3
171.06209	0.6
172.01483	0.5
172.04535	1.9
175.05617	0.6
175.98479	3.6
176.02315	1.2
176.04080	17.7
176.05823	6.4
176.07091	3.7
176.10562	0.9
176.14169	0.5
177.00908	1.5
177.04137	2.2
177.05467	1.1
189.02394	5.6
194.03040	1.7
194.05098	6.4
194.06902	2.4
199.05606	2.8
199.07391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	2.8
52.87539	1.2
53.03940	36.0
55.05500	19.9
58.99559	4.4
61.01140	29.7
62.98806	1.3
62.99061	15.5
65.00629	13.6
65.03934	6.1
67.05484	5.6
68.05023	8.1
69.03419	7.9
69.07050	3.2
70.04199	1.5
70.06541	1.5
70.90216	3.7
71.04977	7.8
71.99093	12.0
73.01102	1.7
75.02680	4.7
78.03445	12.0
78.96760	1.7
79.05453	1.8
80.05012	3.0
82.99543	5.0
84.00317	2.4
85.01112	60.3
86.01894	1.4
87.02676	50.3
89.00595	3.6
89.03859	2.5
91.05445	3.6
92.05814	1.9
93.07014	2.6
96.04476	89.5
97.04836	1.6
98.98460	9.5
100.02174	3.8
101.02953	4.0
101.04227	12.1
103.02147	35.6
103.05466	2.6
104.02905	4.1
105.06994	2.8
106.07290	2.0
112.02171	100.0
113.02985	2.7
117.03738	16.1
118.06538	2.1
119.08575	1.4
120.08884	3.9
121.06520	1.4
130.06467	7.5
130.07321	1.7
131.04892	1.3
131.08559	1.8
134.10419	1.9
135.77847	1.3
143.08035	1.4
145.02831	5.4
148.07568	2.3
149.02312	1.7
149.05937	2.8
158.00890	1.5
158.05995	2.5
159.11671	1.6
161.04599	1.7
176.01962	60.0
176.06903	7.3
176.11594	3.2
176.15190	2.1
177.05418	4.7
177.09091	2.7
177.12679	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.05261	1.0
55.05505	10.2
57.03434	0.7
57.07059	0.8
61.67750	0.7
67.05493	4.4
67.90852	0.8
69.07063	24.2
70.06609	0.9
70.07362	0.9
70.44560	3.1
79.05489	4.9
81.07052	13.6
83.08607	4.9
91.05476	17.9
93.07040	5.3
95.04935	1.1
95.08601	9.0
98.98460	20.1
103.05444	1.4
104.06218	1.2
105.07027	36.9
107.04927	1.2
107.08586	8.7
115.05446	1.5
117.06988	4.1
118.07784	1.1
119.08573	97.0
120.08857	2.2
121.10117	3.4
129.06979	3.5
131.08560	8.1
132.09259	1.0
133.06543	1.9
133.10118	88.2
134.10474	2.7
142.07738	1.4
145.06415	1.1
145.10127	8.1
145.86090	0.9
146.10861	2.1
147.04361	2.0
147.11678	15.3
157.10123	2.7
160.05157	1.9
160.12445	2.9
173.13274	2.6
175.03932	1.8
175.07549	4.8
175.11292	8.8
175.14809	100.0
176.07013	1.0
176.15242	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03965	0.9
55.05505	8.6
63.55904	0.6
67.05499	2.3
69.07058	23.8
70.47064	1.9
79.05485	3.4
81.07041	7.2
83.08599	4.9
90.65498	0.6
91.05460	9.6
93.07028	5.1
95.08591	6.6
98.98454	6.1
100.24587	0.6
103.05422	1.0
105.07018	28.1
107.08584	7.9
109.10167	0.7
115.05392	0.6
117.07006	4.1
119.08564	89.2
119.30061	0.6
120.08907	2.7
121.10135	2.6
131.08545	4.8
132.09297	1.0
133.10110	75.1
134.10442	2.5
145.10107	8.7
146.10873	1.8
147.11655	12.1
160.12430	3.7
173.13235	3.4
175.14801	100.0
176.07051	0.7
176.15144	3.9
182.27933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03946	0.6
55.01868	0.9
55.05502	8.8
57.07064	1.3
59.35160	0.6
61.20836	0.6
62.18283	0.6
65.03933	0.9
67.05497	3.2
69.07056	24.0
70.99889	1.2
79.05486	2.5
81.07039	6.4
83.08598	5.2
91.05465	13.1
92.05751	0.7
93.07015	4.0
95.04951	0.7
95.08592	6.5
98.98455	14.3
103.05472	1.2
104.06242	0.6
105.07016	29.9
106.07350	0.8
107.08579	5.8
108.25468	0.7
115.05447	1.3
117.07009	4.4
119.08562	100.0
120.08801	3.0
121.10143	3.1
129.06993	1.8
131.08540	4.9
133.10106	83.2
134.10477	2.0
135.07909	0.8
135.11630	1.0
144.09283	0.7
145.10104	7.9
146.10808	0.9
147.04384	1.0
147.08008	1.5
147.10568	0.8
147.11668	12.4
159.11617	0.9
160.05171	1.7
160.12486	4.8
173.13280	2.8
175.03867	1.2
175.07561	3.6
175.14795	100.0
176.15155	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05506	4.2
67.05481	1.7
69.03434	0.7
69.07059	12.0
71.33922	0.8
71.34258	0.7
76.74987	0.8
79.05479	2.6
79.20479	0.5
79.27444	0.5
81.07049	5.3
83.08595	2.4
91.05462	9.8
93.07026	3.5
94.74581	0.6
95.04960	0.9
95.08604	4.1
98.98455	15.6
103.05499	0.9
104.64082	0.6
104.90054	0.6
105.07017	23.7
107.08571	5.7
115.05410	0.7
117.06989	5.4
119.08570	65.1
120.08911	2.3
121.10145	1.6
129.06976	1.7
131.08531	5.7
132.09369	0.7
133.10114	67.4
134.10484	2.7
142.07727	1.2
144.09375	1.7
145.10110	12.7
146.10776	1.2
147.11668	26.2
148.12056	1.5
157.10130	2.2
159.11693	5.0
160.12476	9.1
161.13155	2.1
173.13234	2.2
175.07477	1.0
175.11186	3.2
175.14806	100.0
176.07002	0.9
176.15230	3.5
178.19334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
51.02380	0.5
53.03940	0.7
55.01867	1.4
55.05231	0.5
55.05504	9.0
56.96566	0.6
57.07066	1.1
60.05643	0.8
63.58840	0.4
65.03909	1.0
67.05502	3.4
69.03414	1.4
69.07061	26.2
69.32547	0.5
70.06588	3.1
71.19083	0.4
71.74325	0.5
72.93774	0.5
73.04810	0.4
74.90615	0.4
79.05476	4.1
81.03410	0.8
81.04507	0.5
81.07047	8.0
82.36023	0.5
83.04961	0.9
83.08609	5.4
85.02891	0.7
89.03870	0.6
90.94802	0.9
91.05467	21.5
92.05807	0.7
92.90054	0.8
93.07023	4.6
95.04974	1.5
95.08595	6.0
97.02898	2.3
97.95670	0.5
98.03650	0.6
98.98454	37.7
103.05446	1.9
103.12040	0.4
104.22238	0.4
105.03397	0.7
105.07018	32.4
106.07319	1.0
107.08583	5.9
108.95859	0.4
110.78337	0.4
111.04430	1.1
115.05435	3.3
116.06328	0.5
116.07040	0.6
116.99503	1.3
117.07012	5.0
119.04919	4.2
119.08568	98.8
120.08823	2.7
121.06471	1.3
121.10125	3.3
128.06200	1.3
129.06993	5.8
130.06508	2.4
131.04915	0.9
131.06885	0.6
131.08556	6.4
132.05666	1.1
132.95796	1.6
133.10110	78.5
134.06091	0.6
134.07086	0.7
134.10431	3.0
135.07886	0.8
135.11655	0.8
142.07744	2.7
144.05659	0.8
145.06511	1.0
145.10104	6.9
146.10768	1.1
147.04417	4.8
147.08020	2.4
147.11670	12.6
148.07489	0.8
148.08627	1.1
148.12082	0.5
150.96887	1.6
151.93773	1.1
157.06419	0.7
157.10112	3.4
158.05986	0.8
158.10736	0.6
159.11658	0.9
160.05209	5.2
160.08546	1.3
160.12453	5.0
173.13193	2.3
175.03911	5.3
175.07513	12.0
175.11205	10.7
175.14803	100.0
176.06870	2.1
176.15175	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98413	0.4
55.01859	2.7
55.05505	0.9
56.05029	0.6
56.96553	4.3
57.03429	5.5
58.99858	0.9
59.04976	0.6
60.04514	0.7
60.05640	33.4
61.02916	2.6
67.05489	0.7
67.44917	0.4
68.99773	0.8
69.03418	4.3
69.07056	0.7
70.06579	100.0
71.01369	0.9
71.04977	2.6
71.06925	1.6
71.30817	0.5
71.74074	0.8
72.08142	5.6
73.02904	3.4
77.00905	1.1
79.41583	0.4
81.03423	1.4
81.07059	0.9
83.01323	1.0
83.04976	1.4
84.08137	2.2
85.01395	1.3
85.02884	4.3
86.06049	0.7
87.04466	1.2
88.02686	0.6
89.53663	0.4
90.02414	0.6
90.94794	0.7
91.05461	3.5
93.07074	0.5
95.08608	0.5
97.02847	3.8
97.07664	0.7
98.03657	0.9
98.06051	1.9
98.98451	42.3
99.04417	0.6
100.03869	0.5
101.00882	2.9
101.01440	0.5
101.02386	0.5
103.00615	0.6
103.02441	9.5
103.49663	0.5
104.02557	0.7
105.07001	3.0
108.02399	0.6
109.02863	0.6
110.02123	1.0
111.02961	1.0
111.04398	1.2
112.02818	0.6
112.07600	1.1
112.08721	4.3
113.02363	1.3
113.07198	0.7
114.05555	1.2
114.09167	3.4
114.10291	0.8
115.02421	2.4
115.03943	1.1
115.05878	0.8
115.08649	1.2
116.07072	25.9
116.97272	0.7
116.98615	1.4
116.99524	1.4
117.02950	0.8
117.07038	0.6
119.01898	22.4
119.04932	0.9
119.08571	4.1
120.01948	2.5
120.03424	0.7
121.01649	4.2
121.03469	7.1
125.02401	0.5
126.01659	0.5
127.03929	1.6
129.01875	1.2
129.05461	0.8
129.06989	1.1
130.06563	0.6
130.08740	1.3
130.09740	11.7
130.10634	0.8
131.01906	3.7
131.08641	0.9
132.02045	0.6
132.10188	2.7
132.95906	0.8
133.01704	1.7
133.03439	16.4
133.06529	0.5
133.10156	2.1
134.03603	1.1
134.99660	0.7
135.01292	0.7
135.03210	1.3
137.02931	10.0
139.02707	1.2
139.03844	0.9
141.32253	0.6
142.03537	1.7
142.07822	0.8
143.01927	1.7
144.02039	0.8
144.99840	0.7
145.01627	0.5
145.03429	5.0
146.99615	0.9
147.01401	1.8
147.03267	0.6
147.04468	1.7
147.08093	0.9
147.11656	0.6
149.02971	0.8
150.96938	1.4
151.04486	5.9
155.01913	0.6
156.02014	0.7
156.05090	0.8
157.01665	0.9
157.03511	2.6
157.04836	0.5
157.10886	1.4
158.03757	0.8
158.08055	1.1
158.09235	8.2
160.97643	1.9
161.02948	3.1
161.04820	0.5
162.03215	0.9
163.02716	1.1
163.04572	1.6
171.01434	2.1
173.03044	1.4
174.03125	1.2
175.01160	0.6
175.02588	1.3
175.04527	17.2
175.05910	0.7
175.07692	2.3
175.11935	19.8
175.14870	2.2
176.04625	1.5
176.07169	1.6
176.12323	0.6
179.04030	1.0
186.03114	1.0
187.01074	0.8
187.02805	1.8
189.02386	0.9
193.00284	0.9
193.01990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1189
Annotation	Amino acid(Arg-)
Peak:m/z	Relative Intensity
53.03943	0.5
55.01861	1.1
55.05508	0.6
56.05025	0.3
56.96560	2.8
57.03432	4.0
58.03768	0.4
58.06594	0.6
58.99856	0.7
60.05643	35.5
61.02914	1.2
63.84325	0.3
66.22270	0.3
68.05015	0.5
69.03424	2.2
69.18434	0.3
70.06585	100.0
70.99861	0.4
71.01349	0.4
71.04987	2.6
71.06916	1.2
71.73145	0.3
71.73525	0.5
72.08148	6.8
72.57433	0.3
73.02900	3.0
74.03275	0.3
74.06052	0.4
77.00920	0.6
81.03421	1.1
82.99872	0.5
83.04969	0.4
84.08149	2.6
85.01417	0.7
85.02898	2.5
85.06536	0.5
86.06056	0.3
86.80045	0.3
87.04481	0.9
88.07625	0.8
90.94819	0.5
91.05490	0.7
97.02869	2.0
97.07673	0.6
98.06051	1.9
98.97794	0.7
98.98454	9.4
98.99064	0.7
99.04440	0.6
101.00871	2.5
102.00925	0.6
102.02414	0.9
102.09158	0.6
103.00600	0.6
103.02433	5.3
105.00359	0.4
105.07043	0.9
108.02440	0.4
111.02915	1.1
111.53004	0.8
112.02786	0.6
112.07607	2.6
112.08728	4.1
113.07143	0.9
114.05529	0.8
114.09168	1.3
114.10271	0.4
115.02422	1.3
115.03895	0.4
115.05858	0.6
115.08685	1.2
116.07085	26.3
116.98611	0.8
118.03540	0.4
119.01911	18.4
119.08563	1.0
120.02015	2.3
120.03435	1.1
120.53518	0.4
121.01662	3.1
121.02448	0.4
121.02608	0.4
121.03479	4.3
125.00684	0.3
127.02415	0.5
127.03900	0.7
129.03967	0.9
129.10201	0.3
130.08705	1.1
130.09746	11.2
131.01895	2.2
132.02063	1.6
132.04480	0.4
132.10222	1.2
132.95886	1.5
133.01668	1.4
133.03447	11.4
133.10086	0.6
134.03569	0.7
134.99747	0.4
135.03209	0.4
137.02924	7.1
138.03076	0.7
139.02629	0.4
142.03502	0.9
143.01884	1.3
144.02020	0.4
145.01645	0.7
145.03448	3.9
146.03641	1.2
146.99655	0.8
147.03212	0.6
149.02922	0.5
150.96938	0.9
151.02657	0.4
151.04507	5.7
155.01866	0.6
156.02013	0.4
156.05070	0.8
157.01643	0.8
157.03438	1.7
157.10909	0.9
158.08089	0.4
158.09233	6.8
159.03235	0.5
159.07675	0.5
161.02931	2.8
162.03059	0.9
163.02711	1.5
163.04526	1.3
164.04710	0.3
171.01332	0.7
173.02974	1.0
174.03130	0.9
174.06200	0.4
174.99156	0.6
175.02835	0.9
175.04510	15.6
175.07590	0.7
175.11905	18.5
175.14592	1.1
176.04648	1.2
176.07025	0.5
177.96100	0.4
179.04056	0.9
185.02965	0.9
186.03169	1.0
187.01118	0.4
187.02751	1.3
193.00258	1.0
193.05501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1116
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
52.14638	0.9
52.69025	0.8
53.03930	1.1
53.04655	0.7
54.26628	0.7
55.01861	1.8
55.05490	3.3
56.96543	0.8
57.03430	94.0
58.03744	1.0
59.04976	0.9
60.05627	1.1
60.39980	0.7
67.05494	4.5
67.27100	0.8
69.03413	2.2
69.07063	5.4
70.06596	4.2
71.14276	1.4
71.14630	1.7
79.05469	3.4
81.03389	1.4
81.07047	10.4
83.04966	1.8
83.08626	1.2
85.02896	1.1
90.73485	0.8
91.04906	1.6
91.05473	26.3
92.90030	1.2
93.07059	4.1
95.04944	1.2
95.08598	6.6
97.02858	3.1
98.03651	2.6
98.98457	91.2
103.05425	2.7
105.07018	29.7
107.04971	1.3
107.08582	4.9
109.10158	0.9
111.04450	1.7
115.03915	1.2
115.05389	2.5
116.07031	1.0
116.99484	3.2
117.06995	7.9
118.07793	0.9
119.04892	1.9
119.08568	100.0
120.08861	2.0
121.06504	1.6
121.10130	1.0
125.02360	1.2
128.06180	1.6
129.06979	6.4
131.04924	0.8
131.08557	5.4
133.06451	3.1
133.10109	52.5
135.07921	1.3
140.01038	1.2
142.07761	4.6
145.06470	2.6
145.10124	3.4
146.07289	4.1
146.10828	1.5
147.04384	5.5
147.06387	0.8
147.06920	1.1
147.08035	11.4
147.11668	12.9
151.93849	2.1
157.06422	1.8
157.10130	7.3
160.05171	1.7
160.08809	3.1
160.12387	1.5
175.03914	4.2
175.06053	1.2
175.07503	10.1
175.11166	49.2
175.14793	36.7
176.07068	3.4
176.11508	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03915	0.8
55.01852	1.1
55.05490	3.6
56.96558	4.2
57.03431	80.5
57.07079	1.2
65.03915	0.9
67.05483	2.6
69.03416	2.2
69.07073	4.4
70.06585	4.8
70.99243	1.8
70.99617	1.6
79.05474	3.2
81.07055	6.0
83.04928	0.8
83.08597	1.1
85.94178	0.7
91.05467	21.9
92.89964	1.4
92.90462	1.6
93.07045	5.0
95.04951	1.8
95.08585	3.8
97.02873	2.7
98.98458	100.0
101.60450	0.8
103.05453	1.8
105.07024	24.7
105.87932	0.8
107.04944	1.6
107.08613	3.9
111.04411	0.8
115.03867	1.0
115.05385	1.4
115.56033	0.8
116.06216	1.1
116.06995	1.0
116.99471	4.1
117.07006	7.6
118.07745	1.2
118.66171	0.8
119.04882	1.5
119.08572	67.5
120.08901	2.0
121.06477	2.1
121.10139	1.2
128.06197	1.6
129.06999	5.7
130.06485	1.5
131.08580	4.8
132.05717	1.0
133.06490	3.9
133.10109	25.9
140.01031	1.8
141.07001	1.4
142.07780	6.7
145.06467	1.5
145.10066	2.9
146.07190	1.9
147.04401	3.3
147.06381	1.0
147.07996	7.0
147.11664	9.2
148.04010	1.0
148.07414	0.9
151.93961	3.8
152.05939	1.0
157.06360	1.3
157.10115	9.2
160.05173	1.1
160.08801	2.7
169.94931	1.0
175.03873	3.0
175.07491	5.4
175.11163	49.1
175.14796	25.5
176.07060	3.0
176.11589	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.4
55.05499	2.7
56.05823	2.3
56.48809	1.0
57.03430	6.6
57.07070	40.2
58.06593	1.1
60.04499	2.5
62.02443	59.1
63.22365	1.1
67.05490	1.6
68.05002	4.6
69.03409	3.5
69.07069	1.8
70.06238	1.2
70.06582	4.3
71.74146	1.1
71.74596	2.6
77.29877	1.1
79.05485	2.5
83.04972	2.3
84.04501	2.1
84.05302	3.1
85.02902	1.9
86.06052	1.2
87.04470	1.1
88.03969	3.9
90.05552	1.6
91.05461	10.2
91.90387	1.6
92.90016	2.6
93.07035	1.5
96.04489	8.3
97.02879	6.1
98.98456	86.0
100.07591	2.8
101.05987	1.5
102.06313	1.7
105.07001	7.1
111.04458	2.1
112.04778	1.6
114.05512	8.1
115.03912	4.1
116.07079	1.4
116.97176	1.4
116.99478	2.7
117.05729	1.4
117.07016	3.2
118.06565	6.6
118.08641	88.3
119.04948	1.8
119.08545	11.3
128.07065	5.4
129.06982	4.5
130.05801	2.0
131.08531	3.7
132.08040	4.3
132.08919	3.5
133.06467	2.7
133.10112	11.2
140.01065	1.3
142.07744	1.5
144.08060	2.6
145.10046	2.1
146.05969	5.2
146.08083	2.3
146.10573	1.3
146.11761	1.9
147.04420	5.8
147.08058	1.8
151.93994	6.5
156.07402	2.1
157.10114	2.8
159.11359	2.1
169.94969	2.0
174.05409	6.0
174.07448	6.8
174.08574	2.0
174.08969	2.9
174.12579	11.3
174.14880	100.0
175.03893	4.8
175.06161	1.7
175.07512	5.0
175.11168	9.3
175.14851	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13701	0.4
53.18673	0.4
55.05503	2.3
55.99300	0.4
56.05030	0.9
56.96545	1.5
57.03421	1.7
57.07071	36.0
57.70636	0.5
58.06585	0.6
58.07401	0.7
59.04993	4.1
59.06123	0.9
60.04509	1.1
60.05647	0.6
66.32726	0.5
67.05493	1.0
68.05017	1.3
69.03426	0.8
69.07076	0.9
69.82163	2.1
69.82569	1.0
70.06574	1.3
70.95859	3.2
71.04948	0.5
72.08160	0.6
72.93784	4.7
74.02433	100.0
75.02775	0.5
75.96943	0.4
82.02922	2.7
83.04976	0.7
83.08607	3.2
84.04503	0.9
84.08143	0.5
85.04012	0.6
85.06535	31.1
86.06067	0.6
86.06853	0.6
88.96868	0.5
90.94841	1.6
91.05463	1.1
93.07031	1.9
95.04926	0.7
95.08611	1.1
96.04491	6.4
97.02891	7.8
98.97599	0.8
98.97745	0.8
98.98463	10.0
99.05537	0.6
100.03969	2.2
101.09645	21.1
110.09679	1.8
111.08055	1.2
111.98478	2.7
112.04780	1.1
113.96377	0.8
113.98621	1.2
114.05528	1.5
115.03910	1.2
118.06522	0.8
119.08532	0.6
126.06672	1.0
127.20915	0.5
128.07095	1.3
128.10699	18.1
129.11086	0.9
129.99516	1.8
130.08675	0.6
131.97415	2.2
131.99706	1.6
132.95818	6.7
138.09137	0.8
139.07529	3.0
146.06013	1.3
149.96053	0.6
149.98518	1.0
150.00652	0.7
150.96880	12.7
151.93771	0.6
155.97417	2.2
156.07631	0.6
156.10213	4.2
157.71751	0.5
168.97969	0.6
173.98468	3.3
174.05545	1.5
174.07545	0.7
174.11368	2.4
174.12708	1.1
175.07391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.76416	0.5
55.05504	7.4
57.03428	0.6
57.07059	1.5
59.04992	1.4
65.24095	0.4
67.05501	3.3
69.03407	0.6
69.07060	0.5
69.55534	3.3
69.55950	1.0
71.06135	0.4
72.93759	0.4
73.06053	0.4
73.46722	0.5
76.02200	0.6
77.46852	0.4
78.44809	0.4
79.05486	2.6
81.07053	3.8
83.04961	6.9
87.04468	0.7
89.02387	0.7
91.05468	15.8
93.07025	2.0
95.04959	0.5
95.08576	1.1
99.04475	0.6
101.06000	5.1
103.03281	1.6
103.05466	0.9
105.07017	14.5
107.08603	0.9
111.04424	5.9
113.05993	0.7
115.05419	2.5
116.06227	3.0
117.05750	0.6
117.07014	13.4
119.08575	14.5
127.05433	0.4
127.07562	1.0
128.06165	2.1
129.05524	4.1
129.06987	13.1
130.07788	5.3
131.08548	95.1
132.08902	3.3
133.10110	2.3
141.06958	0.5
142.07788	0.9
143.08545	20.9
144.09332	9.0
145.06459	1.7
145.10109	34.2
146.10435	0.7
155.07028	6.0
156.07320	0.6
156.09335	1.6
157.10098	1.1
158.07318	2.3
158.10893	25.3
159.11287	0.9
171.11699	2.1
173.05969	0.8
173.08194	7.9
173.09686	3.7
173.13237	100.0
174.07658	0.4
174.13730	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35069	0.4
53.03920	0.4
55.05489	1.3
55.86686	0.5
56.05028	6.0
56.05835	0.7
56.96304	0.4
56.96561	7.9
57.03433	2.5
57.07069	0.9
58.06575	0.5
58.99860	1.2
59.06109	1.6
60.04509	1.2
60.96208	0.4
63.46854	0.4
68.05014	0.5
69.03407	1.1
70.78731	1.5
70.95867	3.3
71.06083	0.5
72.04493	0.6
72.93776	3.1
73.02930	0.5
73.06547	2.8
74.06888	0.5
75.05588	0.7
76.03972	0.5
77.00893	1.7
81.03397	0.9
81.69659	0.4
82.99397	0.5
82.99863	1.4
83.04939	1.5
83.06107	0.5
83.97606	0.7
84.04479	0.7
84.05293	0.5
84.08125	1.5
85.01364	0.7
85.02881	0.8
85.04044	0.6
86.06055	0.8
87.04462	0.5
87.05564	1.5
88.51661	0.6
88.96885	1.1
90.94802	1.2
91.05457	1.5
95.05000	0.4
96.04468	0.5
97.02861	1.5
98.97533	0.6
98.98459	7.8
99.05573	0.9
100.02457	1.5
100.07599	0.6
101.00867	6.1
102.00985	0.8
102.02284	0.5
102.06327	0.6
103.02428	6.2
105.07013	0.8
108.05107	0.4
109.02851	0.6
111.04391	0.7
111.98469	3.1
112.04717	0.5
113.98647	2.6
114.04014	1.9
114.05503	0.6
114.06644	0.6
115.02414	1.4
115.03963	0.6
116.98618	1.1
116.99435	0.5
117.93067	0.4
118.03507	2.8
118.06573	0.7
119.01908	56.6
119.08603	0.6
120.01992	9.7
120.03217	0.8
121.01651	4.2
121.02431	0.5
121.02715	0.4
121.03484	4.1
125.04484	1.3
126.06641	0.7
128.01906	1.7
128.07080	1.3
129.02802	0.6
129.99490	1.8
131.01868	1.3
131.08540	0.8
131.97478	0.8
131.99704	5.5
132.01419	1.9
132.05052	42.1
132.95819	4.9
133.01479	0.6
133.02377	0.6
133.03450	13.4
133.05070	2.3
134.02914	2.2
134.99615	2.2
135.03088	0.8
136.04538	1.5
137.02945	28.5
137.49973	1.3
138.03050	4.3
139.02673	2.0
140.00230	0.6
142.03494	4.0
145.03430	4.5
146.05937	0.9
146.08136	1.3
147.03758	10.7
148.01352	0.8
149.00801	1.3
149.02940	0.6
149.98560	0.6
150.00725	9.4
150.02467	13.0
150.06100	32.1
150.96873	12.0
151.02556	1.7
151.03525	0.9
151.04520	6.7
151.06221	1.4
153.00757	0.6
155.06676	1.9
155.97368	2.1
156.05002	7.5
156.07448	1.3
157.03450	1.5
157.04726	0.6
160.04468	0.6
160.05278	0.5
162.03008	1.0
163.04518	1.7
165.04839	4.5
168.01804	1.3
168.03522	4.7
168.97990	0.9
169.03445	3.2
169.04611	1.0
173.04128	0.9
173.07735	2.1
173.98515	3.5
174.06108	100.0
174.12668	2.6
175.04498	21.0
175.06131	4.3
177.00957	0.5
178.06207	0.7
185.02893	0.6
187.04547	1.3
192.07135	23.3
193.05527	1.2
193.07349	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03928	0.5
53.65614	0.4
55.05502	5.3
57.03421	0.4
57.07062	0.6
57.24511	0.4
59.04998	0.9
65.03936	0.4
67.05499	2.0
70.98438	0.9
70.98817	0.9
71.88760	0.4
72.93778	0.8
76.02206	0.6
77.03941	0.4
79.05481	1.9
81.07045	2.7
83.04965	4.8
88.07624	0.5
89.07936	0.6
90.90382	2.1
90.94789	0.7
91.05470	11.9
91.60358	0.4
92.94753	0.4
93.07018	0.5
96.42112	0.4
97.34840	0.4
101.05993	3.5
101.97225	0.3
103.03296	0.9
103.05457	0.7
105.07014	11.1
111.04427	5.8
115.05427	2.8
116.06198	3.1
117.07018	6.1
119.08565	12.3
120.08904	0.6
127.07582	0.5
128.06186	2.2
129.05545	1.9
129.06981	10.4
130.07782	4.1
131.08549	82.0
132.08885	2.8
133.10091	2.8
142.07738	1.2
143.08542	26.5
144.09328	8.0
145.06444	1.0
145.10104	25.0
146.06013	0.5
146.10449	1.2
149.94055	2.4
155.07025	3.6
155.08546	1.1
156.09348	1.6
157.10120	1.9
158.07271	1.8
158.10893	38.0
159.11665	3.1
171.11659	1.9
173.02350	1.5
173.08179	5.1
173.09641	5.4
173.13240	100.0
173.17203	2.8
174.13734	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01856	0.9
55.05505	23.0
57.03418	1.4
57.07056	1.1
59.04996	3.7
65.03911	0.8
67.05493	4.1
68.05000	1.0
69.07030	0.8
71.04979	1.7
71.06138	1.0
71.74948	1.3
72.93771	2.4
73.02921	0.8
74.39732	0.6
76.02220	2.3
79.05468	3.9
81.03410	1.4
81.07056	4.4
83.04975	20.4
84.05340	0.8
86.06046	1.1
87.04459	1.7
88.85107	0.7
89.02390	0.9
90.90383	3.4
90.94804	1.3
91.05473	15.5
93.07045	3.0
95.08591	2.1
96.04498	1.1
96.46014	0.8
98.98466	0.8
99.04444	1.7
100.07519	1.0
101.06006	16.0
103.03286	3.2
103.05487	1.1
105.07019	16.1
108.95824	1.1
111.04434	18.4
113.06003	3.0
113.96380	0.9
114.05468	1.1
115.05457	2.6
116.06250	2.2
117.07011	19.7
118.06534	1.7
119.08572	7.7
127.07550	3.0
128.06203	1.4
128.07086	1.3
129.05472	12.1
129.06966	7.9
129.29442	0.7
130.07741	2.9
131.08553	100.0
132.08920	1.3
133.06497	0.8
137.05930	0.7
140.46469	0.7
143.08572	6.8
144.09360	3.9
145.06471	2.9
145.07578	1.0
145.08945	1.6
145.10110	26.3
146.05981	1.3
149.94020	3.0
155.03409	0.7
155.05835	1.5
155.07024	17.7
155.08336	1.4
158.07266	2.3
158.10921	7.1
167.94957	0.9
171.11656	1.7
173.02330	1.1
173.04552	1.6
173.05821	1.2
173.08174	24.6
173.09685	4.5
173.13242	73.9
174.05455	0.9
174.07582	1.0
174.13684	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1166
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03952	0.7
55.05500	5.9
56.96563	0.8
57.07060	0.8
67.05498	1.0
69.07059	1.0
71.05032	0.5
71.16116	1.0
72.04508	11.1
79.05485	5.2
81.07059	0.7
83.04956	0.7
83.08617	3.3
87.04472	0.6
89.07137	7.6
91.05466	11.9
93.07059	2.3
95.04970	1.1
97.06505	0.8
103.05470	2.0
103.94450	0.5
105.07026	5.9
107.89028	0.5
111.04462	1.0
111.08055	0.7
115.05443	7.2
116.06236	0.7
117.07000	3.7
128.06209	43.9
129.06992	70.1
130.07733	3.8
131.08571	2.1
131.41451	0.5
141.06967	17.7
141.96423	0.5
142.07765	23.4
143.08546	66.2
144.08859	2.6
145.06477	3.2
153.01822	0.5
155.06017	2.0
155.08566	2.9
156.09328	31.5
157.09801	2.0
169.10109	2.0
171.02980	0.7
171.05435	1.3
171.08023	1.8
171.11668	100.0
172.12108	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01885	0.5
55.05503	0.3
56.96558	0.4
68.99807	0.3
70.06519	0.2
70.99638	0.4
70.99960	0.3
72.04503	0.5
75.77748	0.2
79.01840	0.9
80.35471	0.2
81.03411	9.8
81.07048	0.2
82.03734	0.4
83.04935	0.2
83.08604	0.3
84.04482	0.3
85.02857	0.2
86.06034	0.3
87.98074	0.2
92.04986	0.4
93.05772	0.6
94.07481	0.2
95.01334	0.5
97.02894	0.3
107.01302	0.3
109.02869	46.5
110.03206	0.8
110.06005	0.5
110.69969	0.2
112.01580	3.1
123.00745	0.2
124.07587	0.7
125.02326	0.4
127.03002	0.4
127.03909	6.6
137.02328	4.7
142.05783	0.3
142.08606	0.7
143.08533	0.4
145.66064	0.3
152.07056	0.5
155.03374	100.0
156.03700	2.3
156.09329	0.4
170.05734	23.2
170.07866	1.5
170.09619	1.3
171.06030	0.5
171.14891	0.3
177.07072	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01874	0.4
55.05500	0.3
57.63187	0.1
63.55439	0.2
69.03438	0.2
69.07053	0.2
70.99522	0.2
70.99866	0.5
72.04511	0.2
79.01836	1.2
81.03409	10.5
82.03738	0.2
84.02116	0.2
85.02882	0.3
87.29308	0.2
92.05032	0.3
93.05774	0.4
95.01315	0.4
96.08073	0.2
97.02885	0.2
107.01318	0.3
109.02863	45.6
110.03168	1.0
110.49339	0.1
110.98495	0.1
111.04435	0.2
112.01576	3.2
121.10744	0.2
124.07597	0.3
125.02348	0.6
127.03900	6.5
137.02319	4.9
138.02647	0.2
142.08641	0.5
146.96165	0.2
152.07056	0.3
153.23407	0.1
155.03369	100.0
156.03714	2.5
156.09386	0.2
170.05721	20.2
170.08118	0.8
170.09633	0.8
171.06065	0.5
171.08102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01858	0.4
68.05770	0.2
68.99766	0.4
69.03429	0.4
69.58959	1.3
70.06593	0.2
71.05017	0.2
71.08583	0.2
72.04496	0.5
79.01823	1.1
79.05490	0.2
81.03406	9.6
81.07046	0.3
82.03772	0.2
82.07380	0.3
84.04457	0.3
85.02901	0.4
89.07165	0.2
92.05791	0.3
93.05766	0.3
93.07046	0.2
95.01320	0.4
95.04955	0.3
96.05286	0.5
97.02887	0.2
99.04452	0.2
109.02859	42.8
110.03188	0.9
110.06052	0.4
110.06850	0.6
111.04443	0.2
112.01569	2.5
123.00790	0.2
124.07555	0.4
125.02324	0.5
125.05876	0.2
127.03899	6.5
128.06206	0.3
137.02309	4.8
138.02577	0.2
142.05772	0.2
142.08614	0.4
152.07121	0.2
155.03365	100.0
156.03685	2.6
170.05719	24.0
170.08110	0.8
170.09467	1.2
170.15358	0.2
171.06044	0.5
171.11671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
53.67715	0.2
55.01866	0.5
55.05508	0.5
59.04995	0.2
67.05495	0.3
68.05044	0.2
68.99787	0.4
69.03416	0.4
71.04993	0.3
72.04510	0.4
79.01851	1.3
79.05482	0.6
80.05013	0.4
81.03410	10.0
82.06600	0.4
83.08602	0.4
85.02911	0.5
89.07139	0.4
92.04983	0.5
93.05784	0.6
93.07011	0.4
95.01326	0.5
96.04446	0.3
96.08105	0.5
97.02899	0.3
98.06043	0.4
98.20717	0.5
100.07613	0.3
106.06560	0.4
107.01303	0.4
109.02868	46.5
110.03206	1.1
110.06042	0.7
110.10474	0.3
111.04436	0.3
111.08053	0.2
112.01572	3.0
112.08364	0.3
115.05434	0.4
123.00768	0.4
124.07592	1.6
125.02340	0.5
127.03909	7.4
128.06223	0.9
128.07091	0.2
128.11536	0.3
134.06038	0.3
137.02327	5.3
138.02663	0.3
139.03938	0.3
142.03297	0.2
142.05794	0.3
142.08644	1.8
142.12230	0.2
143.04871	0.4
143.08557	0.7
152.07027	1.4
153.05399	0.2
155.03374	100.0
156.03729	2.6
156.09341	0.7
170.05728	22.4
170.08109	1.9
170.09628	2.4
171.04427	0.3
171.05984	0.7
171.08067	0.5
171.11708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01859	0.5
55.05498	0.6
67.05508	0.3
68.99778	0.4
69.03428	0.4
69.07062	0.4
70.06596	0.4
70.35390	0.5
70.35802	0.6
71.04987	0.2
72.04506	0.7
74.52341	0.2
79.01849	1.1
79.05485	0.3
80.04979	0.2
81.03405	10.8
81.07039	0.3
82.03707	0.3
82.06558	0.3
83.04945	0.3
83.08606	0.4
84.04472	0.2
84.08149	0.2
85.02892	0.5
86.09691	0.2
86.85402	0.2
89.07140	0.5
91.09354	0.2
92.04972	0.4
93.05779	0.8
93.07032	0.3
94.06521	0.2
95.01337	0.6
95.08598	0.3
96.08117	0.8
97.02874	0.5
98.06013	0.2
99.05550	0.2
107.01276	0.3
109.02860	46.5
109.10146	0.2
110.03184	1.2
110.06026	0.6
110.10479	1.0
111.00748	0.2
111.04408	0.4
111.08072	0.4
111.09196	0.3
112.01574	2.9
112.07656	0.4
112.08408	0.9
115.05418	0.3
123.00770	0.4
124.07545	1.2
125.02351	0.5
127.03899	7.1
127.11184	0.2
128.06194	0.6
128.07001	0.4
128.11523	0.7
134.06082	0.2
137.02315	4.5
139.03900	0.2
141.06931	0.4
142.05779	0.3
142.07594	0.3
142.08603	1.2
143.08553	0.7
146.96022	0.4
152.07047	1.0
155.03363	100.0
156.03716	2.7
156.09296	1.7
170.05719	22.3
170.08115	1.7
170.09613	2.2
171.04391	0.4
171.06012	0.5
171.08015	0.4
171.11603	1.2
171.14941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01856	0.6
55.05489	0.6
56.05010	0.2
56.96537	0.3
57.95910	0.2
67.05483	0.3
68.99767	0.4
70.06595	0.2
71.04970	0.3
71.47747	0.3
71.48092	0.4
72.04504	0.7
78.53123	0.3
79.01823	1.3
79.05494	0.4
81.03402	10.1
81.07036	0.5
83.08591	0.4
84.04510	0.3
85.02862	0.4
89.07138	0.6
92.04980	0.7
93.05775	1.0
95.04938	0.3
96.01650	0.6
96.08133	0.4
97.02866	0.4
98.06055	0.2
99.05596	0.3
109.02858	46.2
110.03222	1.3
110.06016	0.8
111.04419	0.6
112.01571	2.9
123.00769	0.6
124.01092	2.0
124.07579	1.2
124.08334	0.3
125.02299	0.6
127.03909	7.0
128.06190	0.4
128.07112	0.4
128.95079	0.3
137.02310	5.4
142.02170	0.6
142.07520	0.3
142.08607	1.2
143.08470	0.3
146.96202	0.3
152.07036	0.9
155.03360	100.0
156.03722	2.5
156.09241	0.6
157.01265	0.3
170.05716	21.6
170.07930	1.7
170.09364	2.4
170.11685	0.3
171.06081	0.9
171.08060	0.3
171.11707	0.3
171.14943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1221
Annotation	1,2-Campholide
Peak:m/z	Relative Intensity
55.01863	1.5
55.05496	3.4
57.03423	1.5
57.07072	10.0
59.04991	1.4
65.03926	1.1
67.05177	1.3
67.05498	15.8
69.03417	2.4
69.07063	7.2
69.39952	6.1
69.40369	2.9
71.04996	5.6
79.05463	1.8
81.03388	2.9
81.07040	7.3
83.04981	1.2
83.08623	5.2
85.02872	1.3
85.06519	1.0
91.05460	2.0
93.07027	6.2
95.04945	2.0
95.08616	2.1
105.07008	0.9
107.08558	3.1
109.02873	6.8
109.06526	2.1
109.10149	79.0
110.10485	2.4
111.00790	2.2
111.08070	100.0
112.08430	2.5
123.00759	1.6
123.04385	1.6
123.08064	1.9
123.11697	2.2
126.03126	3.0
127.03914	1.0
127.11182	92.4
128.11523	3.0
141.05481	9.3
141.06908	2.4
142.08598	1.4
151.11148	2.8
154.07808	1.0
155.03362	9.8
169.04936	3.1
169.06323	1.0
169.10049	2.1
169.10788	0.9
169.12216	9.8
170.05751	2.0
170.08081	1.3
170.09569	1.2
184.97372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.5
53.03946	0.7
55.01859	0.4
56.05017	0.3
56.96556	0.4
65.03938	1.1
65.13648	0.3
67.05495	1.6
68.08549	0.3
69.03413	0.3
69.07070	0.6
70.06595	0.7
70.92944	0.5
70.93299	0.8
71.05000	0.4
78.56500	0.3
79.05489	0.9
81.03415	1.2
81.07045	1.2
83.04988	0.5
91.05475	7.3
92.05003	0.4
93.05782	0.5
93.07039	0.6
95.04966	1.0
95.08600	0.9
96.08117	0.4
97.02892	0.6
99.04476	0.5
105.07009	0.5
107.08622	0.3
109.02852	1.7
109.06528	0.9
109.10181	0.6
110.03191	0.3
110.06024	0.6
111.00794	0.8
111.03782	0.4
111.04443	1.6
111.08145	0.4
112.99983	0.4
115.05435	3.6
117.06960	0.3
123.04440	0.8
123.08062	0.5
123.11663	0.7
124.07556	0.8
126.03121	1.5
127.03918	0.4
128.06216	11.1
128.07169	0.7
129.06998	10.7
141.05453	3.3
141.06979	67.5
142.07356	2.8
142.08633	0.7
145.06453	0.4
146.06804	0.4
151.07646	0.4
152.06122	1.9
153.06987	15.2
154.07767	56.8
155.03372	0.4
155.06079	0.4
155.08087	3.1
161.93227	0.3
165.07051	0.5
167.08559	4.4
168.09007	2.0
169.05154	2.2
169.10112	100.0
169.86861	0.3
170.08078	0.9
170.09515	2.2
170.10785	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93863	2.0
53.03934	7.0
55.01839	2.2
55.05497	4.5
56.05016	7.0
56.96553	52.3
57.03417	3.7
58.06584	3.0
59.06114	2.3
61.02898	5.1
65.03925	9.5
67.05485	11.7
67.92510	14.0
67.93545	2.3
68.05009	10.8
69.03421	16.1
69.04560	2.0
69.07053	8.8
70.02945	2.7
70.06577	11.7
70.95879	2.4
71.04978	4.4
71.31727	3.4
72.04501	3.7
72.93787	2.2
73.02905	5.3
73.06532	2.5
74.97600	4.3
79.05483	6.1
80.05001	9.0
81.03408	19.0
81.04534	3.6
81.07022	5.7
82.06577	11.3
82.94823	18.4
83.04964	4.0
83.06101	9.8
84.04475	12.5
84.08121	8.7
84.96017	3.3
85.02877	11.0
85.07642	3.1
86.06053	8.0
87.04420	3.5
91.05467	8.6
91.87327	2.3
93.07007	2.1
94.06546	20.8
95.04955	9.4
95.06075	6.3
95.08594	2.4
96.04462	4.7
96.08118	4.9
97.02876	12.9
97.06499	3.4
97.07635	9.5
98.06045	14.0
98.97561	5.7
99.04423	4.5
99.05482	2.7
99.09203	3.3
100.95838	4.1
106.06528	7.0
107.04910	3.2
107.08655	2.6
108.04453	7.9
108.08109	2.5
109.02863	31.4
109.07616	21.8
109.10124	2.8
110.03677	2.6
110.06014	9.7
110.08418	4.6
111.00787	7.4
111.04438	13.4
111.05548	3.5
111.09186	6.6
112.07611	6.7
116.92692	2.1
116.98589	5.8
119.01850	4.3
119.04934	6.7
121.01709	3.2
122.06008	14.6
122.09642	4.0
123.04414	5.6
123.05508	2.1
123.08066	4.4
123.09175	7.9
123.97424	13.9
124.03906	4.3
124.07582	9.5
124.08640	2.1
125.04590	3.3
125.05977	6.2
125.07095	4.5
126.03143	11.7
126.05491	12.7
126.06399	2.3
126.09037	2.1
126.10205	4.3
126.93759	7.2
127.03899	9.1
127.07584	2.0
127.08613	3.7
128.02301	6.0
128.07039	2.5
128.98615	3.0
133.02837	2.8
133.07556	5.7
134.06068	2.7
134.99640	3.7
137.02274	2.2
138.10184	3.0
140.00269	4.0
140.03387	3.9
140.07027	11.0
141.05450	28.7
144.94785	6.9
144.95847	7.7
144.98001	3.0
145.01692	5.7
145.03481	5.5
146.99574	5.1
149.01186	2.1
150.05481	40.5
150.06589	3.7
150.09099	3.5
150.10205	4.6
151.03854	7.3
151.06168	3.3
151.07494	8.7
151.08640	34.7
153.06955	4.7
154.02583	2.5
156.03297	30.2
162.95828	15.6
162.96945	2.3
162.99084	3.6
163.02750	11.1
163.04398	7.3
167.96370	2.5
168.02928	3.3
168.06500	38.6
168.07666	2.9
168.10091	4.2
168.11375	12.4
168.13689	3.0
169.04901	10.8
169.06924	2.0
169.09691	10.7
174.04358	100.0
181.03680	2.2
185.97408	4.4
186.04401	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02349	0.7
53.03937	3.1
55.01855	1.2
55.05504	12.0
56.54718	0.5
57.03438	0.5
57.07060	1.7
59.04996	3.2
61.05400	0.5
65.03928	1.0
66.36143	0.5
66.88115	0.5
67.05501	5.8
69.03423	3.0
69.07059	44.3
70.06590	0.5
70.07388	0.8
70.49710	1.1
77.03918	0.9
79.05482	18.8
80.05808	0.6
81.07047	11.6
83.04970	3.1
83.08618	2.4
91.05460	14.3
93.07030	82.3
93.60325	0.5
94.07359	1.5
95.04961	4.9
95.08598	11.6
97.06499	6.7
97.10133	1.5
98.06031	0.7
103.05454	2.6
105.07018	20.5
106.07854	0.7
107.04948	1.0
107.08580	4.3
109.06524	1.0
109.10142	1.0
111.04418	1.3
111.08099	0.6
111.11704	7.5
119.08553	3.9
121.01624	0.7
121.06489	1.5
121.10127	100.0
122.10490	2.8
123.08062	7.4
123.11688	0.8
131.08522	0.9
133.07599	1.8
139.07529	0.6
139.11162	2.9
149.02414	0.6
149.09599	16.4
150.10089	0.7
165.06961	0.9
167.03348	0.6
167.06987	2.2
167.08487	2.3
167.10655	32.5
168.10988	0.6
185.55904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03931	4.3
55.01858	3.4
55.05503	11.1
56.05025	0.7
56.63483	0.6
56.96556	1.6
57.03434	3.4
57.07072	2.0
57.57076	0.6
59.04987	2.7
59.06129	1.1
62.12976	0.5
64.72731	0.5
65.03929	1.6
67.05499	9.2
68.05029	1.0
69.03418	3.9
69.04528	1.0
69.07057	40.6
70.06595	1.0
71.01349	0.9
71.04984	1.8
71.14191	1.4
71.38886	0.6
78.04708	2.6
79.05010	1.1
79.05477	22.9
80.05022	1.1
80.05808	0.7
81.03413	2.8
81.07046	14.9
82.06563	1.6
83.04955	6.3
83.05335	0.6
83.06087	1.6
83.08601	2.5
85.02860	0.9
85.07646	0.7
86.06042	0.5
91.05466	17.0
93.07030	84.5
94.06552	1.5
94.07362	1.6
95.04947	8.1
95.08591	13.6
96.04473	0.7
97.02863	0.9
97.06509	9.4
97.07642	1.1
97.10149	1.7
98.98464	0.8
103.00685	0.7
103.05467	2.2
105.03409	0.8
105.04514	1.3
105.07011	21.7
106.04154	0.8
106.07803	1.7
107.04955	3.6
107.08572	16.7
108.04481	1.0
108.08941	0.8
109.02853	2.4
109.06534	3.8
109.07646	4.5
109.10126	2.0
110.07130	1.3
110.08416	0.8
111.04432	3.3
111.07336	0.9
111.08038	4.6
111.09216	1.6
111.11684	7.2
119.08549	4.3
121.01654	2.9
121.02856	1.7
121.06515	4.0
121.08378	2.4
121.10125	100.0
122.07126	2.7
122.10448	2.6
123.04386	3.6
123.08056	9.7
123.11719	1.4
124.05181	2.2
124.08661	1.4
125.05972	2.8
125.06950	0.7
125.08227	1.8
125.09612	3.2
126.05498	0.9
131.08563	2.7
133.07568	1.3
139.02716	1.7
139.07506	3.5
139.11169	4.4
140.03435	0.6
140.07077	0.7
143.96684	0.7
144.03262	2.3
149.02359	3.1
149.05963	1.8
149.08366	0.5
149.09592	15.0
149.13232	1.2
150.05460	1.1
150.06573	1.4
150.09096	2.0
150.10245	3.4
151.03888	0.8
152.04683	1.2
152.06146	1.9
165.06955	1.8
167.03418	3.7
167.05577	1.3
167.07008	17.1
167.08502	4.9
167.10640	33.7
167.12901	1.1
167.14310	2.1
168.06529	2.3
168.11195	1.0
168.13680	0.7
182.26320	0.8
183.03871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.81397	0.5
51.83170	0.6
52.22559	0.5
53.03939	2.8
55.01865	5.3
55.05506	3.1
56.05021	0.8
57.03421	1.4
59.06106	1.4
65.03925	1.5
67.05495	4.5
68.04990	1.4
69.03418	2.1
69.04568	0.6
69.07057	2.4
69.94464	2.7
70.06572	1.1
71.04964	0.9
74.28672	0.6
75.96110	0.6
77.03842	0.6
79.05484	46.2
80.05013	0.8
80.05795	1.6
80.29186	0.6
81.03394	1.6
81.04550	0.8
81.07047	6.3
82.06551	2.0
83.04972	2.8
83.06089	1.4
83.08610	0.7
84.04462	0.6
84.08125	0.8
85.02905	0.6
91.05468	15.7
93.07033	73.6
94.06554	0.6
94.07372	1.3
95.04952	5.9
95.06046	0.9
95.08584	2.7
96.06825	0.6
97.02876	0.8
97.06522	1.9
97.07618	0.7
97.10143	0.7
98.06041	1.0
98.09666	0.5
103.05450	0.9
105.04505	0.9
105.07020	15.8
107.04944	2.2
107.08581	100.0
108.08135	0.6
108.08923	2.1
109.02867	1.5
109.03997	0.8
109.06504	3.3
109.07616	3.7
110.07175	1.2
110.08418	1.1
111.04446	2.5
111.08054	2.2
111.09179	1.9
119.06073	0.9
119.08576	1.9
121.01628	1.4
121.02891	1.3
121.06484	3.7
121.10131	64.0
122.05987	0.7
122.07146	1.8
122.10464	2.1
123.04423	1.8
123.08072	3.4
123.11697	0.9
124.05219	1.3
124.08709	1.2
125.05963	2.2
125.08202	0.9
125.09653	1.0
126.05524	0.6
126.06641	0.7
127.07489	0.8
131.08562	3.6
139.02707	1.0
139.03880	0.7
139.07561	1.8
139.11189	1.4
140.07130	0.7
149.02351	2.5
149.05972	0.8
149.09599	24.1
150.05492	1.2
150.06580	1.0
150.10219	4.2
152.04756	0.8
152.06163	0.9
167.03394	2.4
167.07053	8.9
167.08363	1.2
167.09370	1.2
167.10632	5.8
167.12904	0.8
167.14307	0.7
168.06522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02364	0.6
51.27742	0.3
52.51175	0.3
53.03930	2.7
55.01864	1.1
55.05506	3.9
56.05014	0.5
56.96547	0.7
57.03445	2.5
57.07087	0.6
59.04996	1.0
59.06121	0.7
65.03917	0.6
67.05497	3.1
68.05027	0.8
68.99779	0.5
69.03426	1.9
69.07073	2.5
70.06568	0.5
71.04972	1.0
71.07365	0.4
71.10246	0.9
75.04472	4.5
77.03931	0.6
78.04707	1.5
79.05015	0.7
79.05486	15.0
80.05814	0.6
81.03412	1.0
81.07048	13.4
82.06571	1.0
83.04965	2.1
83.06110	0.6
83.08620	1.1
84.08160	0.6
85.02872	0.5
87.04473	1.4
91.05470	15.3
92.05811	0.5
93.07034	100.0
94.06545	0.7
94.07366	2.3
95.04961	6.1
95.08595	5.4
97.06518	2.8
97.07636	0.8
97.73379	0.4
103.05450	1.2
105.04504	1.2
105.07022	13.2
106.04109	0.4
107.04949	1.4
107.08582	12.5
109.02877	1.2
109.06505	7.3
109.07609	2.3
109.10124	0.4
110.07163	0.8
110.08413	0.9
111.04436	2.6
111.08071	26.9
111.09260	1.3
112.08389	0.4
116.06213	0.4
119.08561	2.5
121.01640	1.5
121.02924	0.5
121.06485	2.0
121.10131	78.4
122.06020	0.5
122.07131	1.5
122.10454	2.5
123.04438	2.1
123.08058	5.0
123.08940	0.6
123.11692	2.3
124.05199	0.5
124.08639	0.6
125.05986	3.6
125.09623	2.9
129.06990	0.4
131.08600	2.4
133.07605	0.9
139.02716	1.0
139.03876	0.7
139.07530	1.2
139.11166	4.5
140.11496	0.4
144.03244	0.9
149.02345	1.6
149.05978	1.1
149.09602	7.8
149.13333	0.5
150.06625	0.8
150.10214	3.0
150.58237	0.4
152.04663	0.4
152.06210	0.5
162.96825	0.5
167.03461	1.9
167.05730	0.2
167.07051	8.7
167.08401	0.7
167.09222	1.1
167.10652	8.8
167.12907	0.9
167.14287	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02373	0.4
51.87276	0.2
53.03931	1.1
54.03445	0.3
54.97986	0.2
55.01857	0.5
55.05495	1.0
56.05021	0.5
56.96547	0.5
57.03422	0.3
59.06113	0.4
61.37376	0.2
64.03023	0.2
65.03925	0.8
65.42195	0.2
66.04697	1.1
66.60907	0.3
67.05511	1.3
68.05019	0.8
68.99781	0.3
69.03409	0.5
69.04548	0.3
69.07053	0.5
70.02881	0.7
70.03291	0.5
70.06576	1.0
71.04978	0.3
72.08161	0.4
77.03937	0.5
77.35432	0.2
78.04704	15.3
79.05084	0.3
79.05486	6.7
80.04977	0.4
81.03417	1.2
81.04514	0.5
81.07050	1.9
82.04195	0.4
82.06557	0.9
83.04963	0.7
83.06091	0.7
84.04489	0.2
84.08118	0.6
85.02875	0.5
85.07641	0.4
91.05457	1.6
93.03371	0.6
93.07043	2.3
94.04150	1.0
94.06560	0.6
95.04963	3.5
95.06055	0.4
95.08575	0.3
96.05750	1.5
96.06878	0.3
97.02849	0.3
97.06514	0.7
97.07641	0.9
98.06075	0.3
98.07175	0.4
103.05476	0.4
105.03365	1.0
105.04494	0.3
105.07021	0.5
106.04164	6.1
107.04965	3.5
107.08591	1.9
109.02880	2.2
109.06531	1.3
109.07632	3.3
109.10158	0.3
110.06033	0.4
110.07160	0.5
110.08445	1.2
111.04424	0.6
111.08028	0.5
111.09235	1.5
121.01653	0.9
121.02859	1.4
121.06522	1.6
121.07374	0.2
121.07513	0.2
121.08412	0.6
121.10119	1.4
122.03644	1.4
122.06071	0.4
122.07116	0.9
123.04419	27.6
123.09156	0.6
124.05219	8.8
124.08684	0.9
125.06017	0.7
125.07076	0.4
126.05499	0.3
131.08516	0.3
134.03596	1.4
135.04387	1.3
137.02315	0.5
137.05962	1.1
138.03110	0.7
139.03871	0.4
139.07552	0.6
140.07079	0.3
140.11778	0.3
144.03215	0.7
148.75722	0.2
149.02341	0.8
149.05946	0.8
149.09567	0.6
150.05496	0.5
150.06586	0.3
150.10236	2.7
151.03894	5.7
152.04672	5.7
153.05070	0.4
167.07024	100.0
167.12924	0.8
168.04184	0.6
168.07396	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.4
53.03935	12.1
55.01861	4.7
55.05502	6.6
56.96568	1.0
57.03412	1.7
59.04997	1.2
65.03925	11.5
65.30206	1.0
66.01057	2.6
67.05493	6.3
68.02635	9.3
68.99770	2.8
69.03410	5.2
69.07052	9.3
70.00080	4.7
71.04968	2.7
77.00271	1.5
79.01842	10.8
79.05483	12.8
81.03407	87.2
81.07046	8.0
82.03732	1.0
83.04972	17.6
83.08614	2.4
84.96017	2.1
91.05468	5.4
93.07032	20.2
94.00516	1.4
95.04952	4.5
95.08614	5.9
96.02081	1.2
96.62271	0.9
97.02870	3.5
97.06509	4.6
98.98433	1.0
103.05435	1.2
105.07007	4.3
107.01297	11.0
107.04926	2.6
107.08588	12.3
108.04446	1.1
109.02865	100.0
109.06498	3.7
109.10126	2.0
110.03147	1.2
111.04430	12.6
111.08064	4.5
116.10281	1.0
119.08588	1.3
121.01650	9.7
121.02829	2.5
121.06513	3.6
121.10128	19.1
121.99342	1.1
122.06026	1.7
123.04429	2.5
123.08021	1.9
123.11710	1.9
124.01556	3.9
124.05173	2.1
125.05978	2.2
125.09599	2.3
126.05528	1.2
127.03922	5.8
131.08519	1.4
137.02327	18.5
139.02675	4.2
139.03780	2.1
139.07487	3.6
139.11189	1.7
140.00406	1.3
140.03326	1.2
143.96631	2.0
143.98555	1.2
144.03206	6.0
145.00908	1.3
149.02325	4.9
149.06029	2.4
149.09573	4.1
149.13232	1.4
150.05423	1.8
152.04625	1.1
152.06187	1.6
153.06921	1.3
155.03394	9.9
161.55241	1.1
162.04298	2.1
163.01952	1.2
165.01794	1.1
165.06923	1.6
167.03391	31.4
167.04807	2.3
167.07016	12.7
167.08502	6.6
167.10678	11.8
167.14355	4.6
168.06549	2.4
186.40826	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0861
Annotation	5-(3-Pyridyl)-2-hydroxytetrahydrofuran
Peak:m/z	Relative Intensity
50.43218	0.4
53.03946	0.7
55.01865	1.3
55.05497	1.4
56.05839	0.6
56.96560	0.9
59.90330	0.4
61.66099	0.5
65.03926	0.9
67.04240	3.2
67.05494	4.3
68.05028	0.7
68.05824	1.3
69.03410	1.3
69.07054	1.0
70.06573	1.2
79.05491	3.5
80.05010	7.2
81.03391	1.1
81.05785	12.0
81.07043	2.2
82.06567	82.7
83.04967	1.0
83.06900	1.4
83.93032	2.0
84.96045	0.4
87.04478	0.8
91.05457	3.2
92.04967	0.6
92.05787	1.2
93.07028	6.0
94.06546	3.3
94.07349	0.4
95.04957	9.8
95.07345	2.0
95.08575	1.4
96.05282	9.5
96.08128	0.8
96.08884	0.6
97.02870	0.9
97.06517	0.8
102.02233	0.5
103.05443	3.0
105.05730	0.8
105.07006	0.7
106.06560	0.5
106.07355	1.1
107.04919	1.1
107.08565	3.1
108.04440	1.3
108.08099	1.4
108.08939	1.6
109.05244	0.6
109.06507	1.9
109.10123	1.0
110.06017	1.1
110.06847	1.8
110.09672	24.1
110.10425	2.0
111.04414	0.6
111.10011	0.5
115.96373	0.5
116.97213	0.7
118.06520	0.7
119.01923	0.9
119.07304	0.5
119.95079	0.7
120.01963	2.2
120.03287	0.6
120.04462	0.6
120.05247	0.8
120.08090	19.0
120.08855	1.0
121.01615	1.1
121.02864	0.6
121.06483	2.3
121.07539	0.4
121.10138	2.0
122.06010	2.2
122.06864	0.4
123.04414	0.9
123.06767	1.2
123.08074	0.6
123.11727	0.5
124.03924	0.6
124.08665	0.6
125.02332	0.7
125.05949	0.9
125.09640	0.5
131.64276	0.4
136.07547	2.3
137.05812	0.4
137.08350	0.6
137.09511	0.6
138.03026	1.3
138.05440	3.9
138.09087	5.6
138.09975	4.1
139.02760	0.5
139.03867	0.6
139.07501	0.5
139.09505	0.5
142.96663	6.1
143.00163	0.7
143.03604	1.7
143.96684	0.7
144.03232	0.5
148.03772	0.6
148.04750	1.4
148.07510	4.2
148.08501	0.6
148.12080	2.0
149.02286	1.5
149.05876	0.4
149.09659	0.7
150.05501	3.9
151.06274	3.5
160.96121	0.4
161.01175	0.6
161.04575	0.6
164.07010	0.8
165.98273	1.0
166.04887	4.6
166.08606	100.0
166.13104	6.9
167.03365	0.9
167.07062	2.5
167.08896	3.4
167.10623	1.3
189.17293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
52.56259	0.2
55.05508	3.5
57.03418	0.3
61.14069	0.3
61.51059	0.2
65.03938	0.3
67.05499	2.5
68.28043	0.2
69.03418	0.5
69.07062	2.6
69.58101	2.0
71.04986	0.3
79.05483	2.0
80.05016	0.3
81.03419	1.9
81.07045	5.3
83.04977	0.7
83.08614	2.4
85.06532	0.4
91.05471	2.7
93.07035	2.4
95.04958	100.0
95.08596	3.1
96.05297	2.6
97.06535	0.4
101.00858	0.2
105.07010	4.0
107.04958	0.4
107.08584	9.3
108.04462	0.3
109.06507	17.9
109.10149	1.5
119.01911	2.5
119.04936	1.9
119.08575	3.3
120.02021	0.4
120.08083	1.5
121.06474	0.3
121.10117	1.9
122.07241	0.5
123.04415	0.5
123.08068	1.0
123.11716	1.4
135.03284	0.2
137.02953	0.6
137.06001	1.1
137.09596	2.0
137.13245	1.0
139.63634	0.2
142.03493	2.0
142.96692	0.9
147.04385	3.2
147.08046	0.5
147.11676	8.2
148.12000	0.3
160.04552	0.6
165.05611	1.3
165.09077	3.1
165.12740	46.5
166.04956	0.5
166.08643	0.9
166.09850	0.3
166.13065	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
50.11612	0.4
53.03937	1.4
55.01862	1.3
55.05502	6.1
57.03428	1.0
59.04988	0.4
62.24467	0.4
63.79292	0.4
65.03934	1.4
67.04243	0.8
67.05497	24.4
68.05836	0.5
69.03426	2.2
69.07060	3.9
69.43839	2.2
69.44275	1.9
70.06590	0.5
71.04985	1.3
79.05479	6.7
80.05012	3.0
81.03413	9.6
81.04520	0.6
81.05788	4.6
81.06590	0.8
81.07047	12.4
82.06570	30.1
83.04968	2.3
83.06094	0.6
83.08622	2.6
83.93012	0.6
85.02901	0.6
85.07654	0.4
86.47732	0.4
91.05470	13.2
93.07035	7.8
94.04144	0.4
94.06551	1.0
95.04956	100.0
95.07339	1.2
95.08590	8.6
96.04676	0.5
96.05273	3.5
97.02848	0.7
97.06491	0.8
97.07625	0.7
98.21472	0.9
101.00864	1.4
103.05457	2.0
105.03402	0.6
105.07015	7.0
107.04969	1.0
107.06049	0.9
107.08579	15.1
108.04461	0.6
109.02855	0.9
109.06503	22.4
109.10141	20.7
110.06841	0.8
110.09678	9.2
110.10421	0.6
117.07018	1.2
119.01901	11.0
119.04922	6.8
119.08567	9.8
119.95133	0.7
120.02050	0.5
120.08098	6.9
120.08880	0.4
121.06489	1.6
121.10123	3.5
122.06030	0.8
122.07178	1.5
122.10514	0.5
123.04412	1.7
123.06732	0.7
123.08048	3.0
123.11715	1.4
124.08717	1.0
125.09496	0.4
133.02788	0.8
136.07574	0.7
137.02992	5.0
137.05975	3.8
137.09599	37.3
137.13220	1.2
138.03038	0.7
138.05460	1.8
138.06442	0.5
138.09079	1.4
138.09999	2.0
142.03484	9.2
142.96693	2.9
143.03596	0.8
144.70190	0.4
147.04382	12.6
147.08009	2.3
147.11670	9.7
148.04770	0.6
148.07530	1.5
148.08621	0.9
150.05487	1.1
151.06265	1.2
160.04543	2.9
165.01830	1.4
165.04153	0.4
165.05571	4.2
165.07684	2.2
165.09052	9.8
165.12733	48.9
165.98289	0.4
166.04971	2.4
166.08609	37.6
166.13106	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0908
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03948	0.8
55.01868	1.5
55.05502	6.0
56.05033	0.3
57.02441	0.3
57.03422	0.9
58.06591	0.4
59.05006	0.4
60.34271	0.3
61.02453	0.2
65.03936	1.9
67.05495	49.2
68.05026	0.6
68.05833	0.9
68.69839	0.3
69.03418	1.8
69.07054	2.9
70.06570	0.8
71.04995	0.4
71.30431	0.8
77.03936	0.4
79.05486	5.7
80.05006	0.5
81.03416	2.3
81.04521	0.5
81.07046	18.2
82.06552	0.4
82.07371	0.3
83.04962	2.0
83.06086	0.5
83.08589	0.3
83.93031	0.5
85.06540	0.3
87.04457	0.4
91.05464	10.7
92.05812	0.3
93.07030	8.1
94.04160	0.4
95.04958	15.6
95.08596	11.6
96.08962	0.4
97.07658	0.4
101.00870	0.8
103.05468	1.0
104.06248	0.4
105.03379	0.5
105.07017	3.7
107.04926	1.0
107.06104	0.8
107.08579	5.9
107.61584	0.3
109.02883	0.5
109.06500	7.2
109.10141	57.2
110.10439	1.8
111.04443	0.3
111.09211	0.5
117.07024	1.7
119.01907	6.6
119.04932	4.6
119.08565	10.4
120.02102	0.3
120.08099	2.9
120.08872	0.5
121.06480	0.5
121.07563	0.4
121.10133	2.5
122.03670	0.3
122.07178	1.2
123.04399	1.4
123.06673	0.4
123.08072	2.3
123.11682	1.1
124.05154	0.5
124.08702	1.3
125.02282	0.3
127.07503	0.3
132.05652	0.3
133.02823	0.5
136.07570	0.4
137.02959	3.3
137.06053	2.6
137.09595	100.0
137.68875	0.3
138.05510	0.5
138.06560	0.4
138.09956	2.6
138.45900	0.3
142.03500	4.3
142.96713	1.4
147.04393	6.8
147.08037	1.9
147.11678	1.7
148.04910	0.4
148.08636	0.7
157.64754	0.3
160.04564	1.6
165.01775	0.7
165.05536	3.4
165.07635	1.4
165.09038	7.6
165.11357	1.5
165.12733	3.5
166.04977	1.1
166.08568	1.8
184.31665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0908
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03951	1.4
55.01867	1.0
55.05500	6.6
57.03427	1.0
61.76204	0.4
65.03942	2.1
67.05495	51.0
68.05034	0.4
68.05823	0.9
69.03419	1.9
69.07066	4.1
70.06564	0.8
70.94279	0.5
70.94611	0.8
71.04967	0.5
79.05480	6.2
81.03404	5.6
81.07044	19.2
82.06571	0.5
83.04971	1.7
83.06086	0.6
91.05463	11.2
93.07034	8.6
93.07552	0.2
95.04952	16.7
95.08595	13.6
96.05804	0.5
96.08858	0.4
101.00867	0.8
101.02521	0.4
103.05473	1.2
104.25095	0.3
105.07021	3.8
107.04919	0.9
107.06076	0.8
107.08574	7.6
109.02881	0.9
109.06508	7.9
109.10140	56.0
110.10498	1.4
117.06986	1.8
119.01900	9.6
119.04924	5.4
119.08559	11.1
120.01990	0.5
120.08078	3.2
121.06523	1.1
121.10165	2.0
122.07212	1.3
123.04391	1.9
123.06670	0.4
123.08069	3.7
123.11689	0.6
124.08686	0.9
127.07573	0.5
133.02867	0.5
137.02986	3.8
137.06049	2.4
137.09593	100.0
138.05528	0.4
138.09944	3.3
142.03481	5.3
142.96686	1.3
145.66470	0.4
147.04384	8.5
147.05556	0.6
147.08000	2.9
147.11662	1.9
148.04729	0.4
148.08672	1.0
160.04544	2.3
165.01831	1.0
165.04300	0.5
165.05505	3.9
165.07661	1.2
165.09077	8.7
165.11346	1.0
165.12738	4.0
166.04922	0.9
166.08658	1.2
176.96094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03947	1.8
53.85062	0.4
55.01873	1.3
55.05505	6.3
56.05022	1.0
56.96556	0.7
57.03432	1.0
58.06601	0.5
59.06109	0.6
65.03923	2.4
67.05496	47.8
68.05025	1.1
68.05829	0.9
69.03431	2.2
69.04538	0.5
69.07050	3.5
69.69492	2.8
70.06580	1.1
71.04980	0.4
73.53011	0.4
77.03906	0.5
79.05481	8.4
80.05014	1.0
81.03408	4.1
81.04525	0.5
81.07047	17.7
82.06580	0.7
82.07365	0.5
83.04969	2.6
83.06097	1.5
83.93066	0.5
84.08134	0.4
85.07669	0.6
91.05467	13.8
92.05810	0.8
93.06492	0.8
93.07037	8.6
94.04169	0.6
95.01221	0.4
95.04958	16.1
95.08596	12.6
96.04468	0.4
97.02847	0.7
97.07658	0.8
101.00880	1.3
103.05465	1.2
105.04510	0.4
105.07016	4.9
107.04930	1.3
107.06080	1.4
107.08583	6.5
108.05647	0.4
109.02911	1.1
109.06503	7.1
109.07645	1.0
109.10144	56.1
110.10490	1.8
117.06996	2.1
119.01902	8.2
119.04937	5.6
119.07717	0.7
119.08572	13.2
120.01971	0.7
120.08109	4.0
120.08890	0.8
121.06479	1.2
121.07619	0.8
121.10128	1.5
122.03674	0.7
122.07173	1.8
123.04438	2.0
123.08088	2.4
123.11600	0.6
124.08729	2.1
125.09481	1.0
127.07636	0.6
133.02815	0.7
135.04369	0.6
136.07593	0.9
137.03001	2.7
137.06050	3.0
137.09598	100.0
138.03101	0.5
138.05537	0.6
138.09961	3.5
142.03482	5.1
142.96692	1.8
147.04396	9.4
147.08023	3.0
147.11621	1.3
148.08649	2.1
160.04517	2.3
165.01817	1.0
165.05470	10.3
165.07664	1.2
165.09079	8.0
165.11324	3.0
165.12741	2.9
166.08606	1.4
166.09810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	(2E,4E,6E)-2,6-Dimethylocta-2,4,6-trienedial
Peak:m/z	Relative Intensity
51.02369	0.4
53.03943	3.7
55.01865	2.5
55.05500	1.3
56.05024	0.5
57.03421	0.7
59.06126	0.3
65.03926	0.6
67.05493	6.0
68.05019	0.9
69.03425	1.0
69.07060	0.9
70.06577	0.9
71.04961	0.3
71.73663	0.4
79.05485	3.9
80.05000	0.7
81.03407	100.0
81.07042	3.0
82.03732	1.8
82.06561	0.4
83.04962	1.8
83.06084	1.0
85.02898	0.6
85.07647	0.3
91.05470	17.0
92.05815	0.6
93.07031	7.7
94.06558	0.3
94.07343	0.3
95.01265	0.3
95.04953	4.4
95.06065	0.5
95.08597	4.0
97.02858	1.7
97.06541	0.4
97.07632	0.7
97.29751	0.3
101.00859	1.0
101.01489	0.3
103.05463	1.9
105.03386	0.3
105.04521	0.3
105.07014	2.4
107.04932	0.7
107.06074	0.8
107.08607	0.6
109.02853	0.7
109.06538	1.8
109.07635	0.5
109.10153	1.7
111.04421	0.6
111.09179	0.3
111.51656	0.3
114.19046	0.2
117.06999	1.4
119.01919	4.5
119.04919	3.8
119.08569	10.7
120.02071	0.3
120.05447	0.3
120.08096	3.4
120.08887	0.3
121.06498	9.4
121.07467	0.5
122.07129	0.8
123.04374	1.2
123.08052	4.6
124.08689	0.8
125.09504	0.3
129.05487	0.3
129.06998	1.0
132.05701	0.3
133.02867	0.5
135.08022	0.4
136.07637	0.3
136.08806	0.2
137.02989	1.5
137.05989	1.7
137.09599	11.4
138.09964	0.5
142.03477	2.6
142.96700	0.7
147.03281	0.5
147.04390	6.6
147.05551	0.4
147.08046	3.3
147.11664	0.4
148.04825	0.3
148.08647	0.8
150.49788	0.2
160.04532	0.6
160.05743	0.2
165.01857	0.4
165.05466	1.7
165.09097	17.5
165.11137	1.3
165.12723	0.8
166.04898	0.5
166.08492	0.5
166.09717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	(2E,4E,6E)-2,6-Dimethylocta-2,4,6-trienedial
Peak:m/z	Relative Intensity
50.23268	0.3
51.26569	0.3
53.03942	3.6
55.01863	4.1
55.05515	1.5
56.05031	1.0
56.96549	0.4
57.03434	0.6
58.06599	0.4
65.03911	0.7
67.05499	7.8
68.05026	2.1
68.99790	0.4
69.03426	1.6
69.04545	0.3
69.07067	2.1
70.06588	1.7
70.99594	0.9
71.01376	0.5
71.04976	0.9
71.06130	0.3
77.03922	0.7
79.05484	6.2
80.05000	1.3
81.03410	100.0
81.07040	5.1
82.03728	1.6
82.06559	1.2
83.04968	1.8
83.06087	2.4
83.93012	0.4
85.02892	1.0
85.07656	1.2
91.05473	33.3
92.05806	1.0
93.07037	10.3
94.04164	0.5
94.06567	0.7
95.01315	0.7
95.04958	5.5
95.06077	1.3
95.08598	4.8
96.04526	0.3
97.02869	3.5
97.06448	0.5
97.07668	0.9
98.01302	0.4
98.07172	1.1
98.73860	0.4
101.00878	1.0
103.05443	3.4
105.03379	0.5
105.04510	0.6
105.07018	12.2
107.04941	1.5
107.06087	1.4
107.08572	0.9
108.04493	0.6
108.05608	0.5
108.08072	0.3
109.02877	0.8
109.06522	2.9
109.07630	1.6
109.10135	3.0
110.06014	0.6
110.07172	0.8
111.04453	0.6
111.09206	1.0
117.06995	2.7
119.01913	9.8
119.04933	12.6
119.08567	21.6
120.02062	0.4
120.05359	0.4
120.08104	5.1
120.08906	0.9
121.06496	13.6
121.07582	1.2
121.10138	0.7
122.03660	0.6
122.07117	1.9
123.04425	2.3
123.08060	4.8
124.05135	0.4
124.08670	2.2
125.07099	0.7
125.09484	1.2
129.06987	0.9
133.02863	0.8
133.06471	5.7
135.08028	0.8
136.07549	0.7
136.08676	0.6
137.02988	3.3
137.05969	7.7
137.09602	14.7
138.05493	0.9
138.06461	0.4
138.09096	0.4
138.10225	1.5
142.03488	4.9
142.96678	1.2
143.03598	0.7
147.04395	25.4
147.08031	6.2
147.11656	0.5
148.04752	0.8
148.07556	0.6
148.08650	2.5
150.06740	0.7
160.04510	1.7
165.01761	0.6
165.05516	3.5
165.07745	0.9
165.09099	22.6
165.11206	3.0
165.12761	1.1
166.04980	1.2
166.08492	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	hinokitiol
Peak:m/z	Relative Intensity
51.02390	0.5
53.03945	1.7
55.01868	1.8
55.05503	7.9
56.05035	0.5
56.05837	0.4
56.96567	0.7
57.03444	0.6
57.07061	0.5
65.03931	2.3
66.04709	0.7
67.03008	0.6
67.05497	44.5
68.05051	0.6
68.05820	1.2
69.03422	3.6
69.07056	5.6
69.62029	1.8
69.62451	1.7
70.06585	1.4
71.04997	0.8
77.03893	0.6
79.05481	9.0
80.05007	2.1
81.03409	12.0
81.04528	0.8
81.05785	3.1
81.07047	23.5
82.06570	19.8
83.04964	3.2
83.06054	0.5
83.08622	2.9
83.93044	0.9
85.06514	0.6
91.05475	21.1
93.07030	11.4
94.06575	1.1
95.01347	0.8
95.04958	100.0
95.08595	15.6
96.05299	1.9
96.08974	0.6
97.02866	0.5
97.06550	0.7
97.07614	0.5
98.20763	0.8
101.00874	1.8
101.02487	0.5
103.05468	1.9
105.03399	0.9
105.07023	9.7
107.04936	2.0
107.06059	0.6
107.08584	17.7
108.04489	1.1
109.02898	0.7
109.06507	24.6
109.10148	45.1
110.06821	0.4
110.09671	6.7
110.10461	1.3
117.07015	2.1
119.01914	13.4
119.04932	11.1
119.08566	15.9
120.02055	0.6
120.05301	0.9
120.08096	6.5
120.08897	0.7
121.06504	2.3
121.10136	5.1
122.03612	0.8
122.06029	1.2
122.07176	2.0
123.04404	2.7
123.06696	1.1
123.08071	4.4
123.11750	2.2
124.08653	1.3
127.07522	0.5
133.02826	1.3
136.07556	0.8
137.02983	7.1
137.06009	5.4
137.09602	81.4
138.05478	1.4
138.06445	0.5
138.09061	1.4
138.09984	3.1
142.03499	8.6
142.96658	2.5
146.68176	0.5
147.04399	17.0
147.08047	2.7
147.11664	11.6
148.04875	0.8
148.07593	0.9
148.08670	1.6
150.05504	0.8
151.06284	0.9
160.04536	3.5
165.01805	1.9
165.05579	5.9
165.07697	2.2
165.09076	13.1
165.11423	2.2
165.12733	45.7
166.04939	2.2
166.08606	27.9
166.13091	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02370	0.2
53.03934	1.0
55.01852	0.6
55.05500	0.5
56.05023	0.8
56.96552	0.4
57.03431	0.4
57.04553	0.2
58.06592	0.4
59.06123	0.3
64.41286	0.2
65.03922	2.1
67.02976	0.2
67.05499	2.7
68.05020	1.3
69.03419	0.8
69.04527	0.3
69.07064	0.5
70.06579	1.3
70.55536	0.4
71.04968	0.3
77.03912	0.4
79.05480	2.2
80.05009	1.0
81.03408	6.5
81.04501	1.0
81.07048	2.7
82.06581	1.0
83.01337	0.2
83.04979	0.6
83.06089	1.7
83.93027	0.3
85.07650	0.7
91.05466	31.4
92.05791	0.8
93.04491	0.2
93.07031	2.1
94.04207	0.3
95.04962	3.5
95.06078	0.9
95.08586	1.7
97.02873	0.3
97.04038	0.3
97.06504	0.2
97.07654	1.2
98.07177	0.5
98.21461	0.2
101.00853	0.8
103.05473	0.9
105.04542	0.3
105.07019	2.8
107.04945	0.5
107.06048	1.2
107.08559	1.3
108.04478	0.3
108.05636	0.4
109.02847	0.3
109.06509	1.7
109.07623	0.8
109.10134	2.1
110.07136	0.4
111.04465	0.3
111.05566	0.3
111.09167	0.4
117.06985	0.4
119.01916	8.3
119.04924	55.3
119.08555	4.0
120.05222	1.6
120.08093	2.7
121.06536	1.1
121.07609	0.7
121.10122	1.1
122.03630	0.2
122.07170	1.7
123.04424	2.0
123.05324	0.3
123.06634	0.2
123.08039	1.9
123.11699	0.5
124.02453	0.2
124.04013	0.2
124.05091	0.3
124.08717	2.0
125.05916	0.2
125.09505	0.8
129.06975	0.2
133.02849	0.8
133.06390	0.3
136.07515	0.2
137.02954	4.2
137.05952	3.1
137.09592	3.2
138.03078	0.3
138.05504	0.4
138.06551	0.4
138.10245	0.6
142.03479	5.0
142.96640	1.1
143.03563	0.2
147.04385	100.0
147.07988	1.5
147.11630	1.1
148.04758	3.3
148.07516	0.4
148.08641	2.3
150.06682	0.3
160.04523	2.0
160.52298	0.2
162.74232	0.2
165.01811	0.9
165.05482	4.2
165.07661	0.9
165.09039	3.2
165.11327	2.5
165.12752	2.3
166.04976	0.7
166.08586	1.0
166.09792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.3
53.03941	1.0
54.03467	0.3
55.01860	1.1
55.05518	1.0
56.05015	1.5
56.96548	0.6
57.03428	0.6
57.04548	0.4
58.06586	0.9
58.11209	0.2
59.06102	0.5
65.03927	2.3
67.02997	0.2
67.05492	4.4
68.05016	1.5
69.03413	1.0
69.04546	0.4
69.07079	0.5
70.06580	2.4
70.23536	0.6
71.04978	0.4
71.06098	0.3
77.03893	0.3
79.05476	3.5
80.05005	1.7
80.94947	0.3
81.03407	19.5
81.04489	1.7
81.07042	3.7
82.05300	0.4
82.06567	1.5
83.04976	0.9
83.06092	2.9
83.08624	0.3
83.93042	0.4
85.02901	0.4
85.06541	0.3
85.07640	0.7
86.08434	0.4
91.05465	34.5
91.83394	0.2
92.05804	0.9
93.07034	3.4
94.04160	0.4
95.04960	5.3
95.06058	1.2
95.08599	2.9
97.02885	0.6
97.06563	0.3
97.07637	1.3
98.07168	0.7
98.97598	0.3
101.00859	1.3
103.05466	1.4
103.65285	0.2
105.03392	0.7
105.04538	0.3
105.07017	4.9
107.04945	1.0
107.06055	2.2
107.08572	1.8
108.05611	0.4
108.06837	0.3
109.02811	0.3
109.04017	0.3
109.06509	1.7
109.07612	1.4
109.10136	2.9
110.07149	0.9
110.07833	0.2
111.09185	0.8
116.83188	0.3
116.98631	0.3
117.07003	0.9
119.01910	11.9
119.04923	55.1
119.08561	7.9
120.01933	0.3
120.05209	1.8
120.08089	4.3
121.06507	2.9
121.07549	1.3
121.10112	1.1
122.03661	0.5
122.07147	2.7
123.04423	2.7
123.08041	2.5
123.11656	0.4
124.02457	0.3
124.04003	0.2
124.05094	0.3
124.08705	3.1
125.07063	0.4
125.09494	1.4
129.06970	0.5
133.02800	1.0
133.06412	0.5
135.08029	0.5
136.08702	0.4
137.02965	5.8
137.05966	3.9
137.06999	0.5
137.07999	0.3
137.09596	5.7
138.03064	0.4
138.05492	0.7
138.06589	0.7
138.09209	0.2
138.10216	1.1
142.03484	8.3
142.96657	1.5
143.03587	0.3
147.04385	100.0
147.08022	2.3
147.11647	1.6
148.04759	3.3
148.07526	0.4
148.08638	3.0
160.04526	3.4
165.01781	1.0
165.04289	0.3
165.05508	4.9
165.07655	1.4
165.09061	6.8
165.11331	3.7
165.12729	2.5
166.04939	1.1
166.08516	1.2
166.09853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.5
62.07761	0.3
65.92619	0.4
67.16891	0.3
69.03410	0.3
69.87541	1.4
70.44450	0.3
78.95242	0.3
79.07669	0.3
80.94965	0.8
82.01437	0.6
82.99816	1.5
90.84665	0.3
91.05469	0.7
95.04993	0.5
100.02490	1.6
101.00867	20.8
102.00946	1.0
118.03503	0.8
119.01904	100.0
120.02000	4.5
120.08085	0.8
121.02323	0.4
122.07182	0.3
123.04439	1.0
124.02420	3.8
124.93896	0.5
125.02544	0.5
128.83521	0.3
133.03487	0.4
137.02940	30.7
138.03030	1.6
142.03482	63.1
143.01880	0.3
143.03610	2.9
147.04390	0.6
151.15123	0.3
160.04536	18.4
160.95999	0.6
161.02908	0.5
161.04674	1.0
165.05078	2.1
166.05087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	0.3
57.03435	0.4
58.99860	0.6
77.00885	0.5
82.01466	0.3
82.99801	1.4
91.05444	0.4
95.04963	0.9
97.02862	0.4
98.20689	0.9
100.02484	1.1
101.00871	17.0
102.00925	0.6
102.05547	0.5
109.52728	0.3
115.02463	0.4
118.03523	1.2
119.01907	100.0
120.01970	4.1
120.08087	2.4
121.02351	0.6
123.04440	0.8
124.02446	3.3
131.01909	0.4
133.03490	0.6
137.02942	33.9
138.03070	1.7
142.03485	63.5
143.03583	2.6
145.03503	0.4
146.96504	0.3
156.05115	0.3
160.04541	19.5
161.03026	0.3
161.04607	1.1
163.42183	0.3
165.05089	2.9
165.49121	0.3
169.57491	0.3
177.19533	0.3
183.06136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30016	0.4
58.78370	0.4
61.66711	0.5
62.59255	0.4
68.65425	0.4
71.29082	0.9
76.69382	0.5
82.99834	1.5
90.45871	0.4
92.48619	0.4
100.02465	1.4
101.00869	22.0
102.00938	0.9
116.68003	0.4
118.03547	0.6
119.01908	100.0
120.01988	4.2
124.02438	4.5
126.93867	0.4
137.02946	33.3
138.03049	2.2
142.03487	64.2
143.03603	2.8
150.13350	0.5
153.01678	0.4
160.04547	18.0
160.88075	0.4
161.04778	1.2
163.32249	0.4
165.05052	2.7
168.98398	0.4
183.06075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.9
53.03709	0.7
53.03935	7.5
54.03455	1.2
55.01865	1.6
55.05502	11.6
56.96552	1.0
57.03413	1.2
57.06791	1.3
57.07067	22.2
59.04990	0.7
60.93106	0.6
61.02911	0.7
65.03922	1.9
67.05486	2.7
68.05006	2.1
68.99780	0.7
69.03409	2.8
69.04496	0.6
69.07066	4.8
71.73928	0.7
71.74319	0.8
72.08147	0.6
77.03894	1.2
79.05479	20.0
80.04996	1.9
81.03398	2.4
81.04514	2.9
81.07044	7.0
82.05292	2.4
83.04948	0.9
83.06093	1.0
83.08606	3.5
85.02881	1.9
87.57380	0.5
89.03904	10.4
89.06018	16.6
91.05467	13.6
92.02599	3.3
93.07032	14.9
94.06565	0.8
95.04955	18.3
95.06049	4.0
95.08589	3.6
96.06861	2.2
97.07626	1.5
100.02472	1.5
101.09641	2.1
102.96880	0.7
103.05454	15.5
105.03396	5.7
105.04490	4.1
105.07024	7.6
106.06544	0.8
107.04944	15.3
107.06086	2.0
107.07045	2.8
107.08576	24.7
108.05644	3.1
108.08142	0.7
109.06498	1.9
109.07644	1.5
115.05447	3.1
117.03381	6.7
117.07000	9.6
118.03510	1.2
118.06548	1.1
119.01894	0.8
119.04961	3.1
119.06036	2.0
119.08572	4.2
120.05568	2.1
121.06502	5.6
121.10131	11.1
121.96636	0.8
122.06120	1.0
122.07127	6.9
123.07951	3.8
130.06517	1.3
130.07758	2.3
131.04918	17.0
132.08051	2.0
132.28835	0.6
133.02829	19.8
133.06479	1.1
134.03117	0.8
135.04399	35.3
135.08041	8.3
135.11661	5.9
136.04771	1.5
136.07555	10.8
136.08664	5.3
138.02989	0.7
143.01910	0.7
145.02852	6.3
145.03914	1.5
145.06499	4.8
145.10092	9.5
146.05995	0.8
146.07114	1.8
148.08792	1.5
159.76508	0.6
161.02986	1.2
163.03883	100.0
163.07533	14.5
163.09758	12.4
163.11157	22.3
163.12285	1.4
163.14783	6.3
164.04388	4.4
164.05647	0.8
164.06927	5.0
164.08142	1.8
184.86850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1115
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02361	1.2
53.03942	5.4
55.01870	6.0
55.05515	3.3
56.96555	0.7
57.03412	1.9
57.81131	0.6
63.02359	1.3
65.03923	1.1
67.05496	7.2
68.99760	0.6
69.03416	3.3
69.07043	2.4
71.74059	0.7
71.74467	0.9
74.82335	0.6
77.03943	0.9
78.54269	0.6
79.05487	23.4
81.03410	2.6
81.07047	8.9
81.07487	1.2
82.05344	0.5
83.04955	1.0
83.08617	0.8
85.02890	0.6
87.01231	0.5
89.03909	35.7
90.04217	1.5
91.05468	13.3
92.02612	1.8
93.07036	21.0
95.04388	1.1
95.04960	13.1
95.06037	1.0
95.08586	7.2
100.02466	0.9
103.05451	7.7
105.03397	3.1
105.04504	2.4
105.07020	14.3
107.04947	19.0
107.08584	18.9
107.09316	0.9
108.04568	0.5
108.05272	1.0
109.06493	1.5
110.06071	0.5
115.05449	2.8
116.06211	0.8
117.03370	26.7
117.06996	12.0
118.03620	2.2
118.07401	0.8
119.04908	1.6
119.08559	6.0
120.05686	0.8
121.06482	6.5
121.10126	7.8
122.03636	1.1
122.07144	1.7
128.06194	0.7
129.06990	0.7
130.06499	0.9
130.07767	3.5
131.04919	5.0
132.02034	1.0
132.08099	0.8
133.02858	10.7
133.06493	1.1
133.10103	1.2
135.04402	55.1
135.08035	6.8
135.11684	8.2
136.04704	2.3
136.07542	1.0
142.58328	0.6
143.08516	1.2
145.02835	21.5
145.03899	1.1
145.06465	1.8
145.10115	17.5
146.03232	0.8
148.05183	3.4
148.08786	0.7
150.03108	1.0
163.03889	100.0
163.07520	18.4
163.09789	2.3
163.11147	27.0
163.14798	2.8
164.04333	4.1
164.07047	2.1
164.11667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02366	1.8
52.15297	0.9
53.03942	8.8
54.03469	1.1
55.01855	4.2
55.05497	4.3
56.05024	1.2
56.96560	1.7
57.03414	1.9
57.07078	1.5
65.03939	1.6
65.49345	0.9
67.05504	5.5
68.05020	2.2
69.03417	10.8
69.07059	3.0
69.60240	8.1
71.04978	3.5
73.74887	1.1
74.83078	0.9
77.03902	2.5
78.95289	1.6
79.05483	28.2
79.45507	1.2
80.05000	2.7
80.05785	1.0
81.03403	3.4
81.04527	4.2
81.07043	12.7
82.05286	2.3
83.04965	3.8
83.06110	1.7
85.02891	2.0
89.03903	11.0
91.05467	25.3
92.02609	3.3
93.04487	1.2
93.07029	30.2
94.07399	1.0
95.04956	26.3
95.06064	6.5
95.08585	2.5
96.05331	1.0
96.06878	1.9
97.07636	2.3
98.20687	1.6
103.04825	1.9
103.05460	27.4
105.03432	4.7
105.04507	6.0
105.07011	25.8
106.06553	1.1
107.04939	17.4
107.06079	2.9
107.08578	36.8
108.05612	3.2
109.06482	2.7
109.07648	1.7
115.05445	3.6
117.03374	9.4
117.06995	16.0
119.04939	2.0
119.06062	2.8
119.08575	15.1
120.02064	1.3
120.05586	1.2
121.06494	13.3
121.09256	1.4
121.10130	25.8
122.06273	1.5
122.07116	9.6
123.07964	5.8
128.06122	1.2
129.06953	3.1
130.06509	1.7
130.07764	10.2
131.04918	28.5
132.08064	1.7
133.02832	23.9
133.03835	1.3
133.06470	3.1
133.10098	2.1
134.03171	1.4
135.04399	41.5
135.08049	11.4
135.11681	13.6
136.04742	1.3
136.07610	2.4
136.08672	7.0
143.08528	2.1
145.02907	4.7
145.03877	1.7
145.06470	6.2
145.10109	37.7
146.06033	1.1
146.07094	4.1
146.10457	1.9
147.07970	1.7
148.08824	2.2
158.96245	1.0
163.03886	100.0
163.07524	22.4
163.09769	17.5
163.11160	62.2
163.14784	2.1
164.04239	3.9
164.06978	5.0
164.11674	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.23042	0.6
52.95057	0.6
53.03939	4.0
54.17989	0.5
54.25417	0.5
55.01861	2.3
55.05495	4.7
57.03416	1.3
63.02353	1.2
64.49382	0.6
65.03915	1.8
67.05492	4.5
69.03091	1.1
69.03426	12.4
69.07052	2.6
70.92546	1.2
70.92921	1.1
71.04971	1.0
77.03889	1.2
79.05482	24.6
81.03396	1.1
81.04496	0.6
81.06589	0.8
81.07042	7.0
83.04959	1.4
89.03909	31.5
91.05466	20.4
92.02612	0.9
92.05828	0.8
93.07031	24.1
94.07373	1.0
95.04958	11.0
95.06075	1.0
95.08593	3.2
97.07660	0.8
103.05452	9.5
105.03400	2.0
105.04510	1.9
105.07018	23.1
106.07287	0.6
107.04949	14.4
107.08581	45.5
108.05627	0.7
108.08867	1.1
109.06509	4.4
115.05440	3.4
117.03372	19.7
117.07008	9.5
118.03602	1.5
119.04936	1.2
119.06081	0.7
119.08576	5.4
120.09365	0.9
121.06487	17.4
121.10128	11.3
122.03650	1.5
122.07249	5.2
123.08060	3.3
128.06187	1.3
129.06967	2.7
130.06491	0.7
130.06686	0.8
130.07774	10.0
131.04915	9.1
132.02061	3.0
133.02835	7.3
133.06476	0.8
134.07259	0.7
135.04407	40.7
135.08035	65.5
135.11664	13.8
136.04756	1.9
136.08476	2.9
143.08531	2.1
145.02841	15.3
145.03880	1.0
145.06462	1.6
145.10107	27.9
146.07132	1.2
146.10390	1.0
150.03081	1.9
163.03886	100.0
163.07518	10.7
163.09789	2.9
163.11147	37.9
163.14859	2.1
164.04370	4.8
164.07034	2.4
164.11594	0.9
173.58360	0.6
178.02731	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1114
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
52.30012	0.7
53.03936	8.3
54.03472	0.9
55.01845	3.0
55.05512	4.0
57.03418	1.2
57.20622	0.8
65.03916	1.5
67.05468	3.3
68.05011	0.9
69.03418	12.0
69.07053	4.7
70.92379	1.4
71.05000	0.9
72.04546	0.7
72.69661	0.7
77.03913	2.4
79.05480	21.9
80.04990	1.5
81.03386	2.9
81.04517	2.0
81.07035	9.2
82.05322	1.0
83.04964	0.9
83.08591	1.3
89.03902	9.7
91.05461	21.1
91.06028	1.5
92.02602	2.5
93.07027	43.7
94.06562	1.2
94.07317	1.2
95.04954	18.6
95.06059	2.8
95.08588	3.0
97.07636	1.7
97.20181	0.7
100.02473	1.1
103.05444	9.3
105.03383	5.4
105.04487	4.0
105.07013	18.7
106.06518	1.0
107.04943	16.2
107.06059	1.2
107.08572	41.0
108.05566	2.2
108.08121	0.8
108.08920	1.5
109.06463	2.0
109.07613	1.1
109.61622	0.8
115.05433	2.2
117.03349	7.2
117.07001	10.7
118.03565	0.8
119.04910	2.4
119.06045	1.9
119.08555	9.8
120.05572	1.6
121.06479	9.1
121.10123	14.5
122.06268	0.7
122.07147	5.8
123.07913	2.9
130.06538	1.0
130.07762	4.5
131.04924	7.7
132.08061	2.6
133.02821	19.4
134.03188	1.0
135.04395	32.7
135.05438	2.1
135.08054	7.0
135.11665	16.1
136.04739	1.9
136.07555	5.4
136.08670	4.5
138.03085	1.1
142.63004	0.8
143.08478	1.0
145.02815	6.6
145.03917	1.5
145.06453	3.2
145.10095	17.3
146.07071	1.9
147.08055	1.0
148.08836	2.0
156.40775	0.9
163.03873	100.0
163.07523	13.5
163.09763	9.5
163.11119	52.8
163.12213	2.1
163.14780	5.9
164.04449	3.9
164.06973	4.6
164.11609	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03939	5.6
54.03452	1.6
55.01857	1.7
55.05489	1.9
56.05019	1.7
56.96547	0.8
57.03431	4.7
57.07063	2.1
58.06580	0.7
61.01149	0.5
62.92974	0.9
65.03922	1.8
67.04230	0.5
67.05482	1.8
68.05006	2.9
68.99770	0.6
69.03416	3.1
69.04542	1.1
69.07061	1.0
70.06566	1.2
70.07281	0.8
70.07693	1.8
71.04967	1.8
71.08627	3.3
72.08151	0.8
77.03918	1.7
78.95254	1.0
79.05480	19.6
80.04991	2.0
81.03403	3.4
81.04524	4.7
81.06596	0.9
81.07048	14.3
82.05308	1.9
82.06560	0.7
83.04933	0.6
83.06097	2.9
84.08118	0.7
85.02883	2.3
85.06519	2.0
89.03905	21.5
91.05464	10.1
92.02615	2.3
92.04971	0.5
93.03397	0.9
93.04517	1.5
93.07026	5.4
94.06573	0.8
95.01320	0.6
95.04958	13.1
95.06059	5.6
95.08604	1.2
96.06857	2.1
97.02882	0.8
97.07637	1.8
99.08073	6.0
100.02414	0.6
101.05992	0.6
103.05453	18.4
103.07547	1.4
105.03387	4.5
105.04505	5.0
105.07008	8.0
106.06551	1.0
106.09274	0.5
107.04939	24.7
107.06012	3.8
107.08584	7.0
108.04477	0.7
108.05595	3.6
108.08109	0.9
109.06509	8.8
109.07651	3.2
110.06065	0.6
115.05429	2.2
117.03369	15.5
117.07002	7.8
117.09115	3.4
118.03549	0.9
118.06532	0.9
118.07330	0.6
119.01305	1.1
119.04965	2.7
119.06018	2.8
119.08561	2.1
119.97884	0.7
120.02007	0.7
120.05550	2.1
120.08097	0.5
120.97903	0.7
121.00803	0.8
121.02824	0.9
121.06468	4.3
121.07251	0.5
121.07526	0.4
121.10134	3.3
121.96634	0.7
122.07138	8.0
123.07940	5.3
127.07522	4.4
130.06523	1.4
130.07794	1.1
131.04912	20.2
132.08066	2.1
133.02838	16.2
133.06459	0.8
134.03148	0.5
135.04396	55.1
135.08029	10.4
135.11667	2.3
136.04759	2.0
136.07530	2.0
136.08661	7.3
137.07037	0.6
138.03125	0.7
139.01776	1.0
140.95247	0.6
145.02826	10.1
145.03912	1.6
145.06474	4.8
145.10150	3.0
146.02299	0.7
146.06073	0.8
146.07086	3.8
147.08060	0.7
158.96283	1.3
163.03882	100.0
163.07541	17.2
163.09752	15.2
163.11153	9.0
163.12323	1.8
163.14822	1.4
164.03265	1.6
164.04500	3.4
164.07025	3.2
164.08008	0.8
181.02832	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02376	0.6
53.03944	1.6
55.01864	0.6
56.96559	0.4
57.07036	0.3
60.04907	0.3
63.92940	0.8
67.05504	0.4
68.05009	0.5
69.03426	0.6
69.88976	0.5
69.89388	1.3
70.06592	0.4
72.08160	1.6
77.03918	0.5
78.95266	1.6
79.05482	3.0
80.05001	0.5
81.03394	0.4
81.04530	0.8
81.07059	0.5
84.08149	0.8
85.02914	0.6
89.03909	1.5
91.05474	1.8
92.02655	0.5
93.07037	1.2
95.04960	3.2
95.06087	0.8
95.08611	0.4
97.07634	0.3
99.95036	0.3
102.04749	0.3
103.05460	77.6
104.05785	2.6
105.03398	0.8
105.04517	1.3
105.07031	1.2
106.06597	0.3
107.04935	2.7
107.06041	0.5
107.08600	1.2
108.05595	0.4
109.07611	0.4
117.03355	1.0
117.07012	1.3
119.04956	0.4
119.97892	1.0
120.05615	0.7
120.08091	0.4
121.00793	0.4
121.01664	0.4
121.06461	0.7
121.10152	0.5
122.07141	1.3
122.94197	0.5
123.07908	0.9
130.06526	0.6
130.07819	0.3
131.04919	100.0
132.05247	4.2
132.08102	0.3
133.02846	3.5
133.07587	0.6
135.04404	6.5
135.05415	0.3
135.08052	1.2
136.07666	0.6
136.08691	1.4
139.01729	0.3
140.95203	0.5
145.02844	1.0
145.03928	0.5
145.06467	0.7
145.07495	0.5
145.10127	0.6
146.07092	0.7
149.06052	0.3
158.96294	1.0
163.01797	0.5
163.03897	18.1
163.07524	45.7
163.08635	2.6
163.09773	2.1
163.11194	1.6
163.14708	0.4
164.03348	0.6
164.04501	0.3
164.07983	1.0
181.02849	0.6
181.21657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.3
50.51540	0.2
51.02368	0.9
53.03708	0.5
53.03941	6.5
55.01856	0.9
55.05496	1.0
57.03413	1.0
61.02921	7.0
65.03936	0.6
67.05489	1.1
69.03414	2.0
69.07066	3.5
69.51369	2.7
73.02905	3.2
77.03906	1.5
79.05486	11.2
80.05029	0.3
81.03412	1.8
81.07045	3.5
82.79486	0.3
83.08591	0.8
85.02898	6.1
89.03919	1.9
90.15913	0.2
91.03964	1.9
91.05468	4.7
92.02608	4.2
93.07037	6.7
94.06530	0.3
95.04959	17.8
95.08591	3.0
96.05272	0.4
97.02880	1.6
98.20684	0.5
99.04451	0.5
100.02459	0.8
103.05455	17.2
104.05783	0.4
105.03383	5.7
105.04482	3.4
105.07021	3.3
106.79654	0.3
107.04945	4.9
107.08582	15.3
109.06488	0.9
115.05424	1.3
117.03397	1.8
117.07002	2.6
118.03509	0.8
118.06519	0.5
119.04934	1.0
119.08571	1.3
120.02068	0.8
120.07964	0.3
121.06503	1.7
121.10130	5.9
121.95764	0.4
123.07954	0.3
130.06487	0.9
130.07773	0.6
131.04918	17.5
132.05215	0.4
132.08070	0.8
133.02838	27.8
134.03185	0.8
135.04401	30.5
135.07999	2.2
135.11665	2.6
136.04738	0.8
136.07565	0.5
136.08600	0.3
138.03102	1.2
140.97147	0.3
145.02820	1.3
145.03952	0.7
145.06483	1.4
145.10103	2.5
148.07487	0.3
163.03886	100.0
163.07509	6.9
163.09764	0.9
163.11136	8.2
163.12247	0.4
163.14786	8.2
164.03230	0.3
164.04277	3.5
164.07011	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0549
Annotation	Jineol
Peak:m/z	Relative Intensity
51.02369	0.4
53.03929	1.1
54.03460	0.4
55.01859	0.9
56.05015	1.2
56.96555	0.6
58.06606	0.5
59.06101	0.8
60.04505	0.9
65.03911	0.4
67.48070	0.3
68.05002	0.7
69.03407	0.6
70.06574	0.7
70.27854	0.6
70.28249	0.8
72.04515	0.7
72.08134	0.4
74.06065	1.8
75.05591	0.4
77.03922	0.4
79.05486	3.8
80.04988	0.7
81.03418	0.4
81.04538	0.6
81.07030	0.7
83.06078	0.9
84.04495	0.5
84.08118	0.4
85.02894	0.9
85.07693	0.4
86.06049	1.0
87.05563	0.5
88.07640	0.4
89.03903	3.0
91.05488	2.1
92.02614	0.4
93.07011	0.8
94.06569	0.7
95.04961	3.1
95.06033	0.9
96.06860	0.6
98.06027	0.8
99.04455	0.4
102.05529	1.9
103.03983	0.4
103.05489	1.7
105.03378	1.2
105.04507	0.8
105.07020	0.9
106.06541	1.5
106.07352	1.1
107.04962	3.0
107.06063	1.1
107.08575	0.9
108.05595	0.4
108.78427	0.3
111.31087	0.3
115.05433	0.4
116.04982	3.7
116.07081	0.5
117.03335	1.0
117.07061	0.7
118.06523	0.9
119.06084	0.4
120.01989	0.7
120.04441	2.7
120.05672	0.5
120.06564	1.0
120.08089	5.4
120.08878	0.7
120.96480	1.1
120.97866	0.6
121.06490	0.8
121.10138	0.5
121.96665	0.4
122.07172	1.7
122.08479	0.5
123.07923	1.1
127.03905	0.4
131.04924	1.8
132.08067	0.5
133.02840	5.5
134.06039	3.6
134.06979	0.5
134.09630	0.7
135.03445	0.7
135.04416	9.0
135.05460	0.7
135.08046	0.6
136.08693	0.9
138.03220	0.4
138.98940	0.8
139.01793	1.3
144.04398	1.5
144.06502	0.6
145.02817	1.1
145.03940	0.7
145.06406	1.0
145.09735	0.9
145.25841	0.3
146.07124	0.7
162.05482	100.0
162.09103	6.3
163.03883	23.8
163.05949	2.9
163.07509	1.9
163.09746	1.8
163.11147	1.2
163.14821	0.3
180.04402	0.6
181.02832	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.34024	0.2
53.03949	0.8
55.01866	1.1
55.05507	6.5
56.05025	0.5
56.96569	0.3
59.06114	0.5
60.04522	0.5
62.06066	0.3
66.03452	0.2
67.05490	0.9
67.60335	0.2
68.29262	0.2
69.03422	0.8
69.07059	2.5
70.55220	0.6
73.02903	0.5
74.06071	0.7
78.93129	0.4
79.03014	0.3
79.05486	4.0
81.03383	0.3
81.04504	0.3
81.07061	1.4
82.04193	0.3
82.05311	0.3
84.04494	0.4
85.02864	0.4
90.04702	0.3
91.05473	11.4
92.05818	0.4
93.04528	0.7
93.07035	2.1
95.04964	0.7
95.06056	0.2
95.08595	0.5
97.02875	0.7
98.06071	0.3
102.05508	0.6
103.05450	2.6
104.06236	0.5
105.03423	0.5
105.07021	25.1
106.06611	0.5
106.07341	0.8
107.04974	0.4
107.06067	0.7
107.08593	1.8
108.50732	0.2
113.00598	0.3
113.02348	0.6
115.03941	0.3
115.05440	4.8
117.07022	6.6
118.04144	2.3
118.06544	0.5
119.01889	0.5
119.08571	100.0
119.95779	0.5
120.05616	1.3
120.06453	0.3
120.08095	1.3
120.08912	2.9
121.06366	2.8
121.10132	3.1
128.06219	0.9
130.04218	0.3
130.07819	0.2
131.04941	0.7
131.08563	2.9
132.05605	0.3
132.09282	0.4
133.02811	0.6
133.06487	5.2
133.10118	22.6
134.03642	0.3
134.05984	0.6
134.07100	2.0
134.10469	0.9
137.97031	0.5
143.04929	0.5
143.08560	1.5
144.04391	0.4
144.05507	0.3
145.10107	0.6
146.03630	1.1
146.07211	1.2
146.10907	1.2
159.11723	1.0
160.16310	0.3
161.00806	0.3
161.04587	0.4
161.05966	9.2
161.08218	2.1
161.09607	8.4
161.13246	20.3
162.05367	1.6
162.06625	0.6
162.09027	1.6
162.10312	0.4
162.13596	0.6
164.75514	0.3
181.40723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03934	0.9
55.01863	0.6
55.05498	3.3
64.69784	0.5
67.05492	1.7
69.07056	3.7
76.05978	0.4
79.05492	3.9
81.07036	4.3
85.02893	0.5
88.99368	0.5
91.05471	19.3
92.60774	0.5
93.07039	4.2
95.04996	0.8
95.08591	1.2
103.05481	2.7
104.06267	0.7
105.07021	76.0
105.57542	0.5
106.07339	2.2
107.08588	1.6
115.03941	0.6
115.05479	2.1
117.07003	5.8
118.06566	0.4
119.08570	100.0
120.06651	0.5
120.08095	1.3
120.08926	3.1
121.06551	0.6
121.10123	4.4
123.79904	0.4
128.06242	1.5
131.08562	6.9
132.09071	0.5
133.06494	1.9
133.10117	39.9
134.10454	1.3
143.08533	2.2
144.09346	0.5
145.10088	1.4
146.03625	0.8
146.07277	1.6
146.10905	3.4
159.11694	2.5
161.05966	3.5
161.07059	0.6
161.09612	8.7
161.13246	50.1
162.05475	3.1
162.09140	1.4
162.13605	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87096	0.7
57.71878	0.7
64.44909	0.8
69.03396	1.3
70.17002	3.8
91.05478	4.0
93.07049	2.7
95.43250	0.7
104.98856	0.8
105.07024	36.5
106.07339	1.3
107.04947	2.6
117.06974	1.7
119.08578	4.6
121.06499	16.6
128.06216	4.6
131.04927	2.6
131.08557	1.4
133.06464	3.6
133.10121	24.6
133.11133	1.2
134.10429	1.0
143.08537	3.0
145.06487	3.0
146.07256	26.1
147.07600	1.3
161.09607	100.0
161.13254	3.0
162.10017	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01855	1.0
55.05485	0.9
56.05033	0.3
67.05489	0.9
69.03424	4.5
69.07047	1.1
73.02916	0.4
73.04680	0.3
74.06072	0.5
78.93099	0.6
79.05489	2.8
81.07055	2.0
91.05473	7.0
91.55839	0.3
92.97284	0.4
93.07025	4.0
93.12199	0.3
95.04942	1.0
97.02924	0.4
97.74383	0.3
98.21459	0.9
103.05432	1.5
105.03401	0.7
105.07021	42.0
106.06561	0.6
106.07342	1.5
106.36919	0.4
107.04956	2.1
107.08615	0.3
115.03880	0.4
115.05459	2.1
117.06986	2.8
118.04128	0.6
118.06551	0.4
119.04948	0.6
119.08568	11.4
119.95752	0.6
120.06596	0.6
120.08127	1.9
120.08826	0.5
121.06488	14.1
122.06860	0.4
128.06195	4.8
131.04898	3.5
131.08536	2.4
132.05672	1.3
133.06468	4.4
133.10109	24.3
134.06032	0.5
134.10483	0.9
137.96758	0.5
141.06992	0.4
143.03259	0.4
143.08534	5.7
144.09045	0.4
145.06465	3.5
146.03629	0.9
146.07251	25.5
147.07585	1.1
159.08015	1.2
159.11620	0.5
161.05995	3.1
161.09599	100.0
161.13223	8.0
162.05484	2.6
162.06621	0.4
162.10097	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.2
53.03944	0.2
55.01862	0.4
55.05500	0.7
56.43863	0.1
64.58427	0.1
65.03943	0.8
67.05495	0.4
69.03423	0.3
69.07079	0.3
69.61208	0.7
69.61629	0.5
70.08878	0.1
71.85491	0.2
79.05489	1.1
81.07062	0.5
82.88700	0.1
83.04969	1.1
91.05475	100.0
92.05804	3.1
93.07032	0.8
95.04992	0.3
95.08581	0.3
97.02876	0.2
103.05474	0.4
105.03391	2.0
105.07028	8.6
113.02302	0.2
115.05445	1.9
117.07011	4.8
118.07342	0.2
119.04944	7.5
119.08578	3.8
120.05295	0.2
120.08125	0.5
121.06508	0.2
128.06203	2.4
128.94130	0.2
131.08597	1.0
133.06479	3.1
133.10118	3.2
134.10480	0.2
143.08543	2.0
145.06425	0.3
146.03593	0.3
146.07239	0.4
161.05998	0.8
161.09610	21.2
161.13237	2.5
162.05463	0.6
162.10120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.01860	0.7
55.05494	1.5
62.74452	0.3
66.86353	0.4
67.05486	1.8
69.03423	8.8
69.07046	1.4
69.75376	0.3
71.36250	0.8
71.36591	0.5
73.02887	0.4
74.06071	0.4
79.05485	3.4
81.07041	2.6
89.31847	0.3
91.05472	12.9
93.01099	0.4
93.07034	4.9
95.04951	1.6
95.08591	0.7
103.05449	1.7
105.07020	45.7
106.07330	1.6
107.04944	1.8
107.08566	1.4
115.05457	1.8
116.06233	0.4
117.06998	3.2
119.08573	15.4
119.95770	0.4
120.08083	0.6
121.06493	15.0
122.06853	0.7
128.06215	7.6
128.07147	0.5
131.04921	2.7
131.08534	2.4
132.05682	1.5
132.09276	0.4
133.06499	3.3
133.10115	28.9
134.06015	0.5
134.10471	1.1
141.06984	0.6
143.08542	10.6
145.06474	3.7
146.03571	0.5
146.07251	25.3
147.07594	1.1
159.08034	1.2
159.11655	0.6
161.05965	1.6
161.09601	100.0
161.13228	13.5
162.05466	1.0
162.10060	4.5
162.13589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01848	0.6
55.05498	0.4
67.05483	0.3
69.03419	7.6
69.71638	1.0
69.72049	0.4
75.59201	0.2
77.03924	0.2
78.04671	0.2
79.05473	0.7
81.07058	0.2
91.05467	3.7
92.48598	0.2
93.07021	1.2
95.04955	0.4
98.20776	0.4
103.05444	0.7
105.03403	0.2
105.07014	13.7
106.07343	0.6
107.08569	0.2
115.05429	1.1
117.06956	1.2
118.07745	0.3
119.04920	0.4
119.08571	3.2
120.08086	0.3
121.06470	1.1
126.95531	0.2
128.06207	5.7
131.04929	1.0
131.08531	1.1
132.05705	1.4
133.02814	0.4
133.06468	1.8
133.10107	6.0
133.11133	0.3
134.05942	0.2
141.06984	0.3
143.08540	6.7
144.08873	0.5
145.06470	3.6
146.07243	5.1
159.08052	4.6
161.09593	100.0
161.13142	2.0
162.05435	0.4
162.09959	4.9
174.81551	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15522	14.1
57.24415	14.6
67.90247	14.7
69.87681	88.1
82.39864	13.1
90.06511	12.2
93.96301	15.0
96.40081	14.2
98.20671	15.5
111.85282	14.0
119.01905	100.0
137.02942	42.7
184.51137	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03942	2.2
55.01867	5.5
55.05508	0.8
56.05026	0.6
57.03415	0.4
58.99584	3.2
59.06115	1.0
60.04519	0.9
65.03938	0.8
65.47136	0.4
66.03463	0.4
66.04716	2.0
66.86249	0.3
67.05501	0.6
68.99799	0.4
69.03419	1.2
69.07063	0.4
71.09358	0.7
71.09731	0.4
72.04505	0.5
73.01147	0.4
73.02905	0.5
74.06069	1.0
75.05582	0.3
77.03925	0.6
78.93127	0.9
79.05486	19.6
80.04994	0.4
80.05791	0.4
81.03403	0.7
81.07058	0.9
82.05315	0.4
84.04472	0.4
84.34651	0.3
85.02883	1.0
86.99052	1.3
87.04436	0.4
89.03918	1.2
90.03423	0.3
90.04703	2.7
91.05470	7.2
92.02623	0.8
93.04521	1.3
93.07032	1.1
95.04958	5.3
96.94165	0.4
97.02888	1.0
97.07690	0.4
101.95031	0.5
102.04685	0.9
102.05475	0.5
103.05458	23.4
104.05750	0.6
105.03394	0.9
105.04504	1.1
105.07021	100.0
106.06646	0.6
106.07346	2.9
107.04942	1.6
107.06070	1.2
109.27362	0.4
113.00539	0.5
113.02371	1.3
114.01383	0.5
115.04089	0.7
115.05447	27.9
116.01678	2.6
116.05785	1.2
117.07030	1.6
118.04154	19.3
118.06490	0.5
119.06782	0.5
119.08572	6.4
120.05593	1.6
120.08084	1.9
121.06362	3.1
128.06204	0.8
131.04927	4.8
131.08537	0.7
132.05699	1.5
133.06477	49.8
133.10110	4.3
134.06000	0.8
134.07013	3.2
134.09604	0.6
139.01918	0.4
143.03476	0.4
143.04880	1.0
143.06044	3.7
143.08554	1.2
145.06450	0.4
146.03619	1.4
146.07285	1.0
161.00941	0.7
161.05972	16.8
161.08202	3.0
161.09590	6.5
161.10799	0.4
161.13234	3.2
162.05415	2.5
162.09126	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46482	0.3
70.20380	0.4
70.20776	0.8
82.01462	0.3
82.99854	1.1
88.44910	0.3
98.97565	0.3
99.97913	0.4
100.02460	1.4
101.00867	18.4
102.00954	0.4
116.98582	0.3
118.03506	4.7
119.01901	100.0
120.01985	2.2
120.03259	0.5
121.01579	0.4
121.02364	0.5
124.02412	1.9
133.03404	0.3
134.99654	0.4
136.02737	0.7
136.04518	3.5
137.02936	33.8
138.03107	0.4
142.03477	28.1
143.03664	1.5
145.48798	0.3
160.04533	27.5
161.01781	0.3
161.02945	1.5
161.04774	1.4
165.05087	0.9
171.47932	0.3
178.03996	0.5
178.05580	7.8
179.04007	2.8
179.05440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.01316	0.3
55.05513	0.6
56.96558	1.4
58.67519	0.3
59.93119	0.5
60.51152	0.3
65.03922	0.5
67.05497	3.2
68.99355	0.3
70.06578	0.5
70.95322	0.6
70.95691	0.7
71.06906	0.5
71.11137	0.3
72.04527	0.4
76.93359	4.0
79.05489	1.6
81.07063	1.6
83.02914	0.3
91.05469	16.9
92.05732	0.3
93.07043	0.8
94.94398	1.2
95.04962	0.4
98.97541	0.6
103.05447	1.6
105.07021	22.6
106.07379	0.8
113.02367	1.0
115.05440	6.5
116.06245	2.8
116.98633	0.4
117.07008	36.6
117.95965	4.0
118.06497	1.1
118.07368	1.5
118.96723	0.5
119.08572	10.4
120.08967	0.4
128.06189	1.5
129.06993	21.5
130.07784	19.1
131.08553	86.7
132.07993	0.5
132.08885	4.2
133.06499	0.4
135.96964	2.1
141.01797	3.4
142.07759	2.0
143.08617	1.6
144.09326	23.2
145.06279	0.3
145.09645	1.4
148.04141	0.4
157.10126	4.7
158.98599	0.6
159.08142	2.6
159.11678	100.0
160.06100	0.3
160.12007	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
57.03422	0.4
59.93102	0.4
67.05496	4.9
67.07252	0.4
70.06601	0.4
71.12872	0.8
75.08045	0.3
76.93375	2.8
79.05497	4.6
81.07053	4.0
91.05468	17.4
92.05812	0.4
93.07047	2.1
94.94402	1.1
95.04948	0.8
103.05444	1.0
105.07018	17.4
106.07329	0.5
113.02364	1.4
113.07876	0.5
115.05435	5.7
116.06222	2.3
117.07004	46.0
117.95951	2.3
118.06560	0.5
118.07339	1.6
118.96784	0.4
119.08560	5.5
128.06155	1.4
129.06990	11.0
130.07771	9.7
131.08548	74.6
132.08905	3.0
135.96980	1.6
141.01814	4.7
141.06992	0.4
142.07753	1.2
143.08542	0.8
144.09326	11.5
157.10118	3.4
159.08105	3.2
159.11671	100.0
160.07506	0.6
160.12013	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03938	0.8
55.65120	0.3
59.93079	0.4
67.05511	2.7
70.06571	0.5
71.63918	0.7
72.04488	0.5
76.84236	0.4
76.93360	5.2
79.05482	1.2
81.07051	0.5
84.37252	0.4
91.05468	8.9
94.94405	1.1
95.04928	0.5
99.19674	0.3
103.05456	0.9
105.07018	24.1
106.07314	0.6
112.95465	0.4
113.02343	1.6
115.05430	2.8
116.06216	1.5
116.98600	0.5
117.07006	18.7
117.95966	3.7
118.06503	0.8
118.07271	0.6
118.96738	0.9
119.08566	12.3
128.06204	2.2
129.06987	16.5
130.07805	5.4
131.04843	0.5
131.08553	32.7
132.08891	1.2
135.96989	2.2
141.01802	4.3
141.06955	0.5
142.07805	2.0
143.08582	2.1
144.05679	1.4
144.09335	33.6
145.09796	1.4
157.10115	4.1
158.98647	0.5
159.08087	9.0
159.11676	100.0
160.07550	0.6
160.12022	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.46840	0.4
53.03939	1.6
55.01873	0.8
56.96522	0.4
57.03434	0.4
60.91745	0.4
65.03933	0.9
67.05500	3.8
70.06567	0.5
70.34637	1.0
70.35036	1.0
72.04498	0.5
76.93369	2.5
79.05481	1.8
81.03403	2.8
81.07045	0.6
86.06075	0.5
89.22340	0.4
91.05470	61.9
92.05798	1.8
93.07053	0.9
94.94413	0.9
102.76482	0.4
103.05438	1.4
105.07019	24.1
106.07361	0.8
113.02362	1.3
115.05427	7.1
116.06246	4.5
117.07007	25.6
117.95963	1.8
118.06551	0.5
118.07325	0.9
119.08564	9.4
128.06195	1.8
129.06985	18.4
130.07800	8.4
131.04922	1.3
131.08551	57.9
132.08923	2.7
135.97060	1.9
141.01837	5.6
141.06958	4.9
142.07729	1.7
143.08522	1.3
144.05678	3.3
144.09328	24.8
145.06499	0.6
145.09746	1.4
157.10101	5.7
159.08057	21.9
159.11674	100.0
160.08430	1.2
160.12007	6.8
169.07671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89605	0.6
55.01863	0.9
55.05498	1.4
56.05027	3.1
56.96553	2.6
57.03426	44.3
57.07064	100.0
58.03768	0.8
58.06594	1.1
58.07394	2.1
59.04980	0.6
59.06110	3.9
59.93097	1.1
60.04517	1.2
61.02917	5.7
67.05487	4.2
69.03415	0.8
69.07068	0.8
70.06580	1.8
71.04991	1.9
71.06110	0.6
71.06908	0.8
71.07646	1.4
72.04505	1.7
72.08147	1.1
74.06073	0.7
75.05611	0.6
76.03998	0.9
76.93350	9.1
76.93769	0.5
79.05508	1.4
81.07043	8.8
84.04500	1.1
84.08138	0.5
85.02911	1.6
85.03993	1.0
85.06528	46.2
85.07630	1.4
86.06074	1.2
86.06853	1.0
86.08452	0.8
86.14253	0.5
87.04424	2.5
88.05923	0.6
88.07635	0.6
88.22388	0.5
91.05460	7.2
94.94406	2.8
95.04996	1.1
95.06084	1.0
95.08582	4.0
96.04501	0.6
97.02839	0.5
97.07655	0.6
98.06082	0.6
98.97563	3.7
99.04485	0.8
99.05553	2.6
100.03918	0.6
100.07607	0.6
101.07144	0.8
102.05534	1.1
103.05444	6.7
103.07560	26.0
105.07008	4.9
111.05532	0.9
113.02349	3.7
113.06061	0.5
113.07133	2.0
113.07896	0.5
114.05481	1.0
115.05444	2.2
116.06258	1.3
116.98585	5.7
116.99263	0.5
117.05739	1.1
117.07056	5.9
117.95952	5.6
118.06529	3.6
118.07288	0.6
118.96715	3.1
119.08589	1.6
123.08073	0.9
129.06992	4.1
130.07797	1.0
131.04910	5.3
131.08545	15.2
132.08090	1.7
132.08952	0.9
134.99640	6.2
135.96968	5.6
141.01816	10.0
141.06683	1.1
144.05717	1.9
144.09291	4.2
153.00740	1.1
153.96684	0.7
157.10176	0.7
158.01256	0.8
158.98640	0.6
159.03062	0.6
159.04446	2.3
159.05637	0.8
159.06711	0.9
159.08173	4.0
159.10178	21.4
159.11710	18.4
160.07524	2.8
160.10596	0.8
160.12033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0915
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
51.99096	0.5
53.00369	0.6
53.03960	0.6
55.01892	1.8
55.05522	1.5
56.05030	8.6
56.96559	8.9
57.03434	1.4
57.07090	0.8
57.93593	0.7
58.02964	0.9
58.06625	2.5
59.06115	8.3
59.93113	3.5
60.04520	2.7
67.05524	2.1
68.05050	2.3
69.03463	1.8
69.04552	0.6
69.07105	1.0
70.02983	1.0
70.06574	3.0
71.01392	0.9
71.04988	1.3
71.06137	2.3
71.06924	0.8
71.37271	1.0
71.95269	1.3
72.04506	3.4
72.06903	0.8
72.08168	1.4
72.93802	0.6
73.02927	0.7
74.06098	2.0
75.04499	1.0
75.05602	0.7
76.04023	2.5
76.93357	5.2
77.94164	0.9
79.05511	1.2
81.03419	0.9
81.04542	1.3
83.04962	0.8
83.06133	2.5
83.08634	0.7
84.04492	5.2
84.08142	1.0
85.02914	1.8
85.04002	0.8
85.07686	1.6
86.02414	1.0
86.06063	3.1
86.08469	0.8
87.05606	1.1
88.03989	1.1
88.60158	0.6
91.05473	5.2
91.96693	0.6
93.05769	0.7
94.94425	1.8
95.04976	1.2
95.06082	4.1
95.08553	0.6
96.04480	3.1
97.02890	0.8
97.06565	0.7
97.07678	1.0
98.06043	0.8
98.97575	11.1
99.04488	1.4
99.05567	6.0
100.03974	3.2
100.95742	0.6
101.00881	0.6
101.02371	0.8
101.07137	1.5
102.05524	3.4
102.09238	0.8
103.03286	0.8
103.05473	2.5
104.05018	0.7
104.05815	0.7
105.07019	4.6
111.05564	2.1
113.02368	5.9
113.05972	0.9
113.07130	6.3
113.07862	1.0
114.05505	3.1
115.05447	32.6
116.04970	1.4
116.05643	0.6
116.97273	1.0
116.98600	16.7
117.05770	17.7
117.07121	5.4
117.95964	3.4
117.97581	0.8
118.05193	0.6
118.06535	10.6
118.96752	8.7
119.01893	2.0
119.08572	1.2
123.05486	0.6
124.03949	0.6
125.07063	0.8
127.00230	0.6
128.06172	0.7
129.06992	3.4
130.06516	29.7
131.04950	5.0
131.05821	0.9
131.05989	0.8
131.06818	6.3
131.08543	9.0
132.08072	100.0
133.08426	3.6
133.98996	0.6
134.99648	21.8
135.00682	1.5
135.97020	3.7
135.99983	1.3
140.04901	1.7
141.01811	14.5
141.05614	0.8
141.06516	4.0
142.06505	47.1
143.06975	1.9
143.08212	1.0
144.05675	0.8
144.09306	4.2
150.95714	0.9
153.00687	4.6
153.96651	2.3
154.96425	3.5
157.10052	0.8
158.01222	1.4
158.08374	2.8
159.02992	1.1
159.04362	1.5
159.06366	2.2
159.07718	9.5
159.09132	83.6
159.11635	17.2
159.15685	0.9
160.04210	1.4
160.07565	19.9
160.09549	3.5
177.00656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0916
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03933	2.2
55.01845	4.0
55.05495	2.6
56.05031	13.0
56.96558	30.6
57.03433	5.2
57.07063	1.5
57.93529	1.6
58.02944	2.0
58.05310	1.0
58.06570	4.5
59.06119	11.5
59.93077	4.1
60.04520	6.3
61.02903	3.1
67.05487	1.7
68.02645	0.9
68.05002	4.7
69.03419	7.3
69.04530	1.9
69.07030	1.0
70.03733	1.5
70.06587	7.8
71.01335	2.0
71.04966	3.2
71.06082	3.8
71.06878	4.1
71.73262	1.6
71.95229	3.9
72.04506	8.0
72.08165	5.2
73.02876	2.4
73.06526	4.3
74.06050	3.7
75.05582	2.3
76.03976	4.6
76.93382	5.5
76.93719	0.9
77.94088	1.5
79.05468	1.7
80.05006	1.4
81.03390	4.3
81.07007	1.6
82.06545	2.9
83.01285	1.2
83.04951	2.7
83.06064	4.1
84.04506	9.4
84.08115	3.9
85.02887	7.9
85.04009	2.0
85.07627	3.7
85.08446	1.8
86.02389	1.3
86.06029	4.8
86.08453	1.5
86.09686	1.5
87.04436	3.5
87.05575	2.6
88.03963	1.5
88.04779	2.4
88.07608	1.7
89.00784	1.2
91.05463	8.1
94.06544	1.1
94.94381	2.3
95.04964	1.1
95.06048	8.1
95.06883	1.2
96.04440	4.8
97.02879	9.4
97.07622	2.4
98.06021	2.7
98.97571	38.6
99.04427	2.9
99.05568	8.6
99.06164	1.1
99.97867	1.5
100.03937	4.0
100.07558	2.4
101.00852	2.1
101.02348	2.1
101.07111	3.1
102.05552	5.4
103.05403	3.9
105.07026	27.9
109.02842	2.3
111.05518	3.3
112.07574	1.8
113.02360	8.7
113.05878	1.7
113.07091	9.7
113.07905	5.8
113.10705	1.3
114.05513	3.2
114.09155	2.2
115.02410	1.3
115.05457	32.3
116.10672	4.1
116.98610	58.1
117.01929	1.3
117.03954	3.7
117.05774	28.7
117.06578	4.9
117.07011	4.3
117.95963	6.4
117.98916	3.7
118.03444	1.5
118.04935	1.7
118.06550	13.0
118.96770	9.7
119.01902	10.7
119.07313	77.0
119.08530	2.6
120.07623	2.0
123.05495	2.0
127.00256	1.2
128.02281	1.3
129.03899	1.4
129.06982	5.4
130.06470	4.0
130.07700	1.3
131.01855	1.5
131.04828	4.9
131.07195	1.2
131.07561	1.3
131.08565	16.9
131.64581	1.1
132.08076	100.0
133.03441	1.1
133.08418	5.0
134.59476	1.0
134.99640	72.5
135.03085	1.5
135.04985	4.5
135.96989	4.2
135.99971	3.7
136.02734	1.4
136.04460	1.3
137.02905	3.6
140.00166	2.5
141.01811	25.6
141.05498	1.7
141.06519	8.0
141.08530	1.3
142.03452	4.5
142.04997	1.1
142.05287	1.2
142.06505	14.3
142.08649	1.4
142.12206	1.2
143.01837	1.6
143.08221	1.6
144.09296	6.7
145.03381	1.4
147.04800	2.5
147.05942	6.6
147.55780	2.3
149.06609	8.2
150.06798	1.3
150.95721	1.2
152.33490	1.1
153.00685	13.7
153.96657	3.6
154.96474	5.2
157.10065	1.4
158.01285	6.5
159.03098	1.0
159.04361	2.3
159.07704	12.7
159.09120	92.8
159.11594	22.3
159.15622	1.7
160.04494	4.6
160.07501	3.9
160.09532	3.0
160.11942	1.6
161.02942	2.1
176.02194	1.5
177.00589	1.9
178.05626	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
54.03449	2.0
55.01847	2.0
55.05271	1.3
55.05505	18.5
56.04752	1.4
56.05030	27.8
56.05806	1.5
56.96558	15.0
57.03432	26.7
57.04528	1.8
57.07057	4.8
57.93562	11.7
58.02940	3.2
58.06594	9.1
59.06115	16.1
60.04519	81.3
66.74871	1.0
67.05479	3.3
68.05003	4.3
69.03418	3.0
69.04529	1.8
69.07060	21.9
70.02931	1.5
70.06584	47.7
71.04968	3.4
71.06088	3.8
71.08605	1.5
71.65607	1.3
71.65945	1.6
71.95247	3.2
72.04513	6.1
72.04836	1.0
72.05687	1.1
72.08137	3.7
72.93769	1.2
73.02328	1.0
73.95642	1.6
74.05675	1.2
74.06068	17.4
75.05590	3.5
75.94591	4.0
76.03989	2.6
76.93359	8.8
79.05064	1.7
79.05487	17.2
80.04994	1.7
81.03408	1.9
81.04518	3.6
81.07047	100.0
82.02907	1.9
82.06573	5.7
82.07378	1.9
83.04967	3.1
83.06091	12.0
84.04491	13.4
84.08106	4.4
85.02884	2.7
85.04019	1.9
85.07618	1.9
86.06068	5.9
86.08446	2.6
86.09695	28.5
87.04450	1.3
87.05579	17.8
88.07603	3.4
91.05453	3.4
93.95628	2.4
94.06538	2.6
94.94388	3.9
95.04935	4.3
95.06079	6.7
95.08575	4.0
96.04475	2.8
97.06496	2.7
97.07639	3.0
98.06049	8.3
98.07195	5.6
98.09684	98.4
98.97574	43.0
99.04417	3.5
99.05568	15.0
99.08083	72.3
99.09956	1.9
100.03942	2.7
100.07591	8.0
100.08403	3.2
101.07072	3.6
102.05501	2.4
102.09180	9.1
103.05439	1.8
105.07031	2.9
108.44529	1.1
110.07134	3.9
111.05550	2.3
111.07917	2.0
111.09215	1.7
112.03936	1.4
112.06869	1.4
112.07593	19.1
112.11209	1.9
113.02323	4.5
113.07118	6.9
114.05507	1.6
115.08720	1.2
115.96429	1.1
116.06313	1.7
116.07066	8.5
116.08199	1.6
116.10715	21.3
116.97242	36.8
116.98596	54.6
117.06516	1.7
117.07121	1.2
117.95960	7.7
118.96674	1.2
119.01923	1.6
123.05530	1.9
123.07984	1.5
128.09831	2.0
128.10701	22.4
129.07007	1.9
130.06502	9.2
130.08578	1.1
131.04889	2.6
131.08565	7.8
131.99519	2.7
133.97386	1.3
134.95895	2.3
134.99646	58.7
135.97005	6.8
140.00179	2.1
140.07036	4.0
140.08150	5.9
140.10674	13.1
141.01801	13.4
141.06558	6.8
141.08974	1.2
141.10162	2.3
143.08273	1.8
144.09320	3.5
144.52754	1.1
148.96159	4.6
152.04013	1.2
152.96921	15.3
152.99678	1.4
153.00706	12.8
153.96663	2.7
158.01247	5.0
158.04503	1.7
158.05975	5.4
158.08069	7.7
158.09557	38.0
158.11732	55.3
158.15396	11.9
159.06436	1.6
159.07813	3.7
159.10037	2.2
159.11687	10.3
170.97935	3.2
175.98547	1.8
176.02180	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.1
56.05038	1.1
56.96557	10.8
57.04574	0.6
57.93547	2.7
58.01469	1.4
58.99879	1.3
59.06137	0.8
60.04523	0.5
69.03436	0.7
69.07066	0.9
70.06603	1.9
70.95867	1.5
71.06158	0.6
71.26395	1.1
71.95271	2.0
71.95883	0.6
72.04528	1.2
72.77592	0.4
72.93804	1.3
73.85566	0.4
74.93825	4.3
75.05587	0.5
75.94618	1.0
77.00899	1.1
77.95821	0.4
81.03416	0.8
82.01468	1.4
83.04978	0.9
83.06117	1.1
84.01228	0.6
84.04499	0.5
85.07674	0.7
87.05588	0.6
88.02689	0.4
91.05477	0.6
92.94870	1.1
93.07053	0.6
95.01991	0.4
95.04983	0.5
97.02924	0.6
97.06561	0.7
97.07624	0.6
98.07163	0.7
98.97568	53.0
99.05563	0.7
100.02466	9.0
100.03080	0.7
101.00877	3.7
102.01010	0.5
103.02457	1.4
104.02610	0.6
107.38081	0.5
111.04418	1.3
111.05579	1.7
111.08083	0.7
112.07594	0.7
114.61732	0.4
115.02408	1.8
115.03551	0.7
115.96414	3.0
116.01934	17.4
116.03724	0.9
116.97349	6.7
116.98602	60.1
118.02827	0.3
118.03500	22.0
119.01903	25.1
119.03666	1.0
120.01968	2.4
121.01652	1.5
121.03498	0.8
122.03628	0.7
129.06981	0.8
130.03462	0.7
131.99527	1.0
132.05025	1.2
132.49777	0.7
133.01631	1.6
133.03488	12.5
133.04538	2.0
133.05316	0.7
133.96077	0.9
133.97441	1.8
134.02965	100.0
134.04747	5.6
134.99638	45.3
135.03177	4.3
136.03453	0.7
136.04518	13.3
137.02939	12.4
137.04630	0.8
139.03502	2.8
140.00174	2.6
141.05052	0.9
142.03529	2.9
142.07741	1.7
145.03545	0.6
146.99545	0.6
147.03706	0.5
147.04974	0.6
148.03764	1.0
148.96165	0.8
150.06129	0.9
150.96846	2.2
151.04564	3.3
151.06215	2.1
151.97148	2.8
152.02199	0.8
152.03996	16.7
152.05765	4.5
152.96886	3.2
153.00694	7.2
153.04099	1.3
153.74886	0.6
157.01393	0.6
157.03436	1.9
157.04550	21.0
157.06393	1.0
157.07477	0.7
157.10034	1.1
158.01263	3.3
158.02913	3.0
158.04715	1.4
158.09596	2.4
160.04565	0.9
166.04947	0.5
174.06097	0.6
175.04445	2.3
175.05644	3.7
175.07593	0.4
176.02431	0.9
176.03992	5.0
176.05771	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0419
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
56.97448	0.4
58.17346	0.2
60.29655	0.2
61.22589	0.2
66.16043	0.1
68.97444	0.3
70.24834	0.5
70.25246	0.3
70.99002	0.2
74.09710	27.0
75.10059	0.3
79.99037	0.3
83.06137	0.1
95.06114	0.2
96.96908	3.4
110.07169	1.9
112.05244	1.1
120.02007	0.2
126.77998	0.2
130.06290	25.8
131.06653	0.4
132.02068	0.4
132.98157	0.2
133.03421	0.2
156.04198	100.0
157.04572	1.9
174.05261	0.2
174.98607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1429
Annotation	4,6-Dimethyl-4-octen-3-one
Peak:m/z	Relative Intensity
53.03946	0.7
55.01868	1.1
55.05507	8.3
55.93518	1.0
56.25566	0.5
56.96571	1.4
57.03434	1.4
57.07071	3.4
60.32587	0.6
65.03921	1.5
65.08415	0.6
67.05502	8.2
68.04995	0.7
69.03433	1.8
69.06681	0.9
69.07062	19.6
69.41399	0.6
69.61619	0.9
69.62034	4.7
70.95855	9.8
71.01363	0.8
71.04976	3.2
71.08235	1.4
71.08625	27.1
72.04507	1.0
72.08924	0.9
72.93782	100.0
73.93823	1.7
79.05495	2.4
81.03404	1.9
81.07047	12.2
82.06571	1.2
83.04980	6.8
83.08619	1.5
84.02145	0.6
85.02897	2.0
85.06536	21.3
86.06081	0.9
88.96888	3.0
90.94818	28.2
91.05453	0.8
95.04948	5.2
95.06083	0.7
95.08595	9.8
96.04469	0.9
97.03937	0.7
98.07166	0.8
98.21452	1.3
98.98467	3.7
99.04449	1.8
99.08089	12.0
100.11263	0.9
108.95855	6.6
109.02864	1.6
109.06490	2.5
109.07610	1.3
109.10163	6.2
110.06041	2.2
110.07157	1.2
111.04427	4.5
111.08086	1.2
111.98489	3.7
112.01595	1.1
112.08706	1.3
113.05996	4.0
113.96388	47.5
114.05542	0.7
123.04463	0.9
127.03926	3.3
127.07555	1.6
128.07053	1.3
129.05487	0.7
129.99507	2.7
131.97426	43.5
132.95816	8.4
132.97531	0.9
137.02321	0.6
137.05925	2.0
137.07953	0.8
137.09572	0.9
138.05524	0.9
149.97231	1.2
149.98398	0.7
150.96880	21.0
153.06993	1.0
154.99008	5.9
155.03380	3.5
155.07010	10.7
155.08417	2.9
155.13026	1.8
155.14290	32.9
155.97400	1.3
156.06511	1.6
156.07878	1.0
156.10188	1.3
156.14711	1.3
168.97969	1.2
173.98477	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.5
53.03936	0.8
55.01869	1.7
55.05501	5.0
55.93509	2.3
56.05033	1.1
56.96559	1.3
57.03431	1.5
57.04538	0.5
57.07065	71.1
58.06605	0.4
58.07400	2.0
59.05009	0.5
59.06114	1.3
65.03934	1.2
67.05494	8.4
68.05024	1.6
69.03421	3.2
69.04546	1.0
69.07060	1.7
69.96160	0.8
70.06569	1.5
70.95852	18.4
71.01340	0.6
71.04977	2.2
71.06110	1.2
71.73959	0.5
71.94093	0.8
72.04490	1.4
72.08144	0.6
72.93776	100.0
73.02905	0.8
73.93820	1.4
79.05484	1.4
79.34069	0.4
81.03402	1.3
81.04522	0.9
81.07038	7.2
82.06561	1.7
82.07378	0.4
83.04969	6.8
83.06097	0.9
83.08620	0.5
84.04504	1.0
84.05212	0.4
85.02886	1.2
85.04025	0.5
85.06525	7.4
86.06048	0.8
86.09681	0.6
88.96886	7.6
89.02393	0.5
90.94809	31.3
91.05474	1.5
91.94907	0.6
93.03388	0.5
93.07027	0.9
94.06535	0.4
95.01314	0.5
95.04951	5.1
95.06065	1.2
95.08579	4.7
96.04472	1.2
96.05592	1.8
97.03979	0.8
97.06491	1.7
97.07658	1.4
98.07166	1.8
98.98457	3.4
99.04436	3.1
99.05564	0.6
100.07628	0.7
106.97921	1.5
108.95847	8.8
109.02858	1.7
109.06499	3.0
109.07619	1.9
109.10136	5.1
110.02386	0.7
110.06023	2.7
110.07152	2.6
111.04425	6.2
111.08072	1.3
111.09167	0.8
111.98447	7.1
112.01526	1.1
112.08709	1.7
113.02318	0.7
113.05984	4.5
113.07119	1.0
113.08221	1.2
113.09564	0.9
113.10762	0.7
113.96382	43.1
114.05519	0.8
114.06630	2.5
114.10284	0.9
114.96691	0.6
115.05430	0.5
119.08566	0.6
120.05525	0.6
123.04391	1.4
125.02356	0.5
127.03906	4.5
127.07534	2.5
127.08588	0.9
128.07048	1.6
128.08136	0.6
128.10681	0.5
129.05464	1.4
129.06949	0.6
129.99478	5.4
130.00986	1.4
131.97412	44.7
132.95815	16.7
132.97403	0.8
137.02283	0.6
137.05916	1.8
137.06917	0.5
137.08051	0.7
137.09578	1.4
138.05519	0.8
138.06570	2.1
138.09122	0.5
139.03766	0.4
139.08588	0.4
140.04634	0.8
141.05627	0.6
141.06950	2.7
149.97169	3.7
149.98351	0.9
150.96861	46.7
153.01091	0.5
153.06960	0.8
154.98994	7.1
155.03415	3.9
155.06015	0.7
155.06987	12.7
155.08408	4.7
155.10611	1.0
155.11792	0.5
155.12885	2.1
155.14261	3.2
155.97394	4.2
156.06461	1.5
156.07822	2.3
156.09282	1.4
156.10204	1.3
156.11313	0.9
168.97935	2.3
173.98485	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.5
53.03941	1.4
54.39314	0.4
55.01858	1.5
55.05510	4.7
55.93514	0.9
56.96564	0.4
57.03425	1.3
57.07057	2.4
59.05003	2.7
65.03926	1.1
67.01880	0.5
67.05495	15.2
67.05840	1.1
68.05025	1.0
69.03419	2.9
69.07060	10.5
70.06586	1.0
70.95856	6.7
71.01344	4.3
71.03410	1.2
71.04982	5.9
71.94102	0.7
72.93780	100.0
73.93813	1.2
79.05481	2.5
81.03416	1.8
81.07045	7.7
82.06567	2.3
83.04975	6.1
84.02079	0.5
84.04507	0.6
85.02897	1.2
85.06519	1.2
85.10189	2.4
86.17334	0.5
88.96889	3.3
89.02376	0.5
90.94817	35.0
91.05491	1.2
91.94903	0.6
93.07047	1.9
95.04956	6.7
95.08600	10.2
96.04496	0.9
97.02870	0.8
97.06521	9.2
98.98459	3.9
99.04449	3.8
106.97914	0.5
108.95847	9.4
109.02876	2.1
109.06504	4.5
109.07635	1.4
109.10146	11.7
110.02358	0.5
110.06049	3.4
110.07166	1.6
111.04437	5.2
111.08049	0.8
111.98482	3.0
112.01620	0.5
112.08719	0.7
113.06005	4.7
113.09637	3.8
113.96387	48.5
115.05446	0.7
123.04427	1.0
127.03896	3.6
127.07558	3.1
127.08440	0.5
128.07076	1.7
129.05486	1.2
129.07034	0.8
129.99522	1.8
131.97421	52.3
132.95816	5.4
132.97664	0.8
137.02481	0.6
137.06032	2.3
137.06912	0.5
137.07951	1.1
137.09604	11.3
138.05518	0.8
141.07022	1.9
149.97205	2.5
149.98352	1.0
150.96875	17.1
153.07007	1.5
154.99016	11.3
155.03401	3.7
155.05844	0.8
155.07042	12.3
155.08507	7.6
155.10638	5.3
155.14258	3.3
155.15451	0.6
155.97452	1.2
156.06567	1.7
156.09259	1.3
156.10338	0.8
168.97990	0.8
173.98468	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.6
53.03934	2.1
55.01863	28.1
55.02994	0.8
55.05503	22.5
55.47725	0.5
55.93515	2.7
56.05026	1.5
56.05842	0.7
56.96547	2.5
57.03435	4.6
57.04538	0.6
57.06782	1.1
57.07064	12.3
58.06579	0.7
59.04997	1.4
59.06102	1.5
59.97118	0.6
60.04502	1.3
65.03920	2.7
67.05492	58.4
68.05022	1.6
68.05833	1.3
69.03416	5.7
69.04546	1.4
69.07055	7.0
69.78706	4.2
69.96158	1.2
70.06570	1.2
70.95854	22.3
71.01353	1.0
71.04980	22.8
71.06094	0.8
72.04508	1.8
72.08144	1.4
72.93776	100.0
73.06544	0.6
73.93816	1.4
73.94530	0.6
79.05482	7.9
81.03416	5.6
81.04530	1.3
81.07041	18.3
82.06571	1.3
83.04967	20.7
83.06087	1.4
83.08624	1.2
84.04471	1.1
84.08136	0.9
85.02879	3.2
85.03981	0.8
85.06530	5.2
88.96875	7.4
90.94810	30.0
91.05466	9.2
93.03355	0.7
93.07028	11.1
94.06618	0.7
95.04952	34.5
95.05984	1.1
95.08589	38.7
96.04435	0.8
96.05611	2.2
96.08134	1.0
96.08910	0.7
97.02868	0.9
97.03999	1.5
97.06485	2.0
97.07638	1.7
98.05995	0.7
98.07178	2.7
98.09668	0.7
98.98465	3.1
99.04442	8.2
99.08089	2.1
105.04513	0.7
106.97956	1.0
107.08573	2.6
108.95851	6.3
109.02875	2.5
109.06498	6.9
109.07625	1.9
109.10136	29.3
110.06041	2.2
110.07159	2.9
110.09678	1.5
110.10433	1.0
111.04424	7.1
111.05543	1.2
111.08079	1.0
111.98447	8.9
112.01561	0.8
112.05229	0.8
112.07577	1.5
112.08727	2.0
113.05997	7.9
113.06763	0.7
113.07125	0.8
113.08253	1.5
113.09622	0.7
113.96384	45.6
114.06653	3.2
114.10270	0.8
114.93937	0.6
117.06995	1.3
119.08568	4.0
120.05686	0.7
123.04426	1.3
125.02367	0.8
127.03905	3.9
127.07541	3.4
127.08660	0.6
129.99498	5.8
131.97414	43.2
132.95810	22.1
132.97429	0.9
137.02332	0.9
137.05977	2.5
137.08006	0.9
137.09587	14.8
137.13148	0.6
138.05559	0.7
138.06625	1.6
138.09102	4.1
138.10002	0.8
140.04704	1.4
141.01823	1.9
149.97231	3.1
149.98384	0.9
150.96861	58.2
154.98969	4.5
155.03452	2.8
155.07016	14.2
155.08127	1.4
155.09122	2.4
155.10666	7.8
155.11841	0.8
155.12901	2.6
155.14215	1.3
155.97415	3.2
156.07660	1.7
156.10129	3.1
156.11298	0.7
168.97958	2.2
173.98412	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0854
Annotation	Acenaphthene
Peak:m/z	Relative Intensity
50.01593	0.4
50.85125	0.4
51.02355	0.7
53.03949	3.0
55.01862	0.4
55.05498	0.8
55.08133	0.3
57.03425	0.3
66.42404	0.3
67.05482	0.9
67.38044	0.3
68.34566	0.3
70.19403	1.5
71.04972	0.4
72.93410	0.5
72.93784	7.3
74.90641	0.3
77.03915	1.0
81.03403	0.8
81.07026	0.6
83.04964	1.3
84.04488	0.5
85.16566	0.3
90.94817	1.4
91.05471	0.9
95.04961	7.3
95.08626	0.5
96.44459	0.4
97.85472	0.3
98.20795	0.4
98.98441	2.1
99.04455	0.4
99.57227	0.3
103.05466	2.8
105.04486	1.3
108.95911	0.5
109.02863	0.3
109.06517	0.6
109.10146	0.4
110.06013	0.6
111.04401	0.8
113.05999	1.0
113.96385	3.5
115.05445	21.8
116.06236	1.2
127.05421	2.2
127.07610	0.3
127.34679	0.3
128.06209	15.6
129.07001	18.4
130.07312	0.8
131.69617	0.3
131.97412	3.4
141.06982	0.8
145.06458	7.0
149.97253	0.6
150.96916	0.5
152.06213	4.9
153.06979	44.6
154.07776	21.5
154.98973	0.7
155.06027	5.2
155.08537	100.0
156.06476	0.6
156.08897	5.9
167.00208	0.3
169.06474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0337
Annotation	3,4-Dihydroxybenzoate
Peak:m/z	Relative Intensity
51.02378	1.0
51.93241	0.5
53.03936	7.1
55.01867	2.2
55.05499	5.1
55.93518	1.1
56.96563	1.3
57.03441	0.9
57.07060	1.5
58.06585	0.6
59.06106	0.6
59.99724	0.5
65.03933	1.7
67.05493	10.6
68.05014	1.2
68.99789	1.4
69.03419	2.7
69.07055	3.2
70.06563	1.0
70.69508	2.2
70.95861	5.8
71.01320	0.7
71.04981	2.3
71.08630	2.3
72.04482	1.2
72.08117	0.8
72.93777	100.0
73.93806	1.1
79.01839	5.5
79.05495	1.7
81.03403	46.2
81.07035	9.8
82.03739	0.8
82.06568	1.4
83.04962	8.7
83.08596	1.0
84.02122	1.1
84.04500	0.6
85.02901	1.0
85.06535	4.9
88.96893	2.6
89.02361	0.6
90.94810	32.5
93.03406	0.7
93.07024	1.5
95.01311	1.7
95.04956	5.8
95.08574	5.0
96.05593	1.4
97.02867	1.9
97.06510	1.6
97.10142	0.9
98.07202	1.2
98.98458	8.5
99.04451	3.1
99.08091	1.8
107.01322	1.2
108.95835	7.3
109.02859	92.2
109.06487	2.8
109.07623	2.3
109.10137	6.6
110.02470	0.7
110.03215	2.8
110.06017	2.1
110.07153	2.1
110.09671	0.7
111.04425	7.1
111.08035	0.9
111.98482	2.1
112.01565	20.1
112.08719	2.7
113.05989	5.2
113.07050	0.7
113.08225	1.5
113.09541	0.8
113.96378	50.9
114.05523	0.7
114.06657	1.5
114.10266	0.6
114.96512	0.9
123.00760	0.6
123.04412	1.6
125.02285	0.9
127.03897	18.6
127.07556	3.7
127.08497	0.7
129.05479	1.2
129.06976	0.8
129.99469	1.3
131.97415	52.4
132.95825	5.2
132.97635	0.7
137.02324	4.1
137.05945	2.5
137.07979	1.0
137.09586	1.1
137.13185	0.9
138.05528	0.9
138.06584	1.5
149.97195	1.5
149.98392	1.5
150.96861	15.6
150.98000	1.3
153.06979	1.6
154.99005	8.4
155.03366	29.6
155.07007	12.9
155.08488	6.1
155.10493	0.8
155.12903	3.5
155.14281	2.5
155.97391	1.4
156.03723	1.1
156.07968	1.0
168.97966	1.2
173.98499	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01854	4.5
55.05503	9.9
55.93514	2.6
56.05019	1.5
56.96547	4.3
57.03422	5.0
57.07057	1.5
58.99858	5.1
65.03920	3.7
67.01860	1.8
67.05498	15.7
68.04996	1.3
68.99783	2.5
69.03419	7.5
69.07054	2.3
70.02912	1.0
70.06578	1.9
70.13185	5.7
70.95861	8.8
71.01334	2.5
71.05006	2.5
72.93779	20.2
73.02890	2.9
77.00912	5.1
78.52941	2.8
79.05492	2.5
80.05037	1.2
81.03413	8.8
81.07050	10.1
82.01423	1.7
82.03009	1.0
82.06564	5.0
83.04974	19.5
83.06071	3.2
84.04472	1.5
84.08130	1.6
85.02876	4.1
85.06534	2.1
86.06044	2.0
87.19647	1.0
88.96889	3.8
89.02367	1.5
90.94804	7.4
91.05457	2.6
93.03400	2.2
93.04526	3.2
93.06990	0.9
94.99817	1.3
95.01334	5.5
95.01882	1.6
95.04958	10.7
95.06074	4.4
95.08585	4.6
96.04456	1.4
96.74084	1.0
96.75950	1.1
97.02877	1.8
97.06521	1.7
98.06087	1.0
98.09686	6.9
98.98470	5.8
99.04443	9.2
100.02467	15.9
101.00847	8.6
103.02431	4.0
105.00354	1.2
108.95841	2.8
109.02885	14.1
109.06525	9.4
109.07610	2.6
109.10125	7.9
110.06001	4.7
110.07156	38.7
111.04434	17.8
111.08036	1.7
111.83931	1.1
111.84669	1.3
111.98475	2.6
112.01576	5.8
113.00855	8.5
113.02327	2.6
113.06001	12.3
113.96382	6.9
115.02444	2.2
118.01064	1.4
118.03513	14.8
119.01907	66.7
120.01971	1.8
121.03487	2.0
123.04390	3.4
127.03896	21.2
127.07553	7.3
127.08524	1.5
128.07066	2.7
129.05449	2.9
129.99518	2.8
130.06271	2.8
130.56363	1.2
131.01892	100.0
131.89832	1.0
131.96143	1.4
131.97429	7.0
132.01950	11.2
132.05042	9.1
132.95763	6.2
133.01549	1.4
133.03445	10.8
137.02997	23.4
137.06007	5.4
137.07895	1.3
138.05505	3.0
138.09178	1.2
140.04645	3.1
141.01779	1.9
141.05011	1.3
142.03491	18.7
145.03435	2.5
147.04999	1.3
149.02945	34.3
149.97144	5.4
150.03047	2.4
150.06116	6.4
150.85156	1.0
150.96884	21.8
151.04514	4.4
154.03484	6.2
154.24805	1.1
155.01878	7.0
155.03398	13.4
155.04475	1.6
155.07019	35.5
155.08249	4.7
155.10645	1.8
155.11800	1.4
155.97406	1.3
156.04059	5.1
156.06532	2.8
156.07663	1.9
156.10208	3.4
156.13857	1.2
160.04546	6.4
165.05103	2.0
172.95258	1.5
173.02975	14.5
173.98473	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.69352	0.9
53.03931	1.7
55.01851	2.7
55.05502	9.5
56.96540	1.6
57.03413	3.2
57.07053	1.2
59.04757	0.8
59.04994	8.5
65.03608	1.3
65.03931	15.9
65.87251	0.9
67.05494	30.5
68.05003	1.7
68.96315	1.0
69.03400	4.6
69.04546	1.7
69.06731	1.3
69.07059	15.5
69.63072	7.4
70.06561	2.2
70.94243	6.3
70.95860	1.3
71.04978	10.7
71.06082	1.2
71.35406	0.7
71.94086	2.7
71.95245	1.3
73.06533	1.2
77.01538	0.9
79.05478	14.6
81.03420	1.4
81.07040	23.9
83.04966	9.3
83.08610	5.6
85.06536	0.9
87.04434	2.1
88.95271	1.9
88.96862	0.9
91.05469	11.5
93.03394	5.6
93.07030	46.2
95.04938	7.6
95.06071	1.2
95.08594	34.7
97.02914	0.9
97.03999	1.1
97.05946	1.3
97.06521	20.1
105.04441	1.1
105.06997	4.5
107.04911	3.8
107.08576	71.5
108.04495	1.4
108.08868	1.6
109.02860	1.0
109.06487	3.8
109.07607	2.0
109.10138	100.0
110.03628	3.3
110.07133	1.9
110.10467	3.1
111.04428	31.1
111.08054	6.8
111.96840	2.9
112.08687	3.0
112.24757	0.9
113.05847	1.1
117.07001	2.1
118.06535	1.0
119.08550	1.3
121.02853	6.7
125.05976	12.2
125.09587	2.3
126.05518	1.2
126.53665	1.0
129.97861	2.6
135.04387	1.6
135.08044	4.1
135.11670	42.0
136.07532	3.7
136.08543	1.9
136.11971	1.7
136.85422	0.9
138.06746	0.9
148.97314	1.6
153.05418	6.8
153.06836	2.6
153.09164	4.7
153.10156	2.0
153.11382	4.8
153.12709	57.6
154.04918	2.1
154.08575	1.2
154.09709	1.5
154.13075	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03939	2.5
55.01859	2.4
55.05506	14.8
56.05021	1.4
57.03432	4.3
57.07071	1.8
59.04992	3.2
60.19535	0.7
63.05045	0.7
65.03936	25.4
67.05497	16.6
68.05012	2.9
68.96340	0.7
68.99800	1.0
69.03432	4.2
69.04539	1.3
69.07058	14.2
70.06580	2.9
70.94252	6.6
70.95863	1.3
71.04992	4.4
71.05311	0.8
71.35511	1.2
71.94090	1.8
72.04494	0.8
72.08139	2.4
73.06569	0.8
79.05485	18.1
80.04978	0.8
81.03405	1.5
81.04507	1.3
81.07046	17.3
82.06594	0.8
83.04968	20.6
83.06062	1.3
83.08624	4.8
84.08118	1.0
85.06544	0.9
87.04449	2.6
88.95277	2.0
91.05458	10.5
91.18067	0.8
93.03399	7.6
93.07034	72.2
94.06533	0.9
94.07348	2.1
95.04966	7.6
95.06075	2.8
95.08595	55.5
96.08929	1.7
97.02877	1.1
97.06517	20.6
97.07568	1.3
105.07024	3.9
107.04941	5.8
107.08580	100.0
108.08185	1.2
108.08916	2.6
109.02895	0.9
109.06528	4.1
109.07603	3.1
109.10146	22.1
110.03635	4.7
110.07153	1.3
110.10487	0.9
111.04430	42.3
111.08044	6.6
111.09189	2.3
111.96873	3.2
112.04758	1.3
112.08737	3.8
112.96682	0.9
113.05845	2.0
117.07032	1.0
119.06049	1.5
121.02884	1.4
125.02258	0.7
125.05981	16.8
125.06918	1.3
125.09618	2.8
126.05531	1.5
126.09113	0.7
126.10255	1.8
129.97897	3.1
130.96307	1.3
130.97685	0.9
132.03300	0.7
134.05983	1.0
135.04407	2.1
135.08092	3.3
135.11682	39.3
136.07558	5.4
136.08621	1.6
136.12010	1.7
138.03125	0.7
148.97348	2.2
153.01889	1.9
153.05441	9.3
153.06581	0.7
153.09155	4.2
153.11366	8.6
153.12740	26.6
154.04984	2.7
154.08633	2.5
154.09743	1.9
154.13058	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Perillyl alcohol
Peak:m/z	Relative Intensity
53.03939	2.1
55.01860	2.7
55.05508	12.9
57.03424	5.8
57.07071	2.5
59.04996	1.5
65.03934	10.2
67.05500	34.6
68.05016	1.1
68.05804	0.8
68.36339	0.6
69.03413	3.9
69.07063	55.9
70.06596	0.8
70.07395	1.9
70.94256	4.8
71.04976	2.7
71.35866	1.4
71.94100	5.4
71.95256	3.1
74.13517	0.6
77.03900	0.6
79.05486	31.9
80.05019	1.6
80.05829	0.9
81.03415	1.3
81.07052	41.6
82.07417	0.8
83.04969	7.1
83.08609	6.8
85.02934	1.2
85.06544	2.8
87.04457	1.8
88.95300	1.5
91.05465	6.5
92.29091	0.6
93.03394	2.8
93.07036	49.0
94.07338	1.2
95.04951	3.8
95.08604	20.0
97.06525	24.3
105.07024	2.4
107.04945	4.7
107.08585	54.7
108.04469	1.9
108.08135	0.9
108.08905	1.8
108.97808	0.6
109.06538	2.2
109.10149	39.2
110.03647	3.2
111.04467	16.2
111.08086	7.7
111.11670	0.7
111.96866	2.1
112.04025	0.7
112.04779	1.9
112.96710	1.9
118.06564	0.9
122.02451	0.8
125.05982	10.1
125.09592	1.1
126.05485	1.6
126.06315	1.5
129.97902	2.4
130.97701	1.0
133.10046	0.8
135.04449	1.6
135.08092	1.6
135.11682	100.0
136.03941	2.1
136.07536	3.5
136.12000	3.2
138.03140	2.1
138.05054	2.4
152.06206	0.8
153.01863	2.0
153.04213	1.7
153.05457	10.6
153.07446	8.5
153.09224	3.4
153.12732	76.8
154.04924	4.0
154.08601	1.8
154.13060	2.2
154.15909	1.6
160.49617	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0705
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
53.03926	3.9
54.03458	2.0
55.01861	3.1
55.05502	6.8
56.05021	5.1
56.96558	17.0
57.03408	2.0
57.04547	1.4
58.06581	2.0
60.04516	0.9
61.02913	1.0
65.03928	18.9
67.02967	1.9
67.05492	5.8
67.89574	0.8
68.05019	9.7
68.99764	0.9
69.03422	6.1
69.04546	2.7
69.07063	6.3
70.02939	1.7
70.06583	13.9
70.35899	4.1
70.94245	2.5
71.04961	1.4
72.08144	1.7
73.02896	1.6
74.97623	1.0
79.05482	30.4
80.05012	11.7
80.05811	1.3
81.03415	6.1
81.04543	5.7
81.05791	1.8
81.07042	5.6
82.02936	1.1
82.06561	7.1
82.07368	1.2
83.04977	9.6
83.06094	8.2
84.04504	1.5
84.08132	3.3
85.02885	2.9
85.07679	1.3
90.01512	1.6
91.05470	3.1
92.90058	1.8
93.03379	4.2
93.04527	2.3
93.05776	1.1
93.07030	4.0
94.06554	10.8
95.04974	9.6
95.06068	6.9
95.07352	1.4
95.08603	2.7
96.04459	5.3
96.06818	2.4
96.08125	13.4
96.08750	1.2
96.08968	0.8
97.02867	3.1
97.04037	1.3
97.06529	6.1
97.07634	12.5
98.20721	0.9
98.97572	9.0
99.05539	1.2
103.67874	0.9
105.04478	1.2
105.07011	1.4
106.06546	35.7
106.07240	1.4
107.04940	100.0
107.06087	4.2
107.08557	5.4
108.04460	8.7
108.05276	2.7
108.08125	5.2
108.08797	1.3
109.02843	8.5
109.06477	3.5
109.07615	17.6
109.10123	3.1
109.21263	1.1
110.03580	4.8
110.06038	3.8
110.07139	2.0
110.08379	1.4
110.97547	1.1
111.04431	35.1
111.05566	4.1
111.08054	2.8
111.09208	8.0
112.04832	1.0
112.06294	2.2
112.09969	4.1
113.05862	6.9
116.98595	7.7
119.01898	1.7
120.06856	1.1
121.02806	1.6
122.07188	1.3
123.04420	1.7
123.05559	1.2
123.06830	1.0
124.02180	1.4
124.03929	5.3
124.04730	1.1
124.07589	13.3
124.08479	2.4
125.05968	15.1
125.07085	4.0
125.10708	1.5
126.05559	1.4
126.06581	1.5
128.02333	1.2
128.98607	4.9
129.97890	2.3
132.69499	0.9
133.01740	1.5
134.06017	26.6
134.07097	4.9
134.99652	6.1
135.04401	60.6
135.05450	3.9
135.08069	2.4
135.09140	10.0
135.11652	1.3
136.04759	2.4
136.07585	1.1
138.03117	1.7
143.01868	2.3
146.97424	1.6
146.99638	8.8
147.01346	2.6
147.04970	2.1
152.01625	9.8
152.03304	3.2
152.04440	1.5
152.05676	13.7
152.07037	49.7
152.08174	9.7
152.10655	7.5
152.11797	15.3
152.74037	1.1
153.00728	1.1
153.04048	7.6
153.05464	10.4
153.07568	3.1
153.09099	2.5
153.10223	1.4
153.11324	2.6
153.12689	2.7
159.03212	1.1
161.02939	3.4
165.06149	1.8
170.99657	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0566
Annotation	Guanine
Peak:m/z	Relative Intensity
53.01421	0.3
55.02986	0.5
56.96561	2.5
57.03416	1.2
61.02906	0.3
65.03926	1.0
65.91216	0.2
67.05474	0.4
68.05012	0.6
70.06571	0.5
70.92279	0.8
75.01899	0.3
79.05498	0.4
80.04983	0.5
82.04054	0.8
83.04958	0.7
84.02406	0.7
84.99242	0.3
85.01384	0.5
85.02889	0.6
91.02405	0.4
94.06560	0.7
96.04543	0.3
96.08128	0.4
97.02886	0.5
97.07624	0.4
98.97571	0.7
100.02472	0.8
101.00887	0.3
103.02423	1.7
104.01315	0.3
106.06560	0.4
107.03559	0.6
107.04904	0.6
108.04459	0.4
108.08116	0.5
109.05122	1.7
109.07632	0.5
110.03510	9.3
110.52194	0.3
110.97539	0.8
111.04429	0.9
111.09195	0.4
115.02452	0.4
116.98634	0.3
117.03925	0.3
119.01894	1.8
121.01645	0.8
121.03491	0.9
124.01876	1.1
124.07573	0.4
125.05997	0.8
126.05355	0.4
128.04547	6.0
128.97768	0.4
128.98619	1.1
129.03938	0.6
131.01823	0.5
133.03464	0.8
134.03719	0.4
134.04601	1.4
134.05994	1.1
135.03008	15.2
135.09145	0.5
136.01427	0.5
137.02945	0.5
143.02026	0.3
146.99667	1.4
147.01389	2.3
147.05028	2.7
151.95891	0.4
152.05655	100.0
152.10654	0.9
153.04060	35.0
153.05878	1.3
154.02441	0.7
154.04404	0.5
161.02942	0.4
165.06096	0.9
170.02985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0752
Annotation	Tolylacetate
Peak:m/z	Relative Intensity
53.03943	4.2
55.01870	12.5
55.05507	8.5
56.96550	1.3
57.03419	2.3
65.03934	6.5
66.36240	0.8
67.05499	44.3
68.05019	4.1
68.05844	1.0
69.03424	22.0
69.07054	1.6
71.01339	1.1
71.04977	1.4
77.03940	1.0
79.05485	26.9
80.04995	1.0
80.05813	1.6
80.06248	1.8
81.03422	4.3
81.07047	44.0
82.07380	1.3
83.04957	1.8
83.06095	2.0
85.02892	1.5
91.05471	22.1
93.06493	1.6
93.07034	20.8
94.04195	4.8
95.01305	1.1
95.04958	14.4
95.08597	77.8
96.04448	1.2
96.08116	1.6
96.08913	1.6
103.05475	4.5
105.07022	55.3
106.06512	1.2
106.07330	2.4
107.04950	10.9
107.08586	6.8
108.05714	6.8
109.06508	100.0
109.10143	7.1
110.07104	4.5
111.04424	1.6
111.07272	1.2
111.07963	10.6
112.08383	0.9
115.05447	1.4
119.04945	1.8
119.06094	0.8
121.05172	1.0
121.06502	1.4
122.07270	3.0
123.04410	2.9
123.08056	47.6
123.11709	3.5
124.07549	2.1
124.08512	2.7
133.06487	19.2
133.10103	6.7
136.08774	1.2
151.02756	2.9
151.03896	11.1
151.04999	2.9
151.07529	78.3
151.09731	4.7
151.11142	16.8
152.01633	2.1
152.07031	2.7
152.08032	2.1
152.10661	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0751
Annotation	Tolylacetate
Peak:m/z	Relative Intensity
51.12349	1.5
53.03932	4.8
55.01865	10.8
55.05494	6.2
65.03928	4.8
67.05495	46.3
68.05023	3.7
69.03422	22.2
69.07056	2.1
69.63493	15.3
77.03944	2.1
79.05488	28.7
81.03395	3.8
81.07044	50.2
83.06094	2.9
91.05479	23.2
93.07040	18.7
94.04182	5.3
95.04937	13.6
95.08595	79.4
98.20700	2.9
103.05451	6.6
103.72115	1.7
105.07012	55.7
107.04949	9.9
107.08575	7.6
108.05711	9.3
109.06505	100.0
109.10134	8.0
110.07098	5.6
111.07947	12.1
121.06508	2.1
122.07224	2.7
123.03568	2.0
123.04401	3.3
123.08051	50.0
123.11678	3.8
124.08575	2.5
133.06483	18.3
133.10101	7.0
141.05470	3.0
151.02827	2.6
151.03891	8.2
151.04970	3.1
151.07524	75.3
151.08743	3.6
151.09776	4.5
151.11105	16.9
152.08002	2.1
165.24359	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0548
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
50.14883	0.6
51.58865	0.5
51.68904	0.5
53.03942	5.3
55.01859	1.3
56.05025	1.8
56.96560	2.6
57.03419	1.2
61.01147	0.8
64.61633	0.6
65.03934	8.2
66.04266	3.3
67.05496	32.6
68.05028	2.3
68.05818	0.9
69.03426	1.4
69.35498	0.5
70.06554	0.8
70.09195	2.9
72.04478	0.6
72.93779	0.9
73.02923	0.7
73.09100	0.5
74.02438	5.2
75.05595	0.7
76.03999	1.0
77.03905	0.7
79.05481	6.2
80.05002	1.8
81.03419	1.7
81.07027	1.5
82.06573	2.2
83.06102	0.9
84.08128	1.3
85.02924	0.5
88.03990	0.8
90.90388	0.9
90.94836	0.9
91.05472	4.7
93.03383	0.9
93.05784	2.1
93.07030	1.5
94.03735	1.2
94.06557	79.2
95.04943	5.6
95.06083	1.5
95.06898	2.5
95.08613	1.8
96.04478	1.7
96.08125	0.8
98.97600	0.9
101.58955	0.5
102.01891	0.6
103.74316	0.5
105.04520	0.9
105.07012	1.5
106.06539	22.4
106.07274	1.1
107.04939	0.5
107.06078	1.3
107.06841	0.9
107.08596	1.0
108.04443	1.5
108.08116	0.6
109.02887	1.0
109.06513	1.4
109.07609	5.7
109.10143	0.6
110.01254	0.7
110.06021	0.9
110.08416	7.0
111.04444	1.8
111.07925	0.9
111.53645	0.7
112.04789	0.7
112.07593	4.2
113.07926	1.6
119.01826	1.3
119.04953	2.0
121.02823	1.3
122.03181	7.0
122.06014	45.6
123.04422	1.9
123.05518	1.0
123.06360	1.0
123.08046	2.2
123.09176	4.8
130.08661	1.1
133.06509	0.8
133.07629	1.9
145.03520	1.2
148.03877	1.3
149.93999	0.8
150.02716	19.4
150.05484	100.0
150.09106	3.0
150.10239	10.1
151.02840	1.3
151.03915	3.2
151.05844	4.5
151.07474	2.3
151.08643	2.3
151.11119	1.2
168.06544	18.8
169.03581	0.6
169.06931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1166
Annotation	Desmarestene
Peak:m/z	Relative Intensity
54.87602	0.9
55.05505	11.9
63.78854	0.9
64.49442	1.0
64.92792	1.1
65.03932	2.6
67.05493	3.7
69.07056	2.1
71.34027	1.5
71.34353	1.3
79.05476	7.2
81.07066	1.1
86.78388	1.1
90.71600	1.0
91.05473	44.6
92.05809	2.3
93.07018	4.4
95.04949	2.5
102.35245	1.0
103.05442	6.0
104.06271	1.1
105.07020	98.6
106.07332	5.5
107.08562	5.5
115.05492	1.8
116.06215	1.4
117.07005	19.0
119.04922	7.1
119.08569	100.0
120.04442	1.2
120.08910	4.6
123.96431	2.1
129.06979	2.7
131.08565	2.8
132.09314	7.0
145.10124	6.6
147.04419	5.5
147.07965	2.2
147.11674	51.7
148.03883	1.5
148.11993	3.7
155.80046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.51292	0.5
61.14542	0.5
63.30479	0.6
65.03934	9.9
70.99432	1.9
79.05496	0.6
91.05467	100.0
92.05808	3.6
105.07016	2.2
117.07001	0.8
119.04926	88.3
119.08558	2.2
120.05249	5.2
123.60503	0.6
123.96397	0.6
124.09970	0.6
147.04395	29.3
147.05559	1.5
147.08060	1.1
147.11632	0.8
148.04784	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1166
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03936	1.8
55.05500	12.2
64.92805	1.3
65.03942	1.4
67.05487	5.5
69.07046	3.3
71.52023	0.9
71.52348	1.8
74.61634	0.8
79.05482	9.6
81.07053	3.6
91.05466	47.0
92.05775	2.3
93.07026	3.7
95.04954	2.2
103.05450	5.1
103.73043	1.0
104.06195	1.2
105.07014	87.6
106.07333	4.6
107.08574	6.8
115.05419	1.7
116.06223	1.4
117.07005	18.9
119.04939	5.7
119.08562	100.0
120.08855	5.5
121.81294	0.9
123.96452	4.0
130.07713	1.3
131.08556	2.5
132.09360	8.5
137.86217	1.0
145.10107	6.3
147.04405	2.7
147.08051	1.7
147.11665	44.8
148.11995	3.7
157.93605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
53.94022	0.4
55.05485	0.5
55.29977	0.4
64.92798	1.1
65.03928	11.5
69.09459	0.4
71.43050	0.9
72.08143	0.5
73.57434	0.4
75.11835	0.5
78.44522	0.5
79.05485	1.0
81.03381	0.7
81.79417	0.5
84.04496	1.1
89.47736	0.4
91.05468	100.0
92.05793	3.4
95.04962	0.6
99.39468	0.4
103.05420	1.0
105.04554	0.4
105.06989	2.7
107.04911	0.8
108.06841	0.5
117.06972	1.1
119.04927	80.0
119.08540	3.5
120.05245	3.9
123.96462	1.3
129.06973	1.2
132.05704	0.6
147.04396	31.1
147.05414	1.3
147.08032	2.3
147.11682	0.9
148.03761	0.8
148.04776	1.7
148.07512	0.6
148.08598	1.0
160.72374	0.4
167.94699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.8
52.69754	0.6
53.03943	3.3
55.01872	1.7
57.03424	1.2
59.04993	0.7
62.92984	6.5
65.03934	0.8
67.01854	0.6
67.05489	0.9
67.27351	0.5
69.03421	1.5
69.94189	1.2
69.94612	2.3
71.04986	8.5
71.06885	0.5
71.84927	0.6
79.05485	2.5
81.03419	3.0
85.02891	4.6
87.04448	2.3
88.01528	0.5
91.05469	16.9
97.02888	1.8
99.04449	21.4
100.04814	0.9
100.07616	1.1
103.05447	4.3
105.07019	88.3
106.07341	3.1
115.05430	9.0
116.06271	2.8
117.07008	28.1
118.06551	1.2
118.07376	1.5
121.96637	10.4
127.03933	3.3
127.04707	0.6
128.06201	7.6
129.06998	13.9
130.07779	54.5
131.08105	1.9
143.08549	11.5
144.98187	1.7
145.03908	1.0
145.05019	1.8
145.06502	1.8
145.10109	100.0
146.06009	2.1
146.09549	0.7
146.10489	5.5
155.05994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0598
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
53.03925	1.0
57.02458	0.9
58.06586	2.3
59.06126	1.1
64.92790	1.4
65.03928	2.1
70.75714	2.0
70.76105	1.7
71.04970	1.8
72.05316	1.2
72.08146	17.7
82.06559	1.5
84.04482	1.9
84.08126	3.0
85.69438	0.8
86.06064	1.3
88.07611	1.0
91.05470	42.5
100.04771	2.8
100.07605	3.8
103.05456	1.3
105.06956	1.0
112.11246	4.6
116.42025	0.9
117.05762	8.1
118.06528	100.0
119.04930	8.9
119.06120	1.1
119.06833	4.4
119.08569	1.1
123.96452	1.0
128.04953	29.1
129.10237	1.0
146.05991	81.6
147.04456	4.4
147.06334	3.2
147.07986	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
54.55891	1.0
55.01855	3.7
56.96521	1.1
57.03424	3.3
57.58042	1.2
62.92731	0.8
62.92978	8.8
67.05493	2.4
69.03400	3.4
71.01309	1.8
71.04988	14.7
77.73573	1.0
79.05473	2.6
81.03410	5.4
82.06559	1.5
85.02895	8.9
91.04913	1.6
91.05470	19.6
95.04945	1.2
97.02876	2.5
98.20667	2.1
99.04444	37.8
100.04787	1.2
100.07584	2.5
103.05453	4.4
105.07014	83.1
106.07366	2.6
110.12762	0.9
115.05428	14.5
116.06229	3.1
117.07008	34.5
118.06515	4.1
118.07309	2.1
121.96633	13.2
123.08038	1.1
127.03893	6.6
128.06206	7.8
129.06985	12.9
130.07774	53.3
131.08142	2.6
143.08556	9.9
145.03865	2.0
145.05011	2.8
145.06461	6.4
145.10104	100.0
146.06027	5.5
146.10519	5.2
155.05980	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1018
Annotation	D-proline betaine
Peak:m/z	Relative Intensity
50.84596	2.7
53.03909	3.2
56.62886	3.2
57.03421	5.6
58.06591	35.2
60.04520	5.1
62.92982	63.4
67.65798	3.3
69.64198	6.9
69.64615	22.6
70.06573	9.8
71.04974	3.6
72.08151	3.7
84.04497	4.9
84.08148	28.5
85.02914	19.5
91.05489	3.0
98.06036	8.6
98.09679	5.7
99.04436	6.7
105.07005	4.1
121.96631	100.0
127.03890	3.7
140.01762	3.0
144.03766	5.0
144.06549	3.6
144.08078	11.3
144.10179	72.3
144.98203	12.9
145.10130	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37171	0.7
53.01143	0.7
53.03946	0.7
55.01865	2.2
55.05518	0.8
57.03422	1.0
58.06601	1.9
60.04521	1.0
65.03938	1.5
69.03417	13.1
70.06580	1.7
70.64676	0.7
71.75368	0.7
84.04489	0.9
84.08134	1.7
85.02888	6.4
85.06544	0.8
91.05464	4.5
97.02872	10.7
98.06047	3.0
98.09631	0.9
103.05456	3.4
115.05427	7.8
115.65475	0.7
124.91288	0.7
125.02334	10.1
126.05513	1.0
127.05417	2.7
128.06203	100.0
129.06499	5.2
141.06950	5.1
142.07494	1.4
143.03374	88.7
143.07402	1.1
143.08531	22.6
144.03732	4.7
144.06525	2.1
144.08064	3.0
144.09035	1.5
144.10147	9.1
145.06461	5.2
153.59496	0.7
155.06009	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17418	3.1
66.76698	2.9
71.22845	6.0
85.33791	3.1
101.00864	16.4
101.85416	2.6
118.03488	5.5
119.01913	100.0
133.35336	3.0
136.04506	3.9
137.02948	35.1
142.03510	20.9
143.03340	3.5
158.03087	3.7
160.04573	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
67.75703	2.0
69.03420	3.3
69.41422	1.9
69.74493	15.2
97.02886	3.1
97.36000	2.1
100.02470	5.1
101.00867	20.1
109.89340	2.0
118.03507	10.8
119.01914	100.0
120.01981	4.3
125.02341	3.7
136.04552	5.9
137.02962	36.7
142.03474	21.4
143.03381	28.0
160.04543	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55950	1.2
50.90919	1.1
55.01872	1.7
56.05022	3.1
57.03425	1.2
58.99849	2.2
59.82204	1.0
61.65480	1.1
68.59857	1.2
69.03410	4.4
70.06561	1.2
70.99847	1.7
71.02032	2.6
71.02370	1.1
73.02919	1.5
77.00891	3.7
79.51884	1.5
81.03387	2.0
81.04534	2.1
84.08121	3.6
89.00900	1.4
95.06059	1.8
96.08099	1.2
97.02861	3.0
98.97541	1.2
99.09159	1.3
100.02472	3.6
101.00871	17.0
118.03503	4.2
118.96785	1.7
119.01910	100.0
124.02458	1.5
125.07091	1.3
136.04526	2.7
137.02945	32.4
137.03957	2.5
141.02681	1.1
142.03461	11.3
142.09714	1.1
143.03384	28.8
143.08145	1.6
160.04552	4.9
161.02956	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03457	2.9
56.05029	6.4
56.96559	41.2
57.93555	1.2
59.06102	2.3
61.60168	1.2
62.76236	0.9
67.05483	1.9
68.05014	1.5
71.23228	1.8
71.95248	6.5
72.04485	1.6
78.61449	0.9
79.37271	1.0
81.04539	2.8
83.06094	4.9
84.01501	1.4
84.04472	2.0
94.06574	2.2
95.01353	5.0
95.06078	4.8
96.04473	1.6
96.05586	3.2
97.06355	1.1
98.07174	3.2
98.97572	100.0
99.05563	3.6
99.97919	1.3
100.06352	1.2
113.02341	1.5
113.07095	2.3
116.97257	3.0
116.98607	99.2
117.98974	1.3
122.07149	2.1
123.05519	5.1
129.86810	1.2
134.99641	58.5
135.03087	2.2
136.00160	1.2
140.00200	3.3
140.03407	2.3
140.08179	9.5
141.01793	1.9
141.06596	1.7
153.00694	10.6
158.01253	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.018
Annotation	5-Formyl-2-furoate
Peak:m/z	Relative Intensity
50.79911	0.8
53.00281	0.8
55.62135	0.6
57.03420	2.7
59.93093	0.8
62.03933	0.7
67.01835	1.0
67.05483	1.2
68.99785	7.9
69.03406	1.3
69.95293	2.5
69.95708	1.4
71.01331	1.2
77.50537	0.6
81.03441	0.8
85.02892	13.6
86.03232	0.7
95.01315	100.0
95.04919	1.0
95.08594	1.4
96.01653	4.4
97.02886	2.9
97.06481	1.1
99.00795	2.7
109.83665	0.7
113.02355	8.1
115.05462	1.2
118.96726	1.5
122.94924	0.7
123.00745	6.7
141.01802	16.2
141.05434	1.2
141.06978	3.2
142.02164	1.2
142.08606	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1116
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
52.54280	1.0
53.03942	1.9
54.03460	5.9
55.01855	3.9
55.05488	5.4
56.03765	1.6
56.05030	12.8
56.24377	0.9
56.96566	13.7
57.03428	1.4
57.04567	2.6
57.07059	3.9
57.93554	4.4
58.02952	1.6
58.06578	2.0
59.04978	2.2
59.06100	3.5
64.21490	1.0
65.03931	8.1
67.02969	1.4
67.05494	5.1
67.36684	1.1
68.05021	3.1
68.99789	1.4
69.01715	1.2
69.03423	100.0
69.07070	6.2
69.73998	8.5
70.03751	1.9
70.06575	3.3
71.06106	6.7
71.95252	2.0
72.04506	2.0
79.05493	8.5
80.05000	1.6
81.04527	5.0
81.07043	3.2
82.02934	2.7
82.06585	2.0
83.04970	17.6
83.06094	7.4
84.04475	3.5
86.96457	1.1
91.05462	4.9
93.03413	1.3
93.07031	14.1
94.06540	4.0
95.04982	6.2
95.06088	7.8
95.08583	9.7
96.04520	1.3
96.05614	8.3
97.02852	1.7
97.06517	19.1
97.07627	3.4
97.10142	1.5
98.06110	1.4
98.07178	17.7
98.97574	25.1
98.98451	12.9
99.05569	6.1
103.05485	1.3
105.04415	1.7
105.07018	8.1
111.04433	11.8
111.05533	1.2
111.08055	3.2
112.03954	3.0
112.08710	4.7
113.07115	4.6
116.97279	8.3
116.98603	25.6
121.02880	1.6
121.03973	1.1
121.06496	1.3
121.10132	12.6
122.07144	10.9
122.10445	1.1
123.05551	17.7
123.08044	2.3
123.09131	1.3
128.03488	1.1
130.84877	1.0
133.01163	1.1
134.99641	27.8
139.03885	3.4
139.04979	1.4
139.07610	2.4
139.09769	7.5
139.11166	41.5
140.00128	1.3
140.03403	2.8
140.07112	2.6
140.08153	15.8
140.11548	2.6
141.06578	2.5
153.00636	5.1
158.01234	1.3
158.59387	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
51.10410	1.4
53.03925	4.3
55.01864	1.9
55.05512	8.1
57.07065	10.1
63.11416	1.3
65.03934	3.3
67.05500	33.1
69.03417	1.4
69.07064	9.0
69.69711	11.9
79.05486	8.9
79.05875	1.3
80.25727	1.5
81.07048	76.4
82.06503	1.6
82.07397	1.9
91.05458	15.3
93.07037	12.4
94.04156	5.6
95.04952	7.9
95.08598	100.0
96.04469	1.6
96.08897	3.9
97.06395	3.0
106.34905	1.4
109.06496	4.6
109.10158	8.8
110.01533	2.1
110.06020	4.3
110.07159	3.9
112.64552	1.5
119.04926	3.3
120.04453	4.3
122.03635	5.5
122.07268	1.7
131.07465	1.5
137.02475	9.3
137.05887	12.0
137.08099	1.8
137.09604	5.1
137.13242	9.5
138.01762	3.3
138.05508	10.0
138.06502	2.3
138.09106	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03931	4.3
55.01857	2.2
55.05500	16.7
57.03421	1.9
57.07072	7.5
57.10868	1.3
65.03917	5.7
67.05494	93.2
68.05826	2.8
69.03416	4.1
69.04541	2.4
69.07054	12.5
70.09806	8.4
79.05479	22.4
80.05788	1.9
81.03390	2.1
81.04536	3.7
81.07043	97.4
82.06574	2.6
82.07384	4.9
83.06097	2.0
91.05466	22.7
93.07033	17.8
94.02893	1.6
94.04173	15.6
95.04957	12.8
95.06041	2.5
95.08589	100.0
96.04465	2.4
96.05622	3.6
96.08932	3.6
97.06385	8.9
97.07641	2.6
98.04801	1.7
107.08589	5.9
109.06498	10.5
109.07662	2.1
109.10141	37.8
110.06033	3.4
110.07135	6.6
110.10431	1.8
111.05578	2.1
119.04939	3.3
119.08553	4.5
119.13882	1.4
120.04489	2.4
121.02822	1.7
122.03638	17.0
122.07273	5.9
137.02505	10.4
137.05914	26.4
137.08153	4.3
137.09592	25.7
137.13216	9.9
138.01700	3.3
138.05496	8.7
138.06473	2.4
138.09132	2.8
138.10092	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1323
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
53.03931	2.0
55.05513	7.1
56.05030	0.6
57.07072	11.3
65.03924	2.3
67.05500	29.1
68.05017	1.2
69.04520	1.1
69.07059	6.6
69.40024	2.7
69.40452	3.8
72.04498	0.6
79.05497	7.4
81.03426	0.7
81.04527	2.2
81.07050	48.4
82.06587	1.5
82.07380	1.0
91.05470	3.9
93.07047	7.1
94.04166	3.5
94.07405	0.7
95.04969	2.5
95.08599	100.0
96.05625	1.2
96.08930	4.2
97.06393	2.1
98.04796	1.1
107.08576	1.5
108.09370	0.6
109.06498	2.8
109.10146	8.7
110.06038	1.5
110.07155	2.2
111.05585	1.4
115.16147	0.9
119.08593	0.8
122.03649	3.8
122.07269	1.8
137.02435	2.5
137.05945	7.1
137.08186	2.3
137.09621	4.9
137.13237	11.3
138.05498	2.6
138.06477	1.4
138.09116	1.0
138.10181	1.1
138.13640	0.7
138.40851	0.5
159.24387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03937	2.9
54.03457	1.5
55.01863	2.7
55.05502	14.7
57.07058	1.8
61.21358	0.9
65.03928	6.3
66.04701	1.9
67.05495	100.0
68.05016	1.5
68.05825	2.7
69.03409	2.5
69.04531	1.7
69.07066	9.8
71.44616	1.0
71.44943	1.6
72.04507	1.1
72.24117	0.9
79.05481	15.9
80.06252	1.2
81.03406	3.2
81.04512	2.6
81.07045	47.5
82.06596	1.6
82.07354	1.2
83.04984	2.4
83.06084	1.3
91.05464	22.6
92.04980	1.1
92.05812	1.0
93.07030	13.8
94.02945	1.3
94.04173	10.9
94.06562	1.2
94.07836	1.1
95.04953	15.8
95.08591	32.5
95.48881	1.0
96.04481	1.3
96.05640	1.8
96.08920	1.2
97.06384	5.9
98.04797	1.7
107.04923	2.4
107.08552	6.8
109.06508	14.2
109.10144	39.6
110.06015	3.7
110.07162	5.5
110.10472	2.0
111.05544	2.1
117.07016	2.3
118.54155	0.9
119.04927	2.0
119.06112	1.3
119.08572	7.1
120.04479	2.0
120.05491	1.0
121.07559	1.0
122.03640	10.4
122.07272	5.5
137.02487	7.9
137.05923	20.5
137.07013	1.2
137.08150	2.5
137.09602	31.4
137.13246	1.8
138.01685	2.0
138.05469	7.7
138.06598	3.8
138.09111	2.1
138.10114	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03943	5.1
54.03447	1.9
55.01858	3.9
55.05499	5.7
56.03747	1.3
56.05022	1.0
57.07051	2.5
63.97359	0.8
65.03923	6.8
66.04441	0.9
66.04718	8.4
67.05497	44.7
68.05016	1.7
68.99773	1.0
69.03397	2.8
69.04532	4.5
69.07043	3.1
70.12206	4.5
72.04485	2.8
77.03877	0.9
79.02932	0.8
79.05481	16.8
80.05006	1.5
81.03427	3.9
81.04529	5.3
81.07045	38.7
82.06561	3.6
82.07360	1.0
83.06084	2.2
91.05472	28.2
92.04984	1.1
92.05786	1.5
93.07033	11.5
94.04178	54.5
94.06557	1.9
94.07805	1.7
95.04974	10.3
95.06057	3.0
95.08597	37.2
96.04448	2.6
96.05589	3.3
96.08912	1.0
97.04037	1.2
97.06387	12.4
97.07652	2.0
98.04785	2.6
98.21400	0.9
103.05417	1.3
104.06223	1.3
105.03348	1.4
105.04491	1.5
105.07004	0.9
107.04221	1.6
107.04939	26.7
107.08564	4.0
109.02818	0.9
109.06509	11.8
109.07627	1.6
109.10146	32.7
110.06042	4.5
110.07171	11.0
110.07887	1.5
110.10454	1.0
111.05521	3.8
111.09151	0.8
117.06998	1.8
119.04912	3.8
119.08575	16.5
120.04454	3.5
120.05485	1.6
121.02824	1.5
121.06499	9.0
122.03635	71.8
122.07271	90.2
123.03950	2.3
123.06786	1.1
123.07603	3.1
135.08017	3.5
137.02487	12.1
137.05945	100.0
137.08194	4.7
137.09599	74.6
138.01691	2.7
138.05443	7.6
138.06456	7.1
138.09053	1.7
138.10056	3.5
156.08273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03928	5.1
54.03451	3.5
55.01856	3.3
55.05503	18.6
56.03767	1.3
56.05015	1.4
57.03429	1.9
58.90769	1.3
65.03936	5.3
66.04702	3.0
67.05495	100.0
68.05016	2.5
68.05811	2.1
69.03400	2.3
69.04527	2.8
69.07045	8.7
69.65967	4.7
69.66393	4.1
71.88678	1.3
72.04508	1.5
79.05480	17.3
80.05008	1.7
81.03397	3.1
81.04531	8.5
81.07046	46.0
82.06581	2.2
83.04986	3.1
83.06074	2.7
91.05476	24.9
92.05779	1.7
93.04496	2.1
93.07037	14.1
94.04174	13.9
94.04732	1.8
94.06554	2.3
94.07818	1.3
95.04397	1.4
95.04959	17.4
95.06013	2.3
95.08597	27.2
96.04479	2.2
96.05589	3.9
97.03983	1.3
97.06384	14.2
97.07619	2.0
98.04762	4.6
98.05360	1.3
105.04533	1.3
105.07018	1.3
107.04923	3.0
107.08583	7.7
109.02882	1.0
109.06512	12.2
109.07262	1.0
109.07604	2.2
109.10145	38.6
110.06018	3.9
110.07159	12.3
110.10467	1.4
111.05560	5.2
114.74937	1.1
117.06982	2.9
119.04918	2.3
119.06054	1.3
119.08560	7.9
120.04490	1.8
120.05532	2.1
121.02902	1.1
121.07653	1.7
122.03626	12.9
122.07266	5.5
137.02513	9.0
137.05933	27.5
137.08191	5.0
137.09605	31.6
137.10608	1.5
138.01720	2.7
138.05457	6.7
138.06554	8.0
138.09108	2.0
138.10153	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02377	0.6
53.03939	2.1
54.03470	2.4
55.01865	0.9
55.05500	1.0
56.05029	0.9
56.96570	0.7
57.07059	0.6
65.03947	2.6
66.04711	8.5
67.05152	0.7
67.05498	5.1
68.05003	1.0
69.03429	0.6
69.04539	2.6
69.07059	0.7
69.68413	0.4
70.02946	1.1
71.19744	1.3
72.00520	0.5
72.04520	1.0
77.03914	1.0
79.02946	0.5
79.05489	5.9
81.03431	0.6
81.04529	7.4
81.05781	0.5
81.07043	6.9
81.07474	0.7
82.00776	0.4
82.06570	1.4
83.06100	2.1
83.95147	0.4
88.96967	0.4
91.05469	8.0
92.05005	0.8
92.05786	0.7
93.04521	1.2
93.07050	3.5
94.04177	54.5
94.06537	1.2
95.04483	1.1
95.05000	3.5
95.06101	1.0
95.08595	5.4
96.04495	0.5
96.05613	2.2
97.04052	0.8
97.06390	6.8
97.07646	1.2
98.04797	1.1
98.08389	0.6
105.03362	0.5
105.04505	0.7
107.04948	2.5
109.06505	3.3
109.07631	0.9
109.10150	1.0
110.06018	1.8
110.07162	5.4
111.05540	3.6
118.38706	0.5
119.04936	1.6
119.08557	0.4
120.04465	0.9
120.05583	1.4
121.03954	0.8
122.03635	73.8
122.07283	0.9
123.03925	2.8
131.43138	0.5
137.02560	2.2
137.05962	100.0
137.09579	2.2
137.10686	1.3
138.01688	0.7
138.05415	1.6
138.06386	6.3
138.10239	1.2
148.62556	0.5
148.63928	0.5
150.63243	0.5
153.47031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0594
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01585	0.7
51.02362	0.9
53.03929	3.6
54.03453	1.2
55.01854	1.3
55.05495	1.5
57.07057	1.7
63.25609	0.6
65.03931	3.2
66.04714	8.7
67.05495	11.2
68.05019	0.7
69.03414	0.7
69.04521	1.5
69.07047	1.8
71.36546	1.5
72.04503	0.9
77.03906	1.8
79.05479	8.8
80.05818	0.7
81.03387	1.8
81.04510	2.8
81.07044	15.9
82.06551	1.1
83.06076	1.1
91.05467	9.4
93.07027	4.4
94.04169	58.2
94.06554	0.8
95.04546	1.1
95.04993	4.5
95.06077	1.5
95.08587	21.0
96.05576	1.6
96.08906	1.0
97.06373	4.7
98.04763	1.2
107.04950	1.9
109.06503	5.6
109.10107	4.7
110.06049	1.0
110.07154	4.8
111.05556	1.1
119.04895	1.2
120.04470	1.3
120.05551	0.9
122.03626	71.5
122.07260	2.5
123.03936	3.5
135.04420	0.7
137.02534	4.1
137.05949	100.0
137.09598	6.0
137.13203	1.4
138.01726	1.9
138.05429	2.5
138.06367	5.8
138.09123	1.3
138.10168	1.4
138.40085	0.7
148.66182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03926	1.8
54.03460	0.8
55.01848	1.2
55.05488	0.7
56.96553	1.1
59.06931	0.6
59.43169	0.6
65.03912	2.4
66.04716	8.5
67.05485	2.8
68.05018	0.8
69.03384	0.7
69.04543	0.9
71.03701	0.6
71.46851	0.8
71.47203	0.9
77.03899	1.3
79.05481	5.5
81.03381	1.1
81.04507	1.9
81.07039	6.6
82.06552	1.0
83.06067	1.1
91.05466	6.1
93.04454	0.6
93.07024	2.3
94.04174	58.5
95.04477	1.9
95.05026	3.3
95.06025	0.7
95.08595	4.3
96.05582	1.2
97.06371	2.2
97.07561	0.6
98.04765	0.7
105.03374	0.8
107.04926	2.4
109.06487	2.7
109.10137	1.2
110.06015	0.9
110.07136	2.8
110.07810	0.6
111.05538	2.4
119.04909	1.4
120.04503	0.8
120.05550	1.6
121.03930	1.0
122.03629	73.9
123.03931	3.0
134.28493	0.6
135.04399	0.8
137.02408	2.7
137.05948	100.0
137.08183	2.5
138.01770	0.8
138.05423	1.4
138.06387	7.0
138.10231	1.1
155.19342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.88546	0.3
51.02373	0.8
53.03930	1.2
54.23486	0.3
55.01863	0.7
65.03927	2.4
66.04711	9.2
67.05481	1.5
69.03420	0.5
70.78924	0.6
71.32145	0.2
77.03916	0.6
79.05021	0.3
79.05479	5.2
81.03406	0.6
81.07050	4.3
91.05467	4.8
93.07047	0.4
94.04172	60.1
95.04397	1.5
95.05013	2.4
95.08587	2.2
96.08961	0.3
105.03363	0.9
105.04502	0.4
107.04932	2.3
109.06505	1.3
110.05997	0.4
111.04433	0.4
119.04949	0.3
122.03628	76.0
123.03963	3.3
135.04372	0.8
137.05956	100.0
138.01730	0.3
138.05441	0.7
138.06317	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.77445	0.5
51.02376	0.7
53.03945	2.1
55.01863	1.5
65.03924	2.8
66.04716	7.4
67.05498	6.5
69.03429	1.2
69.07085	0.7
69.65612	2.4
69.66035	1.9
71.04958	0.6
75.84963	0.5
79.05476	6.1
81.03378	1.2
81.07050	9.9
83.58424	0.5
91.05470	8.8
93.07050	1.8
94.04173	57.0
95.04477	1.8
95.04996	5.3
95.08588	9.7
96.04466	0.6
96.08951	0.7
98.21507	0.9
105.03384	1.3
107.04950	2.4
109.06499	3.2
109.10137	2.1
110.06035	1.7
119.04959	0.9
119.08546	0.8
120.04469	0.7
120.96301	0.5
122.03630	74.4
122.07272	1.8
123.03912	3.0
135.04333	0.5
137.02499	4.4
137.05956	100.0
137.09549	4.4
137.13263	0.9
138.01727	1.7
138.05360	3.4
138.06380	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0756
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
53.03939	0.8
54.03456	0.7
55.01845	0.3
56.96545	0.6
59.25556	0.3
62.49162	0.3
65.03932	1.7
66.04684	0.3
67.02985	0.8
67.05505	1.4
68.05023	1.8
69.03419	1.2
69.04547	0.3
70.06581	0.3
70.20587	0.3
70.98286	0.2
70.98628	0.6
71.13515	0.2
76.84358	0.3
79.05481	1.6
80.05007	2.2
80.05811	0.4
81.03414	0.6
81.04552	1.7
81.07049	3.8
82.06590	0.6
84.24081	0.3
91.05470	59.6
92.02490	0.9
92.05802	2.7
93.05767	0.7
93.07027	2.1
94.04079	6.4
94.06567	0.6
95.04977	1.6
95.06062	1.9
95.08589	2.0
96.04509	0.3
96.06866	2.5
96.13461	0.2
97.06402	1.6
105.04493	0.3
106.06521	0.3
107.04948	2.1
108.04469	0.8
108.05270	0.5
108.08125	1.2
109.01089	3.9
109.05119	0.9
109.06509	3.1
109.07617	3.2
109.10123	0.4
110.07150	1.7
111.76285	0.3
112.05069	0.7
117.05729	0.3
118.06529	3.1
118.07281	0.3
119.02679	0.6
119.03557	10.9
119.04913	12.2
120.05260	0.4
122.03632	3.3
122.07273	0.3
130.74333	0.3
131.01912	1.2
136.02153	29.2
136.06168	100.0
136.07544	14.4
136.08557	2.2
137.02460	1.7
137.04579	9.4
137.05971	5.5
137.06802	0.2
137.08044	1.5
137.09602	0.7
137.10696	0.5
137.13216	0.4
149.02905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	0.2
54.17112	0.2
67.02962	0.5
70.86337	0.5
70.86706	0.4
77.93506	0.2
83.93381	0.2
91.05450	0.8
92.02467	0.8
94.04049	4.1
96.06860	0.3
103.52658	0.2
109.05089	0.6
109.07630	0.3
110.07118	0.3
112.05058	0.6
119.03534	10.2
122.03628	0.6
136.02188	1.8
136.06163	100.0
137.04576	7.2
137.05769	0.7
137.06686	2.2
142.88712	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
50.69976	0.3
56.96053	0.3
66.31189	0.3
66.41901	0.3
67.02972	0.7
67.59535	0.3
70.78886	0.9
70.79235	0.3
82.04067	0.7
90.08611	0.3
92.02458	1.6
94.04041	5.9
109.05097	1.1
112.05069	0.5
119.03535	17.9
136.06166	100.0
137.04572	11.7
137.06491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
57.03428	0.5
67.02966	0.5
68.80895	0.3
71.73282	0.3
83.19996	0.2
91.05463	1.9
92.02466	0.9
94.04044	3.8
100.02464	1.3
109.01077	0.4
109.05108	0.8
112.05046	0.6
113.00843	0.6
118.03505	0.5
119.01904	0.6
119.03540	11.0
119.04864	0.5
131.01891	5.4
136.02182	1.9
136.06171	100.0
137.04582	7.9
137.06613	3.0
138.04900	0.3
139.07794	0.2
149.02942	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02346	0.7
53.03943	5.8
55.01851	1.6
55.05507	10.0
65.03925	3.5
67.05492	3.7
67.86800	0.7
68.05013	1.2
69.03412	2.5
69.07045	3.9
71.75060	1.0
78.04709	0.8
79.05484	22.6
79.08623	0.8
80.04997	2.3
80.05799	1.1
81.03384	0.8
81.07054	5.3
91.05466	49.7
92.05761	1.6
93.07030	45.6
94.04044	1.7
94.07327	1.7
95.04953	10.9
95.08558	1.1
103.05458	0.9
105.04503	2.4
105.07018	21.7
107.04935	5.2
107.08578	75.3
108.04465	1.1
108.08119	2.1
108.08912	5.6
109.01093	9.2
109.06515	8.9
112.03996	1.5
115.05437	3.2
117.06993	2.9
118.06548	1.1
119.03564	4.9
119.06065	2.4
119.08574	9.1
120.09405	4.0
135.04398	6.7
135.05498	2.2
135.06512	1.4
135.07080	0.8
135.08040	6.3
135.11676	22.2
136.02145	100.0
136.03900	3.4
136.06165	44.3
136.07541	9.0
136.08447	1.4
136.12010	1.7
137.04570	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03939	9.7
55.01867	5.9
55.05502	13.2
56.05853	1.6
65.03924	4.4
67.05495	27.3
68.05001	1.3
68.05821	1.4
69.03421	2.5
69.07068	7.9
71.13168	2.4
79.05482	83.7
80.04992	2.2
80.05799	2.7
81.03419	2.0
81.07041	29.4
81.07758	1.2
91.05465	50.3
92.05809	3.0
93.07033	100.0
94.04018	1.3
94.06505	1.2
94.07352	4.1
95.04952	14.7
96.86827	1.0
105.04494	3.7
105.07024	18.2
107.04936	6.9
107.08578	86.1
108.04493	1.2
108.08221	1.2
108.08898	5.3
109.01064	8.2
109.06504	6.7
115.05427	3.3
117.07027	1.7
118.06551	1.2
119.03533	5.5
119.06028	3.3
119.08542	3.1
120.09328	1.7
135.04411	6.9
135.05400	2.1
135.08054	17.7
135.11676	43.9
136.02145	92.3
136.03883	4.4
136.05069	2.7
136.06169	48.2
136.07523	7.7
136.08409	1.8
136.12012	3.5
137.04573	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.94788	0.9
53.03942	7.1
55.01862	2.5
55.05506	10.1
57.07063	1.7
61.48189	0.8
63.02366	1.2
65.03934	4.2
67.05504	4.8
68.05021	3.3
69.03404	2.3
69.07063	4.0
69.73267	3.8
69.73674	2.2
77.03938	1.3
79.05482	33.4
80.05015	2.2
80.05811	1.7
81.03404	2.2
81.07025	6.2
89.03905	10.4
91.05463	62.4
92.05811	2.2
93.07029	62.5
94.02942	1.0
94.04046	1.2
94.07365	3.1
95.04949	14.5
95.06075	1.2
96.06867	2.8
98.20712	1.9
103.05500	1.9
105.04494	3.4
105.07012	28.8
106.07827	1.5
107.04947	6.2
107.08577	100.0
108.04476	1.3
108.08149	2.0
108.08916	5.8
109.01102	6.6
109.06497	12.3
109.07603	2.3
112.74303	0.9
115.05440	2.4
117.03368	3.3
117.07015	4.7
118.06535	2.8
119.03551	3.6
119.06071	3.8
119.08570	15.3
120.09338	3.9
126.84418	1.0
130.24362	0.9
133.10114	1.6
135.04424	13.5
135.05481	1.8
135.06691	2.8
135.08035	7.9
135.11674	26.8
136.02144	74.2
136.03864	2.2
136.05087	2.8
136.06178	37.3
136.07545	9.9
136.08653	2.7
136.12032	2.6
137.04573	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.08146	0.8
53.03941	8.0
54.03455	1.4
55.01856	2.8
55.05504	12.1
57.07065	1.4
65.03921	4.8
67.02983	1.0
67.05499	6.6
68.05019	8.2
69.03408	3.4
69.07062	5.0
71.73765	1.8
77.03897	1.7
79.05481	32.5
80.04982	3.7
80.05812	1.2
81.03416	1.2
81.07036	6.9
89.03913	1.9
89.08939	0.9
91.05466	65.2
92.05802	2.8
93.05772	2.2
93.07027	66.0
94.04053	1.0
94.07340	2.9
95.04963	15.9
95.06051	4.3
95.08568	1.1
96.06849	8.0
104.06271	1.1
105.04510	2.5
105.07021	26.8
106.07275	1.5
107.04962	6.7
107.08578	100.0
108.04439	1.8
108.05476	1.1
108.08136	2.0
108.08911	5.5
109.01080	7.6
109.06505	10.1
109.07619	6.3
115.05446	2.7
117.07018	4.9
118.06534	2.6
119.03532	2.9
119.06062	4.1
119.08550	11.5
120.09339	4.0
128.80347	0.9
133.10124	1.5
135.04408	9.1
135.05481	2.0
135.06525	1.6
135.08072	8.0
135.11676	34.1
136.02147	87.7
136.03889	3.8
136.05084	2.1
136.06171	39.6
136.07524	10.2
136.08652	8.4
136.12041	2.3
137.04614	2.4
139.53154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03942	7.4
55.01860	4.5
55.05503	14.5
57.07055	1.2
62.11208	1.0
65.03928	3.4
67.05499	18.0
68.05844	1.2
69.03425	1.9
69.07059	8.0
69.80514	7.7
77.03903	1.3
79.05486	61.1
80.05013	3.3
80.05804	2.8
81.03427	1.3
81.07047	20.8
91.05472	39.1
92.02523	1.6
92.05780	1.9
93.07033	84.4
94.07349	3.8
95.04955	12.2
102.23451	1.1
105.04532	3.3
105.07005	12.4
107.04955	6.3
107.08579	68.4
108.04467	1.1
108.08912	4.3
109.01095	10.6
109.06479	4.2
115.05425	2.6
117.06989	2.9
118.06536	1.5
119.03540	3.9
119.06060	3.0
119.08564	3.6
120.09358	1.6
130.60493	1.1
135.04401	4.5
135.05434	2.4
135.08070	8.7
135.11679	38.5
136.02150	100.0
136.03860	2.7
136.05168	1.9
136.06177	44.2
136.07526	7.1
136.08444	2.6
136.12062	1.6
137.04559	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03939	8.6
54.03458	1.7
55.01864	2.5
55.05505	13.7
56.92901	1.0
57.07052	1.4
65.03928	4.2
65.58911	1.1
66.50222	1.3
67.02979	1.7
67.05490	6.1
67.05790	1.1
68.05030	6.2
69.03411	2.1
69.07053	4.4
70.99141	3.1
75.05594	1.3
77.03919	1.9
79.05482	33.0
80.05032	2.5
81.03419	2.8
81.07044	5.0
82.06567	1.8
87.05578	1.9
91.05467	62.9
92.05798	3.3
93.04522	1.1
93.07031	72.4
94.04069	2.2
94.06591	1.3
94.07358	4.4
95.04393	1.6
95.04952	16.3
95.06081	5.0
96.06841	6.5
103.05475	1.3
105.04488	3.4
105.07014	27.4
107.04955	6.2
107.08577	100.0
108.08195	1.3
108.08910	6.1
108.34002	1.1
109.01082	4.5
109.06511	7.6
109.07627	9.0
115.05424	3.4
117.07009	4.4
118.06510	1.6
119.03524	4.9
119.06060	6.6
119.08567	11.4
120.09351	5.2
131.73073	1.2
133.10172	1.3
134.51814	1.1
135.04367	5.0
135.05434	1.8
135.06622	2.6
135.08060	10.0
135.11673	36.0
136.02147	51.5
136.03885	3.6
136.05057	2.2
136.06172	45.9
136.07507	5.3
136.08662	8.1
136.11990	3.3
137.04605	2.4
138.99976	1.1
149.32974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.33382	0.9
53.03933	7.1
55.01842	2.0
55.05498	12.6
56.57194	0.9
57.07032	1.2
61.87149	1.0
65.03918	3.4
65.62681	0.9
67.05497	15.1
68.05830	1.0
69.03422	2.0
69.07047	4.4
70.11301	4.7
79.05480	56.4
80.04997	2.8
80.05803	4.0
81.03382	1.2
81.06599	1.5
81.07043	21.2
88.24270	0.9
91.04913	2.0
91.05470	39.4
92.06251	1.3
93.07031	84.4
94.04007	1.2
94.07324	3.1
94.07861	1.9
95.04958	14.0
105.04477	4.4
105.07010	12.6
107.04927	5.8
107.08577	71.2
108.08152	1.3
108.08921	3.2
109.01089	9.8
109.06497	4.5
112.03914	1.5
117.06998	3.2
118.06541	1.7
119.03532	3.9
119.06010	1.2
119.08557	3.8
120.09354	2.0
133.10098	1.3
135.04356	3.4
135.05449	2.2
135.06555	2.4
135.08080	8.4
135.10129	1.1
135.11673	35.2
136.02145	100.0
136.03880	3.1
136.05098	2.2
136.06166	43.1
136.07544	7.5
136.11092	1.4
136.12032	2.1
137.04561	4.5
151.61699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.13127	1.0
51.02375	2.4
53.03939	6.1
54.83052	1.0
55.01867	8.2
55.05503	7.7
57.92097	0.9
60.39338	0.9
65.03933	8.3
67.02955	1.6
67.05494	10.9
68.05023	6.9
69.03423	7.7
69.07043	4.5
69.12115	0.9
70.06595	1.0
71.74236	1.5
77.03925	1.8
79.05484	73.2
80.05003	2.0
80.05801	2.2
81.03401	2.4
81.04562	1.2
81.07047	8.0
89.03886	4.8
91.05468	100.0
92.02462	1.0
92.05789	6.0
92.06297	2.4
93.05788	1.9
93.07030	55.2
94.04091	1.7
94.07345	1.8
95.04964	18.1
95.06087	5.2
96.06852	5.3
105.04493	3.0
105.07014	30.2
107.04938	10.4
107.08578	79.9
108.04477	1.8
108.08122	2.0
108.08918	3.7
109.01108	6.6
109.06512	15.5
109.07625	4.8
115.05444	25.6
117.07002	15.9
118.06511	3.0
118.07325	1.3
119.03518	5.1
119.06036	6.6
119.08546	5.4
120.09339	2.1
133.10088	1.3
135.04395	8.7
135.05481	2.6
135.08041	40.0
135.11667	18.9
135.88808	1.0
136.02145	80.0
136.03891	4.0
136.05090	2.6
136.06174	51.4
136.07532	10.0
136.08595	6.4
136.11070	1.2
137.04594	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0802
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03931	2.5
55.01862	12.5
65.03913	5.8
67.05479	8.4
69.03425	11.2
70.93391	5.8
79.05482	37.6
91.05463	72.2
93.07015	16.0
95.04967	8.9
101.59168	1.6
105.07011	18.9
107.04925	7.3
107.08575	39.4
108.04421	2.1
108.05730	1.7
109.01077	6.9
109.06503	11.7
115.05441	19.2
116.05735	1.9
117.07001	14.1
118.06535	2.3
119.03491	2.4
119.06054	2.8
119.08511	2.9
119.74982	1.7
135.04451	4.4
135.05539	2.0
135.06950	2.9
135.08022	28.0
135.11693	2.9
136.02141	100.0
136.05116	1.8
136.06160	38.1
136.07521	5.8
136.11151	2.0
137.04570	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0803
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02369	0.9
53.03936	3.3
55.01865	14.3
55.05494	1.8
65.03928	10.4
67.05495	8.3
69.03419	15.2
70.03779	0.9
70.61886	1.4
70.62244	2.0
77.03928	1.1
79.05479	53.6
80.04992	1.0
80.05824	2.0
81.03396	1.4
91.05466	100.0
92.05777	4.0
92.06273	2.7
93.07026	13.0
95.04951	11.2
96.60932	0.7
98.21365	0.7
103.05458	0.9
105.04508	0.8
105.07017	34.5
106.07365	1.0
107.04940	7.5
107.08578	51.2
108.08911	3.1
109.01051	3.1
109.06499	19.1
110.06853	1.2
115.05441	29.5
116.05770	1.6
117.07009	22.8
118.06538	1.2
118.07277	0.8
119.03552	2.0
119.06041	6.3
119.08561	3.8
120.05715	2.2
124.05179	0.8
135.04431	3.8
135.08034	37.1
135.11658	3.3
136.02141	35.3
136.03854	1.8
136.05193	1.0
136.06155	22.5
136.07527	4.7
136.08400	2.3
137.04555	2.2
137.57111	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	4.0
57.03423	10.5
58.99840	3.4
64.91875	3.2
70.02982	3.5
70.62272	11.2
73.02905	6.0
74.02433	100.0
79.05457	3.5
81.03425	3.5
86.52687	9.4
88.02685	4.0
88.03979	48.8
88.51688	36.3
89.01715	15.9
89.51580	11.7
97.52190	7.5
98.97676	3.4
99.53458	3.4
100.02468	25.5
101.00881	7.7
116.98711	6.3
118.03497	7.2
119.01879	25.9
119.48970	3.0
120.03305	4.6
121.01665	4.1
121.93027	3.0
125.99223	15.5
126.49278	6.0
128.49475	17.8
128.99500	4.4
129.49426	7.7
131.01903	9.5
137.02922	6.8
137.49998	88.0
138.00064	32.3
138.49872	36.8
138.99921	3.9
140.00235	6.7
142.03508	17.2
143.03557	8.2
143.08588	5.3
149.00793	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49367	4.0
53.03922	9.9
55.01851	12.6
56.96546	15.0
57.03435	45.7
58.99833	6.7
59.06100	9.8
60.04508	11.7
66.03429	4.6
67.05478	7.3
69.03403	17.5
71.73728	5.6
72.52927	8.7
73.02896	16.2
74.06056	5.6
74.81237	4.9
75.05575	9.5
76.03975	6.2
77.00881	14.1
78.52957	5.9
79.05481	36.7
80.04994	9.2
81.03400	11.2
81.53464	5.8
82.01427	9.2
85.02863	11.6
85.53695	6.8
86.52691	35.5
87.05583	37.0
88.02663	11.5
88.51678	10.4
89.51540	6.9
91.05477	21.4
92.05786	5.8
93.01831	7.3
93.04440	7.2
93.07002	12.8
93.53429	6.9
94.06544	6.6
94.07139	4.5
95.01917	4.7
95.04950	13.1
95.53204	21.6
98.03503	4.3
99.53448	12.2
100.02466	68.2
101.00844	13.4
101.02525	8.3
102.02292	18.2
102.03087	4.2
103.02423	7.2
103.53696	5.7
105.00344	6.1
105.03371	5.7
105.07017	11.5
106.02634	4.6
106.06525	27.8
106.07310	8.6
107.04948	24.6
107.06052	11.3
107.08577	27.8
109.02917	7.1
111.02930	17.2
111.53463	9.4
113.53205	7.1
115.01156	5.6
115.02432	9.1
115.05437	9.0
117.07000	18.0
118.03500	60.4
118.04266	8.3
119.01907	100.0
119.03619	7.6
119.53159	5.3
120.02023	18.8
120.03230	9.3
120.04110	7.0
120.53982	5.9
121.01640	16.8
124.02385	6.1
125.99205	6.2
128.06216	9.7
129.02036	5.8
129.03951	16.1
129.07040	4.6
130.03502	16.3
130.06247	16.2
131.01866	31.5
131.53169	7.4
131.54132	5.2
133.03429	7.1
134.03656	6.1
134.06000	23.6
134.07097	26.1
134.09604	5.6
134.10484	5.8
134.99683	6.4
135.04358	29.8
135.05373	5.4
135.06512	9.2
135.08017	10.7
136.04512	10.2
137.02930	52.2
137.50005	21.8
137.99983	4.7
138.03091	10.3
139.02626	7.1
142.03479	79.4
142.07762	7.2
143.03668	13.0
143.08508	13.7
144.03212	6.4
145.03438	12.4
145.06427	6.9
147.04999	20.6
149.02922	5.3
154.03481	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.4
53.03934	2.5
55.05504	2.6
62.62341	0.6
62.66993	0.5
65.03934	1.0
67.05498	1.0
71.73949	0.7
71.74327	0.8
77.03915	1.3
79.05487	9.7
88.02232	0.5
91.05468	27.7
92.05808	1.7
93.07026	8.4
95.04959	3.4
95.76112	0.7
103.05452	6.1
105.03392	4.0
105.07019	87.0
106.06654	0.9
106.07370	3.7
107.08607	1.3
112.02121	0.7
115.05433	7.2
116.06249	1.8
117.07001	8.5
118.07803	8.2
119.07327	0.5
123.07954	0.7
129.07033	0.6
131.08551	10.0
132.08827	0.7
133.02847	1.8
133.06488	5.0
133.10114	100.0
134.06013	1.9
134.07024	1.0
134.09608	0.8
134.10471	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.72277	0.5
51.02372	0.6
53.03931	2.3
55.05509	4.1
65.03931	1.0
67.05502	1.4
71.32401	1.2
77.03905	1.0
79.05486	12.5
91.05470	38.7
92.05793	1.3
92.06301	0.9
93.07032	7.2
95.04958	3.3
103.05455	6.7
105.03374	2.4
105.07018	97.9
106.06683	0.6
106.07352	4.1
107.08591	1.7
115.05448	10.6
116.06191	1.7
117.07007	12.8
118.04163	0.8
118.07809	10.6
119.08109	0.7
120.16769	0.6
123.07973	0.7
129.07033	0.8
131.07631	1.1
131.08549	12.7
133.02853	1.0
133.06537	3.1
133.10114	100.0
134.05949	1.6
134.07115	1.1
134.10452	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.64652	0.6
53.03934	2.1
54.43563	0.6
54.92953	0.7
55.05510	3.5
65.03926	1.4
67.01178	0.7
67.05502	1.0
68.80315	0.7
70.20870	3.7
79.05482	11.6
80.39228	0.7
91.05470	36.9
92.05795	1.5
93.07021	6.0
95.04939	3.3
98.21387	1.0
103.05461	4.4
105.07016	100.0
106.06550	3.8
106.07357	4.0
107.08562	2.0
115.05441	7.6
116.06296	1.1
117.07021	9.1
118.07800	8.5
131.08545	11.2
133.02777	0.9
133.06485	5.0
133.07513	1.6
133.10110	68.9
134.06000	3.9
134.06961	1.2
134.09555	1.2
134.10445	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.05502	4.0
56.96559	0.7
64.73907	0.6
65.03928	1.6
67.05492	1.4
71.74601	0.8
77.03903	0.7
78.11327	0.5
79.05476	13.9
91.05464	42.7
92.05779	1.8
93.07021	7.3
95.04964	3.3
103.05458	6.6
105.03393	3.5
105.07014	100.0
106.06534	1.9
106.07340	5.1
107.08573	2.1
115.05429	8.2
116.06223	1.9
117.07008	10.7
118.07807	9.8
123.07983	0.5
129.07001	1.2
131.08543	12.2
133.02879	1.4
133.06516	4.8
133.10107	88.7
134.05991	2.2
134.07065	1.0
134.09595	0.8
134.10464	4.8
139.86974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0646
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03932	4.8
55.01866	2.6
55.05494	3.7
55.86757	1.0
58.81487	0.9
59.41911	0.9
65.03926	3.0
66.04723	8.8
67.05476	1.2
69.58563	9.3
71.99751	0.9
77.03931	1.5
78.04697	2.6
79.05489	20.3
83.54286	0.9
89.03912	2.9
90.04691	14.1
91.05473	28.8
92.02625	1.6
92.04970	1.5
92.05827	1.0
93.07021	4.4
95.04954	4.8
98.21418	1.9
102.04656	1.4
103.05457	20.4
105.03392	4.5
105.04539	2.6
105.07021	100.0
106.06541	5.9
106.07343	4.1
115.05437	6.5
117.06970	5.3
118.04156	44.4
118.07767	4.4
119.04987	2.1
119.77477	1.0
123.07962	2.2
131.08566	6.3
133.02841	3.2
133.06483	49.1
133.07550	3.6
133.09158	2.1
133.10115	36.4
134.06000	7.1
134.07082	5.1
134.09619	2.1
140.21756	1.0
150.49214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81108	0.4
53.03932	1.1
55.94960	0.4
57.03431	0.6
58.46579	0.3
65.03931	1.0
65.24194	0.3
67.64765	0.3
69.56330	3.0
69.56751	0.6
70.03765	0.4
84.04494	0.6
85.04826	1.7
85.08401	0.4
86.09669	0.4
91.05468	100.0
91.73078	0.3
92.05799	3.7
97.37091	0.4
103.05456	4.4
105.07034	0.4
113.07977	0.8
115.05433	6.1
116.06223	19.4
117.05745	0.6
117.06538	0.9
128.06216	1.7
129.06987	13.2
131.08546	53.7
132.06532	0.6
132.08041	1.0
132.08891	3.4
133.06482	0.8
134.60069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1019
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.03934	0.3
56.05011	0.6
56.96556	1.2
57.03427	0.7
57.05804	0.5
58.06584	1.3
58.99585	0.5
61.01136	2.9
69.03426	0.5
69.07057	24.8
70.07228	0.6
70.07562	0.5
73.02928	0.3
74.06090	0.3
85.01137	0.4
85.02850	0.5
86.09692	100.0
87.02676	3.4
87.10021	3.5
98.97558	0.4
100.02518	0.3
104.17145	0.3
111.46696	0.3
116.98636	0.4
119.01897	0.6
132.10179	0.5
133.03236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
56.05026	0.8
56.96553	1.0
57.03432	1.6
58.06588	0.6
59.06138	0.6
60.04488	0.6
64.35416	0.5
65.03935	1.6
69.03411	1.7
69.54081	0.5
70.03754	1.8
71.73794	0.9
72.04504	0.5
72.08138	0.7
84.04486	1.1
85.02894	0.5
85.04839	2.4
85.08463	1.7
86.06063	0.8
86.09705	1.2
90.90376	0.8
91.05470	100.0
92.05806	4.8
95.04960	1.1
98.04691	0.5
103.05457	13.5
104.05762	1.0
105.04507	0.8
105.06989	1.2
105.50775	0.4
113.07214	0.7
113.07935	6.5
115.05443	9.5
116.06227	32.9
117.06547	2.0
128.06221	2.9
129.06082	0.8
129.06995	14.4
131.04903	2.6
131.06877	1.6
131.08549	53.2
132.04402	0.8
132.06573	0.9
132.08023	0.8
132.08893	3.8
133.06453	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
56.01078	0.8
56.05011	1.7
56.96563	1.6
57.03421	3.1
65.03920	1.6
68.05013	1.1
69.03407	3.0
70.03750	3.1
71.74836	1.5
83.08020	1.0
84.04490	4.0
85.02897	1.0
85.04826	13.4
85.08475	3.8
86.09685	1.9
91.05471	100.0
92.05775	3.2
95.04948	1.6
103.05455	16.2
103.38334	1.0
104.05818	1.4
113.07922	10.4
115.05428	8.1
116.06234	25.4
117.05727	1.5
117.06515	1.3
128.06268	1.6
129.07004	13.9
131.04929	3.5
131.06912	2.2
131.08551	74.4
132.04453	1.9
132.06519	3.5
132.08058	3.4
132.08884	4.8
133.06412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89731	1.1
53.00283	1.4
53.03928	1.7
55.02979	2.1
55.05493	2.7
56.05016	3.0
56.96542	1.8
57.07066	91.3
57.25269	1.3
58.07404	2.1
59.06100	2.5
68.04969	1.4
69.03417	40.0
69.07042	5.3
70.06562	3.5
70.08338	2.2
70.08691	6.8
72.04495	2.2
72.08154	9.4
74.09706	52.0
75.10043	1.7
81.36919	1.1
82.06567	1.8
84.04488	38.1
84.08128	25.6
85.04805	1.4
85.07666	3.7
87.09218	1.7
91.05475	3.1
95.04943	1.5
103.05446	17.6
112.05016	1.5
112.07583	86.8
113.07162	2.9
113.07944	5.7
130.04984	2.9
130.06523	17.1
130.07498	1.3
130.07692	1.6
130.08617	18.3
130.09570	2.3
130.15898	100.0
131.04897	2.7
131.06848	1.8
131.08556	2.3
131.16240	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85885	0.6
53.03932	1.1
56.53609	0.6
57.03413	1.1
60.00719	0.6
65.03926	1.1
69.03413	1.4
70.01903	2.8
70.03766	1.1
84.04499	1.6
85.04825	3.3
85.08473	1.6
86.09686	1.0
87.99296	0.7
91.05470	100.0
92.05795	4.9
95.05004	0.7
103.05453	7.7
105.06976	0.8
113.07930	4.5
115.05443	9.2
116.06233	27.7
117.05772	0.7
117.06569	1.3
117.71994	0.5
123.12480	0.6
128.06190	1.6
129.06078	1.0
129.06989	15.1
130.07359	1.7
131.04922	1.4
131.08551	76.8
132.06517	0.9
132.08054	1.7
132.08890	4.7
133.06409	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0698
Annotation	Naphthalene
Peak:m/z	Relative Intensity
55.05511	1.1
56.05017	1.9
57.03427	1.2
59.04985	0.7
63.40758	0.5
69.03152	0.5
69.03430	5.7
69.07043	1.7
70.06586	0.7
70.87811	1.3
70.88146	0.5
84.04498	32.5
84.08129	6.6
85.86079	0.5
103.05457	5.2
111.04433	0.7
112.07593	15.6
114.74550	0.6
115.05420	1.3
127.05413	3.3
128.06213	100.0
129.01851	6.6
129.07033	82.6
130.04997	1.7
130.06500	2.8
130.07349	3.7
130.08629	3.6
130.15883	0.6
145.06477	13.3
146.06874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19272	0.2
58.99859	0.3
60.00629	0.2
62.21555	0.2
69.52180	0.1
69.92659	0.9
79.47562	0.1
82.01422	0.2
82.99818	1.0
83.01510	0.3
84.01180	0.3
98.20673	0.3
98.36435	0.1
100.02484	1.0
101.00873	16.9
101.02541	2.0
102.00939	0.9
102.02220	1.2
114.27953	0.2
118.03491	0.6
119.01910	100.0
120.01988	5.6
120.03274	0.4
121.02312	0.5
124.02473	0.4
133.03474	0.3
137.02946	37.4
138.03029	2.3
139.03415	0.2
142.03494	5.6
143.03651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.1
55.01877	0.1
56.96555	0.6
58.61215	0.1
58.99854	0.6
60.00636	0.2
67.33249	0.1
68.05012	0.1
69.03392	0.1
69.04524	0.1
69.79515	0.4
70.99851	0.4
77.00900	0.7
78.03432	0.3
79.03793	0.1
80.05006	2.4
81.05352	0.4
82.01418	0.2
82.99805	0.9
83.01511	0.2
83.06074	0.2
89.00877	0.3
91.07272	0.1
92.18632	0.1
95.01944	0.2
95.04958	0.1
96.04476	1.9
96.05273	0.3
97.02883	0.2
100.02467	1.0
101.00867	15.9
101.02531	1.4
102.00919	1.1
102.02231	0.7
103.02408	0.2
107.03224	0.2
107.06078	0.1
110.04801	0.1
112.03939	0.3
115.02422	0.1
118.03504	1.0
119.01905	100.0
120.01978	6.1
120.03288	0.5
121.02331	0.4
121.03379	0.1
124.02451	0.5
124.03936	10.1
124.05859	0.9
124.07580	0.4
124.08662	0.3
125.04283	0.2
125.07103	0.3
133.03412	0.4
136.04514	0.1
137.02937	42.4
138.03027	3.0
139.03369	0.3
140.03426	0.2
142.03481	6.5
143.03627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.4
53.03712	0.9
53.03943	12.3
53.05154	0.6
54.03464	4.2
54.04271	1.0
55.01860	1.8
55.02983	1.4
55.03791	0.9
55.05509	5.9
56.05033	9.3
57.07059	2.7
58.06596	1.1
61.37744	0.6
65.03926	2.3
65.16849	0.6
66.03455	0.8
66.19829	0.6
67.02996	0.7
67.04241	0.8
67.05499	23.6
68.05025	7.4
68.05835	0.8
69.04559	2.1
69.07053	2.4
70.06583	3.8
70.07806	3.7
71.86730	0.5
77.03919	2.7
78.03432	1.8
79.05488	16.2
80.05009	55.1
81.03396	1.9
81.04539	8.7
81.05352	1.4
81.07047	69.9
82.01434	1.1
82.04860	1.2
82.05310	2.0
82.06567	2.0
82.07378	2.7
83.05647	1.1
83.06098	10.5
83.06564	1.2
91.05441	1.2
93.07031	3.6
94.06563	0.9
95.01298	0.7
95.04958	100.0
95.06045	2.5
95.08598	15.8
96.04485	27.2
96.05283	3.4
96.06393	0.6
96.08120	1.9
96.08958	1.0
97.07637	10.6
100.02479	12.7
101.02552	1.1
105.04478	6.0
105.06999	2.2
106.02897	2.6
106.03590	0.6
107.04961	0.8
107.06065	10.2
108.05721	3.7
112.03956	18.4
118.03506	12.0
119.01903	8.1
119.03647	0.8
121.10116	0.9
123.04443	17.9
123.05546	82.0
123.07338	2.4
123.08063	14.8
123.09155	2.6
123.09972	1.2
123.11683	12.4
124.03942	60.0
124.05766	3.1
124.07613	3.5
124.08703	22.0
124.11965	0.6
125.07074	0.7
137.02946	5.5
140.03398	9.1
141.05042	1.0
142.03436	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.3
57.03423	0.3
58.99860	1.1
59.99943	0.2
69.03394	0.2
69.55736	0.2
70.75735	0.6
70.99848	0.8
73.02906	0.2
77.00903	1.7
79.03796	0.3
80.05005	2.9
81.03423	0.3
81.04568	0.3
81.05347	1.6
82.01413	0.2
82.99835	0.8
83.01514	0.5
83.06081	0.3
84.01166	0.3
89.00876	0.7
95.01929	0.8
96.04476	2.7
97.02881	0.3
97.04824	0.4
97.07613	0.2
100.02480	1.7
101.00869	13.4
101.02538	4.7
101.03435	0.2
102.00969	0.8
102.02231	2.8
102.39049	0.2
103.00644	0.2
103.02292	0.2
107.03227	0.7
107.06020	0.2
109.02863	0.3
110.04810	0.3
112.03926	1.0
118.03510	1.8
119.01910	100.0
119.03624	3.5
120.02009	6.8
120.03263	2.0
121.01637	0.5
121.02364	0.5
124.02460	0.5
124.03940	12.3
124.05878	3.8
124.07568	0.2
124.08711	0.7
125.04311	0.4
125.07127	0.6
126.64790	0.2
128.87692	0.2
133.03439	0.4
137.02943	47.5
138.03014	3.2
139.03392	0.4
140.03407	0.8
142.03488	6.9
143.03603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.3
53.03939	12.5
54.03465	3.9
55.01852	1.4
55.03008	0.9
55.05505	9.9
56.05031	9.0
57.07063	5.3
58.06598	1.2
64.86285	0.7
65.03940	3.1
66.03451	1.4
67.05495	38.1
67.64970	0.7
68.05019	7.3
68.05829	1.1
69.03418	0.7
69.04547	2.2
69.07050	3.4
70.06577	3.7
71.50842	1.7
77.03928	2.0
78.03446	1.7
78.30219	0.6
79.05482	22.3
80.05005	43.9
81.03449	3.2
81.04534	11.3
81.07044	100.0
82.01442	0.8
82.02927	0.8
82.04867	0.9
82.05325	1.8
82.06567	1.3
82.07379	3.4
83.05649	1.5
83.06089	13.5
91.05461	1.3
93.07027	4.4
94.04194	0.7
94.07825	0.8
95.04953	91.4
95.06053	2.5
95.08592	34.9
96.04479	21.9
96.05271	3.1
96.08114	1.6
96.08916	0.8
97.07627	8.2
100.02467	8.7
101.00872	0.6
105.03384	1.3
105.04495	4.9
105.06998	3.7
106.02898	3.2
106.06577	0.7
106.07333	1.1
107.04967	1.2
107.06065	12.1
108.05716	5.6
108.09354	0.7
112.03954	13.8
118.03498	8.1
119.01913	5.9
121.06481	0.8
121.10127	1.3
123.04430	15.6
123.05536	65.2
123.08115	19.9
123.09164	2.9
123.11677	17.0
124.03936	45.3
124.04794	1.5
124.05827	3.2
124.07611	2.3
124.08693	20.5
124.12000	1.0
137.02930	4.9
140.03407	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
54.60222	0.5
55.05500	5.3
57.07063	5.2
65.03940	1.4
67.05495	16.5
67.05840	1.0
68.05011	1.6
68.05818	0.6
69.07057	2.9
69.93571	1.1
69.93983	2.0
77.89655	0.5
78.03442	0.6
79.05479	16.9
80.05006	27.0
81.03404	0.5
81.07043	100.0
82.07384	2.8
93.07040	3.4
94.07808	1.0
95.04954	28.7
95.08590	15.1
95.41737	0.6
96.04482	17.1
96.05183	0.9
96.08079	0.6
100.02477	4.3
101.32543	0.6
105.04517	1.5
105.06997	1.5
106.02908	0.9
108.05720	1.4
112.03947	10.1
118.03517	4.8
119.01932	2.7
121.10112	0.8
123.04441	5.9
123.05531	44.1
123.08064	6.5
123.09065	1.0
123.10765	0.5
123.11685	20.2
124.03937	36.5
124.05878	1.9
124.07574	2.1
124.08550	1.1
124.12038	1.0
137.02939	2.0
140.03398	5.1
141.05078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06397	1.5
53.03940	8.9
53.66850	1.1
55.05495	3.7
57.07061	5.3
62.80652	1.3
65.03908	1.2
67.05178	1.5
67.05500	17.8
68.05002	1.3
69.07043	3.4
69.39507	1.3
69.77966	1.2
70.92811	2.4
70.93156	2.3
74.38760	1.3
78.03456	1.9
79.05485	17.5
80.05009	31.8
81.07046	100.0
82.07362	3.8
93.07037	3.8
94.07802	2.4
95.04960	43.4
95.08594	14.9
96.04475	20.1
105.04514	2.6
105.06989	2.3
106.02880	1.5
108.05695	1.5
110.66967	1.3
112.03943	12.2
115.06939	1.2
118.03448	1.3
121.10114	1.9
123.04444	7.3
123.05531	50.4
123.08044	9.6
123.09041	2.3
123.11693	20.7
124.03941	43.5
124.04842	2.6
124.05856	1.7
124.07604	2.6
124.12041	1.6
140.03369	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.0
54.03457	2.1
54.12445	0.7
54.64663	0.8
55.01847	2.5
55.02971	0.7
55.05512	5.4
56.05031	4.2
57.07072	4.0
58.06592	1.3
65.03915	3.4
66.03428	0.9
67.05496	25.1
68.05013	5.4
69.03397	0.9
69.04539	1.1
69.07039	3.0
70.06587	2.2
71.74407	1.4
76.17584	0.8
77.03931	1.5
78.03432	3.3
79.05485	15.9
80.05006	61.8
81.03391	2.4
81.04540	8.1
81.05330	1.6
81.07045	85.8
82.05290	1.1
82.07361	2.3
83.05655	1.5
83.06082	5.9
91.05439	1.0
93.07018	3.5
94.02895	1.5
95.01311	1.9
95.04955	100.0
95.05985	3.1
95.07999	1.0
95.08595	17.5
96.04479	37.9
96.05264	3.3
96.08102	1.4
97.07634	7.8
97.49679	0.9
100.02467	12.5
100.44711	0.8
101.02554	1.1
101.17712	0.9
105.03368	1.5
105.04494	4.9
105.06999	1.5
106.02880	3.2
106.06573	1.2
107.02393	0.9
107.06077	8.8
108.05714	2.3
109.06314	0.9
112.03958	35.8
118.03511	13.3
119.01900	6.9
119.03648	1.1
121.10123	1.4
123.04416	21.5
123.05522	95.1
123.07378	4.5
123.08044	10.9
123.09138	2.9
123.10857	1.5
123.11687	17.9
124.03938	80.3
124.05869	3.4
124.07568	5.0
124.08677	15.1
137.02876	2.7
140.03400	17.8
141.05029	0.9
142.03389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01565	0.5
51.02356	1.6
53.03941	10.4
54.03438	2.6
54.04247	0.6
55.01837	2.6
55.05509	6.6
56.05031	6.6
57.07040	0.8
58.06580	0.9
65.03939	3.0
65.10577	0.5
66.03444	0.9
67.02944	0.5
67.05497	30.4
68.05021	4.5
69.03397	1.9
69.04541	0.9
69.07038	1.3
70.06585	3.2
71.13992	1.7
74.06284	0.6
77.03902	1.4
78.03442	2.8
79.05069	1.0
79.05482	11.1
80.05008	54.7
81.03410	2.0
81.04531	6.9
81.05330	2.0
81.07044	39.9
82.01440	1.4
82.02934	0.6
82.04171	0.5
82.04868	1.4
82.05321	1.2
82.06541	1.0
82.07368	1.5
83.05641	1.1
83.06088	6.3
91.05476	1.7
93.07025	4.7
94.04179	0.7
95.01328	1.4
95.04956	100.0
95.08591	15.6
96.04482	34.2
96.05282	3.1
96.06381	0.8
96.08092	0.8
96.08958	0.7
97.07645	7.5
100.02470	12.3
101.00850	0.6
101.02563	1.3
103.05462	1.3
105.04501	4.7
105.07021	3.9
106.02903	2.7
106.06559	0.7
107.04982	1.3
107.06062	6.7
108.05715	5.3
112.03951	25.8
118.03505	13.9
119.01912	6.7
119.03606	1.1
121.10110	0.6
123.04469	16.6
123.05570	89.7
123.08080	61.8
123.09141	2.1
123.11662	6.0
124.03938	70.4
124.05909	2.7
124.07608	2.3
124.08697	17.3
137.02942	5.3
140.03406	12.8
141.05089	1.3
142.03516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0804
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02343	0.4
51.20921	0.4
53.03936	5.1
54.03452	1.6
55.01855	1.3
55.05503	5.8
56.05026	2.1
65.03928	1.6
67.05493	22.8
68.05006	1.0
68.05830	0.6
69.03401	1.7
69.04526	0.5
69.59901	1.1
69.60312	3.1
70.06574	0.8
77.03931	0.8
78.03444	0.6
79.05482	6.2
80.05003	17.0
80.06260	1.1
81.03396	1.5
81.04524	2.5
81.05347	0.7
81.07042	16.6
82.05305	0.5
82.06567	0.6
82.07365	0.6
83.06091	2.7
91.05460	1.4
93.07039	4.2
95.04953	39.2
95.08592	13.7
96.04482	8.9
96.05287	1.2
96.08090	0.5
96.08909	0.5
97.07628	2.3
100.02500	2.2
105.04507	1.4
105.07016	5.2
106.02881	1.1
107.04945	1.1
107.06071	3.8
108.05719	6.6
112.03954	5.5
118.03528	2.0
123.04441	6.2
123.05544	24.7
123.08053	100.0
123.11623	2.3
124.03934	17.1
124.04832	1.2
124.05842	0.6
124.07542	0.7
124.08580	7.2
137.02921	0.4
140.03404	2.7
143.63983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
53.03942	5.4
55.01873	1.3
56.96558	1.0
57.03431	1.3
58.99860	1.6
65.03946	0.8
67.05499	3.4
68.05018	1.1
69.03409	0.8
70.98602	0.9
73.02926	0.5
77.00877	1.5
77.03920	0.7
78.03455	4.9
78.52966	0.8
79.05477	3.2
80.05011	49.6
81.03404	1.4
81.05357	0.9
81.07059	3.3
82.01438	5.1
85.02886	0.5
88.02676	0.5
89.00903	0.9
95.04962	41.3
95.08607	0.8
96.04485	18.5
96.05182	0.6
96.05314	0.8
98.97578	0.8
100.02476	45.7
101.00858	10.2
101.02544	2.5
102.38083	0.5
105.04510	2.2
106.02908	8.9
108.05701	0.6
112.03973	3.3
116.98660	0.6
118.03509	38.5
119.01911	79.8
119.03599	2.5
121.47876	0.5
123.04456	6.0
123.05540	100.0
123.08031	1.6
124.02531	0.7
124.03944	17.7
124.04868	0.9
124.05891	2.1
124.07650	0.5
131.01935	1.0
136.04527	1.9
137.02948	42.4
140.03391	1.7
141.05064	1.5
142.03485	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0554
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.02362	0.2
53.03937	2.0
53.45886	0.2
54.03458	0.3
55.01881	0.3
56.05014	0.4
56.96549	0.5
57.03427	0.4
58.99862	0.6
60.06585	0.2
67.05489	0.9
68.05013	1.3
69.03414	0.2
69.04568	0.3
70.09349	0.4
70.09743	0.6
77.00911	0.4
77.03895	0.3
78.03442	2.3
78.06312	0.3
79.04185	0.3
79.05479	0.7
80.05004	48.3
81.03391	0.3
81.04516	0.6
81.05334	1.0
81.07055	1.1
82.01435	3.3
82.99818	0.4
83.06087	0.8
85.05108	0.2
89.34335	0.2
95.04957	13.8
95.06059	0.9
95.08566	0.3
96.04478	14.9
97.04776	0.3
97.07623	0.4
98.53832	0.2
100.02467	23.2
101.00860	5.5
101.02529	1.3
105.04501	0.9
106.02897	3.1
107.06061	1.0
112.03952	0.9
118.03503	15.7
119.01903	49.2
123.05531	100.0
124.02477	0.4
124.03931	6.0
124.05882	2.5
124.07725	0.2
124.08688	0.9
136.04521	0.7
137.02936	25.3
140.03381	0.5
141.05095	0.8
142.03470	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0554
Annotation	Picolinamide
Peak:m/z	Relative Intensity
53.03926	1.6
57.03433	1.1
58.99847	0.6
63.80064	0.3
68.05006	0.6
70.48269	0.8
70.48686	1.2
75.12065	0.4
77.00906	0.6
78.03448	11.7
80.05010	47.7
81.03374	0.4
81.05355	0.9
82.01444	2.5
83.01469	0.4
85.02917	0.6
95.04974	2.3
95.06078	0.7
96.04484	15.9
100.02475	15.4
101.00868	3.1
101.02595	0.8
105.04556	1.0
106.02909	21.8
109.02856	0.5
118.01151	0.5
118.03510	9.3
119.01908	24.4
119.06022	0.5
121.01620	0.5
123.05541	100.0
124.03935	6.6
124.05898	3.3
131.01898	0.7
137.02953	8.5
142.03499	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32010	0.6
70.75292	1.9
72.63760	0.6
79.52919	0.5
82.01434	9.0
82.99818	0.7
89.05004	0.6
100.02468	45.5
101.00871	16.8
101.02560	2.7
101.36582	0.6
111.64672	0.6
118.03500	24.8
119.01902	100.0
119.03654	2.1
123.04089	1.2
123.74442	0.5
136.04474	0.8
137.02940	40.5
141.05035	1.1
142.03490	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01865	1.3
57.03432	3.9
58.99846	3.1
61.02922	1.5
66.27147	0.6
67.05502	1.5
68.02631	1.1
69.03426	2.3
70.48476	1.5
70.48840	1.2
70.99835	1.0
73.02914	1.6
76.02688	0.8
77.00900	4.3
77.01269	0.6
78.03449	7.5
78.52944	1.5
79.05479	0.6
80.05010	47.5
80.73323	0.5
81.03414	2.3
81.05345	0.6
81.07051	1.1
82.01432	16.8
82.99866	0.9
83.01467	0.7
84.44578	0.6
85.02901	1.5
88.02673	1.3
89.00876	0.9
95.01926	0.8
95.04958	11.7
96.04489	16.4
100.02475	98.9
101.00866	15.3
101.02564	5.9
102.02377	1.5
106.02905	12.8
109.02870	0.9
111.02915	1.4
112.03940	2.3
113.76244	0.6
115.02387	1.0
118.01195	1.4
118.03511	72.6
119.01911	94.8
119.03582	5.3
120.03324	0.9
121.01604	1.2
123.04236	3.8
123.05540	100.0
124.02510	0.8
124.03948	20.0
124.05900	2.5
131.01888	2.9
132.05035	0.7
133.03450	1.6
136.04544	1.2
137.02950	37.5
140.03369	1.2
141.05052	2.9
142.03491	8.3
143.01933	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01865	1.3
57.03432	3.9
58.99846	3.1
61.02922	1.5
66.27147	0.6
67.05502	1.5
68.02631	1.1
69.03426	2.3
70.48476	1.5
70.48840	1.2
70.99835	1.0
73.02914	1.6
76.02688	0.8
77.00900	4.3
77.01269	0.6
78.03449	7.5
78.52944	1.5
79.05479	0.6
80.05010	47.5
80.73323	0.5
81.03414	2.3
81.05345	0.6
81.07051	1.1
82.01432	16.8
82.99866	0.9
83.01467	0.7
84.44578	0.6
85.02901	1.5
88.02673	1.3
89.00876	0.9
95.01926	0.8
95.04958	11.7
96.04489	16.4
100.02475	98.9
101.00866	15.3
101.02564	5.9
102.02377	1.5
106.02905	12.8
109.02870	0.9
111.02915	1.4
112.03940	2.3
113.76244	0.6
115.02387	1.0
118.01195	1.4
118.03511	72.6
119.01911	94.8
119.03582	5.3
120.03324	0.9
121.01604	1.2
123.04236	3.8
123.05540	100.0
124.02510	0.8
124.03948	20.0
124.05900	2.5
131.01888	2.9
132.05035	0.7
133.03450	1.6
136.04544	1.2
137.02950	37.5
140.03369	1.2
141.05052	2.9
142.03491	8.3
143.01933	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02374	0.9
53.03941	9.0
54.03462	6.3
55.01867	1.2
55.05500	2.7
58.02958	0.9
65.03938	3.6
67.02995	0.7
67.05494	2.2
68.05016	1.3
69.46675	0.5
70.06574	1.6
70.49553	0.5
71.41402	1.1
72.17275	0.5
77.03907	1.5
78.85439	0.6
79.05482	43.3
80.05025	1.0
80.05807	2.1
81.03414	1.0
81.04527	15.1
81.04982	1.0
81.05746	0.7
81.07037	1.1
82.05309	11.8
91.05465	25.9
92.05795	1.2
93.07028	39.1
94.06535	2.6
94.07368	1.3
95.04955	15.1
95.06060	5.2
97.94585	0.6
98.21304	0.6
103.05448	23.3
104.05798	1.2
105.03381	0.9
105.04517	5.8
105.07013	100.0
106.07276	2.9
106.07926	5.6
107.04896	0.5
107.07315	2.3
107.08035	0.7
111.04405	1.4
112.03961	0.8
119.08560	14.8
120.05635	1.1
120.08925	0.9
121.02843	4.1
121.03977	2.2
121.05119	1.0
121.06515	7.1
121.07371	1.0
121.10122	45.8
122.06063	2.4
122.07131	60.3
122.09621	2.7
122.10468	3.5
123.08052	13.0
131.54358	0.6
133.07599	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02373	1.2
52.41537	0.9
53.03939	11.9
55.01878	1.0
55.05500	8.7
65.03944	1.8
67.05474	2.2
69.66951	2.8
69.67360	2.9
77.03922	2.0
79.05486	35.7
80.05821	1.7
80.06259	1.7
81.07021	5.3
91.05469	43.8
92.05800	2.3
93.07030	100.0
94.07375	3.8
95.04956	18.6
103.05452	7.2
105.04500	4.4
105.07014	28.3
106.07790	2.5
107.81356	0.8
119.08568	7.5
121.02877	0.8
121.03905	0.7
121.06482	1.1
121.10130	23.5
122.09610	0.8
122.10457	1.5
123.08044	3.1
133.07613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02375	1.6
52.64479	0.6
53.03706	0.9
53.03941	12.0
55.05270	1.0
55.05506	8.4
59.96715	0.7
65.03920	1.4
67.05489	2.7
70.16910	2.6
75.08855	0.8
77.03905	1.2
79.05486	36.1
80.05819	0.8
81.03406	0.9
81.07046	5.2
91.05467	43.1
92.05804	2.0
93.07033	100.0
94.07375	4.3
95.04955	19.3
98.20751	0.9
103.05471	7.6
104.05724	0.7
105.04514	3.2
105.07017	32.8
106.07906	3.5
119.08560	6.0
121.02846	1.5
121.06526	1.1
121.10135	21.8
122.05924	0.7
122.10449	1.7
123.08076	3.3
133.07619	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02362	1.2
53.03708	1.1
53.03941	13.3
54.03459	1.8
55.01863	1.1
55.05503	5.2
62.38697	0.8
62.76173	0.8
65.03934	8.7
67.05496	14.0
71.10014	1.1
71.10419	2.5
71.62112	0.8
77.03922	1.5
78.04720	1.0
79.05485	61.7
80.04994	1.3
80.05818	1.8
81.04524	3.3
81.07017	0.9
82.05321	2.1
91.05468	29.8
92.05831	1.8
93.07031	48.6
94.06539	2.4
94.07370	2.3
95.04955	18.8
95.06077	1.3
97.03843	1.0
103.05460	19.0
104.05737	1.7
105.03405	1.8
105.04539	5.1
105.07018	100.0
106.07191	1.4
106.07888	5.3
107.07330	3.4
111.04433	2.4
112.03954	2.5
119.08555	15.2
121.02872	8.1
121.03982	3.8
121.06511	14.1
121.10130	48.8
122.06023	5.5
122.07133	13.0
122.09647	7.0
122.10468	2.5
123.08051	10.7
133.07599	3.8
138.06752	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02371	1.1
53.03939	6.4
55.01849	0.6
55.05508	1.0
56.06970	0.4
63.99290	0.4
65.03918	1.4
67.32959	0.4
70.61632	1.7
77.03912	1.4
79.05486	34.6
80.05810	1.3
81.04536	0.9
81.07040	1.1
82.05339	0.5
91.05469	12.4
92.05831	0.7
93.07035	16.7
94.06566	0.7
94.07360	0.8
95.04964	11.9
103.05460	20.8
104.05739	1.1
105.04543	2.5
105.07018	100.0
106.07275	2.8
106.07804	6.2
111.04399	0.6
117.06924	0.6
119.08569	12.7
120.05758	0.7
120.08899	1.0
121.02870	1.4
121.04012	0.7
121.06579	2.4
121.10131	47.7
122.06096	1.2
122.07137	4.6
122.09642	1.8
122.10475	1.9
123.08054	13.9
124.08389	1.0
133.07594	4.7
134.07990	0.5
138.06764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.1
53.03942	9.7
54.03474	1.2
55.01875	1.3
55.05511	5.1
58.04031	0.5
65.03938	6.8
67.05498	2.2
71.74529	0.7
77.03915	1.3
79.05487	57.8
80.05006	1.4
80.05831	2.1
80.06250	0.6
81.03427	1.0
81.04531	3.8
81.07056	2.8
82.05326	3.1
91.05471	33.1
92.05791	1.2
93.07037	49.6
94.04150	0.9
94.06565	2.1
94.07365	2.4
95.04961	20.7
95.06082	1.4
96.05321	0.8
103.05459	23.2
104.05755	1.3
105.03399	1.0
105.04551	4.2
105.07021	100.0
106.07227	1.4
106.07910	6.3
106.66963	0.7
107.07362	2.9
111.04447	1.7
112.03943	2.6
119.07729	1.0
119.08566	12.8
121.02872	4.9
121.03977	3.4
121.04786	0.7
121.05117	0.7
121.06533	6.5
121.07362	0.9
121.10132	46.1
122.06035	4.0
122.07136	15.6
122.09648	5.9
122.10476	2.2
123.08058	11.2
133.07584	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02368	0.8
51.53510	0.6
53.03942	8.4
54.03465	6.6
55.01863	1.4
55.05502	2.2
58.02956	1.0
65.03929	4.8
67.02988	0.9
67.05495	1.8
68.05035	1.4
70.06572	1.6
71.54202	0.7
77.03908	1.1
79.05482	42.8
80.05003	0.7
80.05811	1.5
81.04533	12.0
81.07051	1.3
82.05312	9.0
86.46235	0.5
91.05470	24.0
91.06034	1.2
91.19411	0.6
92.05793	1.0
93.03429	0.6
93.07033	33.1
94.06564	2.7
94.07372	1.9
95.04958	17.2
95.06039	3.6
103.05456	22.5
103.06152	0.7
104.05771	1.9
105.04565	3.1
105.07017	100.0
106.07272	2.5
106.07909	6.0
107.04783	0.8
107.07310	2.0
107.07984	0.5
111.04452	1.5
112.03953	1.2
113.54206	0.6
119.08564	14.6
120.05701	0.9
120.08897	0.8
121.02884	4.5
121.03986	2.3
121.04848	0.6
121.05007	0.6
121.06506	7.3
121.07371	0.9
121.07684	0.9
121.08779	0.9
121.10130	45.0
122.06086	3.2
122.07135	49.8
122.09640	3.4
122.10481	2.5
123.08055	14.0
133.07587	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03934	2.6
65.03928	4.2
67.05481	0.6
69.73826	0.9
69.74236	2.9
74.06033	0.7
78.04707	2.0
78.93127	0.6
79.05486	5.8
81.88246	0.5
91.05470	100.0
92.05006	2.3
92.05809	3.6
93.07028	5.7
95.04967	5.1
96.05297	2.7
103.05457	12.4
104.05566	0.6
104.06246	12.1
105.04498	0.9
109.06485	1.7
115.05459	5.4
117.07008	22.0
118.07347	1.1
119.04942	2.3
119.06043	2.1
119.06822	1.5
119.08569	66.2
120.04446	1.0
120.05579	4.2
120.08081	2.1
120.08906	4.0
121.06500	1.0
131.06013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.25981	0.6
51.02374	1.3
53.03938	10.3
54.03464	11.6
55.01849	2.1
55.05509	4.0
56.63058	0.5
62.03146	0.5
62.42483	0.6
65.03927	7.6
66.04235	0.6
66.74979	0.5
67.02957	1.2
67.05495	4.2
68.05016	3.3
70.06568	3.2
70.09647	3.2
77.03898	1.5
78.04688	0.7
78.77524	0.6
79.05479	42.7
80.04991	1.6
80.05808	1.6
80.06224	0.7
81.03450	1.2
81.04524	24.1
81.05779	1.2
81.07025	2.4
82.04814	0.8
82.05305	22.0
91.05463	33.0
92.05785	1.4
93.03436	0.8
93.07025	56.6
94.06537	3.5
94.07346	2.6
95.04955	20.5
95.06061	11.1
96.04461	0.7
96.05295	1.1
103.05451	16.4
104.05768	1.4
105.03407	1.2
105.04514	7.1
105.07008	70.8
106.07857	5.3
107.04823	1.4
107.07341	3.6
107.85027	0.6
111.04411	1.7
119.08551	10.2
120.05591	1.2
121.02861	6.5
121.03988	2.9
121.05164	0.8
121.06496	19.2
121.07578	2.8
121.08365	1.1
121.10120	33.7
122.06094	3.4
122.07128	100.0
122.09629	6.1
122.10475	2.4
123.08041	9.0
124.08311	0.7
133.07596	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
53.03942	2.5
54.04279	0.8
54.70100	0.3
65.03931	5.5
67.05477	0.3
74.06033	0.4
77.03896	0.6
78.04709	1.2
79.05490	4.8
84.10225	0.4
91.05470	100.0
92.04992	1.4
92.05798	4.0
93.07041	5.5
95.04967	4.2
96.04568	0.5
96.05294	0.8
102.04676	0.5
103.05460	13.9
104.06252	9.7
105.04486	0.9
109.06485	1.7
115.05450	6.7
117.07005	35.8
118.07306	1.9
119.04954	1.0
119.06062	2.7
119.08566	49.1
120.04438	1.6
120.05592	3.6
120.08080	3.3
120.08910	3.5
121.04048	0.4
121.06470	1.0
131.06049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03932	2.9
53.21074	0.7
54.04601	0.7
58.50451	0.7
58.62136	0.7
65.03929	5.0
70.57512	3.0
73.99857	0.7
78.04691	1.7
79.05486	8.0
91.05468	100.0
92.05797	3.9
93.07034	5.9
95.04967	5.7
96.05311	1.1
102.94543	0.8
103.05457	13.1
104.06250	13.7
105.04542	1.4
105.06596	0.7
109.06517	2.2
115.05442	6.0
117.07005	23.9
118.07281	1.1
119.06082	2.0
119.08567	80.8
120.04433	1.6
120.05582	3.3
120.08134	1.5
120.08907	4.9
126.10323	0.8
131.05968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02383	0.6
53.03949	1.0
56.05038	0.6
56.96552	0.4
57.07066	0.3
58.06601	0.5
59.06116	9.4
59.06409	0.5
59.06947	0.5
60.04524	1.2
65.03931	15.1
66.04254	0.6
69.37362	0.3
70.04111	0.8
70.04520	0.7
72.08163	0.3
74.06076	1.3
77.93389	0.4
78.93116	0.9
79.05491	2.1
87.05582	1.7
91.05466	100.0
92.04980	2.1
92.05805	3.2
93.04513	0.5
93.07037	2.6
93.07590	0.4
95.04949	1.7
96.04500	0.3
96.05267	0.6
102.04633	0.3
102.09194	0.3
103.05456	10.4
104.06258	2.1
105.04490	0.4
108.94486	0.3
109.06499	0.6
110.06056	0.3
110.85497	0.3
115.05420	1.1
117.07001	4.9
119.04899	17.0
119.06015	2.7
119.06798	1.0
119.08543	15.1
120.04417	1.2
120.05520	4.2
120.08092	11.1
120.08900	0.7
121.03978	0.5
133.12901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.06609	0.7
53.03934	2.7
65.03938	4.6
67.05494	0.9
70.88326	2.5
79.05481	7.4
80.26968	0.7
81.69447	0.7
91.05472	100.0
92.05015	1.4
92.05804	4.0
93.07030	6.2
95.04949	4.3
99.98583	0.8
103.05450	11.8
104.06246	10.0
105.04530	1.0
109.06529	0.9
114.03340	0.7
115.05459	7.3
117.07005	28.8
118.07337	1.7
119.06086	2.1
119.08570	75.3
120.05565	1.4
120.08057	2.6
120.08898	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03954	1.0
53.68542	0.3
56.05038	0.9
56.89043	0.3
56.96563	0.4
57.23950	0.2
58.06598	0.5
59.06118	12.4
60.04519	2.4
61.02939	0.4
65.03932	12.6
71.31976	0.6
73.54597	0.3
74.06062	1.8
75.05618	0.5
77.03936	0.4
78.93130	0.5
79.05476	1.8
85.07663	0.4
87.05572	2.5
90.76580	0.3
91.05470	100.0
92.04974	2.3
92.05804	3.7
93.04523	0.9
93.07032	1.5
95.04945	1.5
96.05301	0.4
96.94160	0.6
98.52716	0.3
101.07102	0.3
103.05447	5.6
104.06239	1.3
109.06473	0.5
110.06032	0.4
115.05424	0.5
117.07011	3.3
119.04901	14.1
119.06010	2.6
119.06796	0.8
119.08546	11.6
120.04424	1.5
120.05527	4.2
120.07285	0.5
120.08088	6.1
120.08865	0.5
132.07950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05500	1.1
56.05024	3.4
56.96561	15.5
57.03420	1.9
58.67575	0.8
58.99843	1.5
59.06120	12.4
60.04523	4.8
61.02911	1.5
63.83431	0.9
65.01408	0.9
65.03935	13.1
67.02978	2.5
67.05489	3.5
69.03419	7.3
69.07054	1.6
70.54211	3.1
71.02945	0.9
72.08134	1.5
74.06055	5.0
77.00872	1.5
78.52945	1.4
78.93158	0.9
79.05460	1.0
80.06255	0.9
81.03391	1.1
82.01442	2.0
84.95981	0.9
87.00829	1.3
87.05599	1.3
91.05471	100.0
92.02489	7.1
92.05003	1.2
92.05825	2.3
93.07042	2.9
93.53451	2.1
94.54329	1.0
95.04963	1.7
98.97585	2.0
100.02473	11.9
101.00869	4.6
101.02555	2.8
101.07155	1.1
102.02241	2.2
102.09171	2.9
103.02439	3.4
103.05474	5.6
107.05238	2.0
115.52224	0.9
116.98644	1.0
117.06963	1.0
118.03516	10.2
119.01913	50.1
119.03539	39.9
119.04876	12.6
119.06058	2.9
119.08546	4.7
120.02032	2.7
120.03242	2.0
120.05593	1.2
120.08105	3.9
120.10216	2.0
121.03452	2.4
132.73656	0.9
133.03468	2.0
134.99646	1.2
137.00145	1.1
137.02943	28.3
137.04620	2.1
138.03070	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0863
Annotation	Betaine
Peak:m/z	Relative Intensity
58.06590	50.5
59.07372	45.6
60.07707	0.7
71.73774	0.2
71.74152	0.1
74.06062	0.2
100.07559	0.1
101.31256	0.1
102.05505	0.2
103.06313	0.2
118.08636	100.0
119.08247	0.2
119.08991	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.4
57.73187	4.2
59.06120	15.0
60.04524	5.4
60.22198	3.6
65.03945	4.9
67.05497	6.3
69.03432	19.4
70.93866	9.3
70.94236	6.9
81.07075	4.0
82.01419	5.2
87.53468	7.6
91.05476	19.8
93.07027	6.3
93.53457	4.1
93.75481	3.5
99.49207	4.1
100.02480	31.4
101.00880	16.1
103.02410	11.5
107.05267	6.5
107.53194	4.2
116.05788	15.9
118.03530	17.7
119.01918	100.0
119.03590	5.8
120.03259	4.7
121.03465	11.4
137.02960	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.9
56.53927	0.4
58.06594	41.6
58.90514	0.4
59.06104	0.6
59.07377	42.8
60.07700	0.5
68.48681	0.4
70.24970	1.5
72.08150	10.7
76.45763	0.4
94.01620	0.4
118.08643	100.0
119.09013	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
50.91440	2.5
51.02364	7.9
53.03710	4.0
53.03942	53.7
55.01877	3.1
58.06588	5.2
59.07374	4.6
77.03916	7.1
81.03430	3.1
87.41633	2.6
91.05476	35.7
95.04957	100.0
96.05288	4.2
98.20630	5.6
105.04497	18.0
117.07024	3.1
118.05739	4.7
118.06529	67.1
118.08655	8.3
119.08555	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01863	0.9
55.05505	2.8
56.01391	3.0
56.05023	12.1
56.96550	1.3
57.03428	5.6
57.04550	2.4
57.05349	0.7
58.02951	6.3
58.06591	15.2
59.04984	4.5
59.06114	100.0
59.07368	7.1
59.93104	1.9
60.04518	9.8
60.06437	1.1
69.03424	7.4
69.04530	0.9
70.02940	1.3
70.06583	2.3
70.23391	2.9
71.04980	5.0
71.06111	2.5
71.06924	2.6
72.04503	6.7
72.08136	8.7
73.02915	3.4
74.06062	3.1
74.93818	1.1
75.05592	30.2
76.03989	11.1
76.04393	0.8
76.07628	7.9
76.59290	0.6
76.93359	13.5
81.03410	0.6
81.04496	0.6
81.07049	1.0
82.02921	0.8
82.05337	0.6
83.41629	0.6
84.04485	4.7
85.04017	0.7
87.09207	0.8
89.03922	1.3
91.05453	5.5
94.94399	6.0
95.04945	6.2
98.21313	0.7
98.97571	0.7
99.04449	1.5
99.05553	3.3
100.03983	2.0
100.07590	5.6
105.04504	1.3
110.27235	0.6
112.95454	1.7
115.05446	8.3
116.98656	0.6
117.05619	1.1
117.06635	8.5
117.07030	5.0
117.10249	7.0
117.96001	2.4
118.06519	6.5
118.08636	20.1
118.09456	1.2
118.96769	0.9
135.96994	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.07
Annotation	INDENE
Peak:m/z	Relative Intensity
51.02374	1.2
53.03941	4.8
58.06598	5.9
59.07382	4.9
65.03905	0.8
69.03414	1.8
70.44812	2.7
71.06976	0.7
72.04507	0.8
72.08137	1.0
77.03902	0.9
91.05473	42.8
92.05798	2.2
95.04963	8.3
96.75266	0.8
105.04519	2.0
115.05448	89.9
116.05775	3.6
116.06405	1.2
117.07012	100.0
118.06534	9.5
118.07355	4.5
118.08625	12.8
125.75880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0755
Annotation	trans-2-Hexenoic acid
Peak:m/z	Relative Intensity
53.00313	1.1
53.03936	4.0
54.00463	0.9
54.03463	2.9
55.01867	8.8
55.05499	15.1
56.03769	7.2
56.05027	21.8
56.96548	1.8
57.03429	12.2
57.04550	7.1
57.93548	6.5
58.02948	3.9
58.06592	2.6
59.03738	16.1
59.04708	1.6
59.04993	21.6
59.06113	6.4
60.04516	6.5
67.05486	6.3
68.05028	1.3
68.05843	1.0
69.03419	11.6
69.04536	6.3
69.07058	100.0
70.02952	2.0
70.05322	2.1
70.06582	45.2
70.07387	6.5
71.04965	1.4
71.06090	1.3
71.13530	2.3
72.04501	3.2
72.08129	7.1
72.93773	7.8
73.02900	3.0
73.06546	20.6
73.07670	19.6
73.93819	7.7
73.95445	1.2
74.02411	1.6
74.04801	2.7
74.06073	9.0
74.93816	43.2
75.05148	2.7
75.05582	2.1
79.05481	18.1
80.05013	2.2
80.05805	4.0
81.03410	1.8
82.04166	2.2
82.05297	8.5
85.02882	1.0
85.04031	3.6
85.07649	1.9
86.06065	1.5
87.00821	2.2
87.04465	16.2
87.05570	2.7
88.03949	1.2
88.07610	2.2
90.94809	2.4
91.94868	1.6
92.94849	17.8
95.04953	3.4
97.02895	3.2
97.04005	2.7
97.06516	50.8
97.07631	6.9
97.08454	1.2
98.04793	5.0
98.06058	7.8
98.06661	1.4
98.09638	1.3
99.05569	2.2
99.07956	1.7
101.60913	1.0
110.95870	2.9
115.02113	7.7
115.03915	26.7
115.05074	6.6
115.07586	2.5
115.08698	9.0
115.09498	14.6
115.40628	1.1
115.96400	7.6
116.07079	5.2
116.08217	5.4
116.10674	1.2
116.97191	3.6
133.97466	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0599
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.03934	1.7
54.03446	1.1
55.01855	3.1
55.05489	1.9
57.03429	75.5
57.07074	1.5
58.06567	2.0
65.03932	6.4
67.01863	6.5
67.05496	58.4
68.05023	7.9
68.05822	2.2
69.03429	5.5
69.07053	7.0
70.02944	16.5
70.03746	1.5
70.06561	1.7
70.25588	3.1
70.25988	1.7
71.04987	8.9
71.94090	8.7
71.95250	3.0
72.04505	1.4
72.08131	2.7
72.93780	38.4
79.05485	7.1
85.02890	1.5
85.06535	27.5
86.06059	5.3
86.06873	0.9
89.95116	1.6
90.00143	1.1
90.94819	15.5
91.00110	1.3
95.01296	4.9
95.02459	1.5
95.04954	29.5
96.00840	12.3
96.04464	2.3
96.05293	1.5
96.08133	5.9
97.06495	1.7
98.20738	0.9
98.50764	1.2
99.00612	3.2
99.77067	0.9
100.00575	1.2
108.95850	5.4
112.96675	1.3
113.00039	7.7
113.02339	100.0
113.03467	22.0
113.05984	17.4
113.07178	1.4
113.07920	2.8
113.10719	1.5
113.96382	4.9
114.02688	3.9
114.03796	1.1
114.05541	9.8
114.06245	1.8
114.09151	50.3
131.96492	1.0
131.97368	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05418	0.2
89.74313	0.2
98.21442	0.5
118.46314	0.2
132.65688	0.2
171.88057	0.2
311.25699	0.4
336.01736	0.2
376.05197	0.2
396.12259	0.7
397.12805	1.1
398.13580	0.5
409.13031	0.4
410.13773	1.4
411.14505	3.6
412.15274	2.8
413.16199	1.4
422.13895	0.3
423.14841	1.2
424.11057	0.7
424.15265	1.2
425.16217	7.7
426.16885	5.6
427.17395	1.5
428.18433	0.9
437.11371	0.3
437.16144	0.8
438.12991	1.8
438.17361	0.9
439.04910	0.3
439.13422	10.7
440.18930	3.9
441.19241	25.1
442.19577	2.7
451.13129	0.4
451.17905	0.6
452.14026	2.3
453.15225	12.5
454.15781	3.7
455.16714	0.3
457.15060	0.7
458.15405	0.4
463.13812	0.6
465.15616	0.7
466.12302	0.6
467.17111	20.3
468.17807	10.1
468.52670	0.2
469.18726	9.2
470.18918	0.9
471.16464	0.7
472.17816	0.2
477.15320	0.3
478.16171	0.4
479.17059	0.4
480.18286	0.4
481.14621	10.3
482.15054	2.7
483.16397	0.5
485.18146	0.8
486.19067	0.4
487.19644	0.2
494.17432	0.3
495.16223	7.2
496.16995	12.4
497.17761	2.6
498.18808	0.3
499.14688	0.3
499.19882	0.7
508.19092	0.6
509.17993	2.0
510.19897	0.3
512.20490	0.8
513.21405	0.4
514.22662	1.8
515.22260	0.3
522.17572	0.9
523.19586	1.4
525.17603	0.3
526.18042	0.3
527.23352	2.7
528.23090	0.4
536.19580	0.4
537.19250	0.8
539.18927	0.5
540.19989	0.6
541.21448	0.2
542.21521	0.7
545.23944	0.4
551.19043	0.4
555.22369	23.3
556.22766	1.8
568.19403	0.6
582.21179	0.3
583.21808	69.7
584.22089	6.8
586.20313	0.4
587.25024	1.2
599.21234	0.2
600.21124	0.3
601.23071	0.3
611.21185	2.0
614.23474	0.6
615.24420	5.8
616.24664	0.4
628.20917	0.2
642.23126	6.9
643.23822	100.0
644.24005	7.5
1066.41687	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0508
Annotation	cytosine
Peak:m/z	Relative Intensity
52.01883	0.4
55.01859	0.7
55.05493	0.3
56.05025	0.5
56.96561	4.9
57.03417	0.6
58.06586	0.3
66.37451	0.4
67.02975	1.1
68.01371	1.4
69.03435	1.7
69.04546	9.3
70.02946	30.0
70.06576	2.7
70.94243	0.7
70.98100	0.5
71.02453	0.5
71.73199	0.5
71.73569	0.4
71.94096	1.8
84.08128	2.1
89.38496	0.4
94.04043	4.3
95.02442	30.2
96.00843	18.7
96.01476	0.7
100.02466	1.9
100.91212	0.4
112.05079	100.0
112.07555	2.4
112.11250	1.7
113.02379	1.9
113.03476	43.9
113.05348	1.6
113.07070	0.5
115.02430	0.5
118.03515	1.9
119.01911	0.7
131.01855	1.1
132.05087	0.4
133.03392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00642	0.5
51.02368	0.6
53.00309	0.6
53.03941	14.2
54.04270	0.5
55.01866	1.2
55.05505	11.9
62.31963	0.4
65.03931	5.5
67.05496	100.0
67.16430	0.5
68.05025	3.3
68.05832	2.4
69.04547	2.8
69.07063	6.3
70.85976	0.8
70.86335	1.2
71.57089	0.5
79.05026	0.6
79.05485	12.7
80.06259	1.8
81.03410	20.6
81.07047	33.9
82.06571	2.2
82.07384	0.8
87.00461	2.0
91.05479	2.6
92.05019	0.6
93.04516	0.6
94.04190	1.9
94.07815	1.2
107.08590	3.4
109.02862	4.3
109.05814	1.0
109.06505	10.0
109.07642	4.2
109.10146	37.7
110.06028	8.9
110.07153	11.2
110.10468	1.3
113.96386	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02371	0.5
53.00301	0.7
53.03940	8.5
55.05504	10.4
56.05838	0.5
63.60917	0.3
65.03931	4.6
67.05496	100.0
68.05020	2.1
68.05822	2.6
69.04548	1.8
69.07060	7.0
70.75960	0.3
70.76321	1.0
79.05489	11.5
80.05827	0.7
80.06266	1.7
81.03410	12.3
81.07046	33.4
82.06587	1.6
82.07373	1.0
83.06113	0.5
87.00462	2.3
91.05444	1.7
91.82736	0.3
92.04980	0.4
94.04177	1.4
94.07822	1.8
95.04955	0.4
96.00960	0.3
105.06996	0.8
107.04906	0.4
107.08576	3.3
109.02867	2.7
109.04808	0.4
109.06509	5.6
109.07637	2.9
109.10143	45.3
110.06031	5.6
110.07153	8.5
110.10480	1.1
113.96394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0806
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
53.03936	4.4
54.03453	0.7
55.01865	5.5
55.02990	0.8
55.05502	25.5
56.05025	2.4
56.05837	0.7
57.03421	1.0
65.03929	4.6
66.03448	0.5
67.05494	4.2
68.05009	3.8
68.99767	0.6
69.03419	15.4
69.04531	1.6
69.07056	4.2
69.73600	2.7
69.73999	0.7
70.02933	1.2
70.06580	56.4
70.94241	1.9
71.06110	0.6
71.06950	0.8
71.07350	3.1
77.03890	0.6
81.03409	0.7
81.07030	1.4
82.05299	0.5
82.06535	0.8
83.04971	9.3
83.06084	2.8
83.08611	3.8
84.04473	1.6
84.08122	4.1
85.07650	1.4
88.00462	2.9
88.95290	0.6
89.00235	1.0
91.05468	11.4
93.03396	1.1
93.07025	12.4
94.02918	0.8
94.06553	5.4
95.04958	7.2
95.06082	1.5
96.05668	1.4
96.06854	3.1
97.00996	5.6
98.00773	1.1
99.51261	0.9
105.04499	1.3
106.96317	0.4
110.07169	2.1
111.00789	0.7
111.04423	20.5
111.05556	6.5
111.06380	1.9
111.08062	29.6
111.09182	100.0
112.03974	3.1
112.04642	0.8
112.07585	9.0
112.08692	6.7
112.09531	3.3
115.96406	2.2
116.97231	0.7
117.95952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00304	0.8
53.03942	10.3
53.95832	0.3
55.01876	0.8
55.05507	10.4
64.35296	0.4
65.03933	4.3
67.05499	100.0
68.05032	0.5
68.05824	2.2
69.07062	7.4
71.07042	1.0
79.05488	10.7
80.06273	1.6
81.03016	0.3
81.03411	16.3
81.07047	34.2
82.03750	0.8
82.06568	1.4
82.07372	1.0
86.50598	0.5
87.00462	1.0
88.52652	0.3
91.05462	2.0
92.04997	0.4
94.04218	1.8
94.04718	0.4
94.07818	1.4
105.07058	0.5
107.04980	0.7
107.08598	3.5
109.02873	3.1
109.06508	7.0
109.07658	1.4
109.10146	39.5
110.06036	7.0
110.07149	1.0
110.10505	1.8
113.96407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02372	0.8
52.56179	0.4
53.03940	14.4
54.25540	0.4
55.01865	7.6
55.05506	4.1
65.03932	5.8
66.04699	1.3
67.05498	27.4
68.05010	1.9
68.05807	0.5
69.04535	1.1
69.07047	1.4
70.09810	0.9
70.10223	1.5
71.27079	0.4
79.05485	45.6
80.05822	0.8
81.03410	13.0
81.07046	42.4
82.03738	0.6
82.06556	1.3
87.00437	1.1
91.05469	14.1
92.04999	0.5
92.05855	0.4
94.04168	3.9
94.07829	0.6
94.19012	0.4
95.04947	1.4
107.04941	1.6
107.08557	1.1
109.02879	3.0
109.06506	100.0
109.07558	3.6
109.10144	11.5
109.10866	0.7
110.06030	3.0
110.07187	4.2
111.04357	0.5
113.96361	0.5
115.38462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02377	1.7
53.00298	1.1
53.03939	34.0
54.04266	1.0
55.01868	5.5
55.05503	10.9
65.03931	10.7
66.03460	0.5
66.04710	1.5
67.04256	1.6
67.05496	100.0
67.93503	0.4
68.04679	0.8
68.05025	11.2
68.05830	2.3
69.03426	1.0
69.04554	4.2
69.07063	5.3
71.35380	0.9
79.05483	37.4
80.04995	1.2
80.05831	0.8
80.06258	1.2
80.08028	0.5
81.03409	52.6
81.07046	54.1
82.03742	1.5
82.06566	7.5
82.07359	1.0
83.06095	1.4
84.97525	0.5
87.00451	5.5
91.05475	12.3
92.04976	1.9
93.04533	0.9
94.04182	6.4
94.07803	0.8
95.04954	1.6
96.00980	0.9
98.51240	0.8
105.07022	0.5
107.04967	2.6
107.08590	3.2
109.02869	13.7
109.06507	71.6
109.07613	19.7
109.10141	37.9
110.06023	13.7
110.07140	21.1
110.10455	0.8
111.04436	0.6
113.96391	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02376	0.4
53.00302	0.5
53.03939	8.0
54.84860	0.4
55.01876	0.9
55.05507	11.6
64.33984	0.3
65.03927	4.7
67.05497	100.0
68.05829	2.2
69.07061	6.9
69.07423	0.5
70.07394	0.4
70.10773	1.9
79.05486	9.3
80.06268	1.0
80.39526	0.3
81.03409	11.8
81.07046	31.7
82.03745	0.4
82.06577	0.6
82.07371	1.0
85.44127	0.3
86.50631	0.6
88.48468	0.3
91.05440	1.8
94.04198	0.6
94.07826	1.8
95.04989	0.5
105.06997	0.5
107.08578	4.0
109.02864	2.3
109.06510	3.6
109.07655	0.8
109.10145	47.4
110.06042	5.2
110.06750	0.4
110.07195	0.9
110.10453	1.9
128.91306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02373	1.7
53.00300	1.5
53.03944	50.2
54.04273	1.7
55.01861	4.1
55.05507	8.5
56.05011	1.0
65.03937	7.4
66.04707	0.8
67.02970	0.7
67.04257	1.2
67.05500	69.7
67.38866	0.6
68.04742	0.7
68.05031	8.8
68.05838	1.0
69.04540	3.1
69.05856	0.7
69.07070	4.8
71.74427	0.7
78.88377	0.7
79.05490	24.5
80.05003	1.3
80.05814	0.8
80.06254	1.0
81.03413	70.7
81.07049	34.3
82.03724	1.4
82.06577	7.1
82.07366	1.1
83.06133	0.7
87.00471	1.2
91.05470	6.4
92.05022	2.1
92.63650	0.7
94.04182	9.0
94.07810	1.7
95.04970	1.6
107.04961	3.5
107.08588	2.7
109.02873	14.1
109.06510	100.0
109.07600	15.5
109.10148	31.9
109.10726	0.7
110.06065	12.3
110.07198	9.6
111.04470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02365	0.7
53.00263	0.4
53.03938	16.5
54.04292	0.4
55.01866	6.6
55.05500	3.6
65.03927	5.8
66.04706	1.5
67.05495	28.8
67.93521	0.4
68.05012	2.6
69.04539	0.8
69.07042	2.1
71.74278	0.6
71.74691	0.5
73.13223	0.4
79.05483	40.7
80.04996	0.6
80.05807	0.8
80.06256	0.5
81.03409	18.6
81.07043	42.0
82.06572	2.3
82.07378	0.7
87.00455	1.3
91.05469	13.7
94.04179	4.2
95.04957	1.7
107.04961	1.2
107.08569	0.9
109.02872	3.5
109.06502	100.0
109.07567	6.0
109.10142	12.4
110.06090	4.4
110.07188	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01585	0.3
51.60546	0.2
53.03938	1.6
55.01862	0.8
65.03932	14.0
67.04245	0.6
67.05492	2.6
67.97586	0.2
71.65611	0.5
77.03913	0.3
79.05485	12.5
80.05014	2.9
80.05807	0.3
88.05695	0.2
91.05470	100.0
92.03783	0.2
92.05789	2.2
92.06259	2.5
93.05772	0.3
95.04963	3.4
96.04469	0.4
103.05451	0.8
105.04552	0.5
105.07019	30.1
106.04163	0.4
106.07365	0.7
107.04936	5.4
107.06038	1.1
107.08579	29.2
108.04456	0.8
108.05566	0.7
108.06325	0.2
108.08135	0.5
108.08917	1.1
109.06505	16.1
110.06840	0.4
110.08398	0.2
110.43063	0.2
119.06040	6.3
120.84208	0.3
124.05201	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1088.6348
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05016	3.5
79.05474	61.9
81.03395	7.3
81.07043	81.8
83.08591	9.2
85.02892	99.3
85.06533	4.0
87.04443	3.4
91.03938	61.7
91.05462	50.8
93.07028	74.7
95.04940	12.0
95.08586	56.9
97.02877	56.5
97.06496	6.6
97.10203	3.6
99.04424	3.7
103.03941	3.1
105.07011	33.6
107.08572	33.1
109.06500	5.1
109.10130	27.3
115.03883	5.6
117.07023	14.6
119.08548	23.8
121.10125	33.9
123.11672	11.0
127.03892	40.7
129.06979	4.8
131.08521	24.6
133.10089	25.2
135.11667	26.3
137.09613	2.8
137.13164	4.5
145.04935	63.0
145.10078	19.8
147.11668	20.9
149.13246	14.5
157.10074	4.6
159.11629	13.3
161.13206	9.6
163.05998	100.0
163.14787	5.4
173.13249	12.6
175.14761	7.5
177.16333	5.1
185.13213	3.3
189.16301	7.5
204.08640	2.9
205.19463	2.6
213.16348	7.9
215.17921	23.4
231.17459	9.3
233.18982	24.4
241.19562	3.7
243.21021	4.6
259.20551	7.2
261.22046	11.3
270.22079	3.0
281.20740	3.2
289.21530	4.4
305.20911	9.1
307.22614	92.0
309.24265	12.4
317.24631	3.8
325.11249	5.6
333.24084	7.4
335.25763	90.0
337.27289	10.2
493.40106	8.2
567.43970	32.1
585.45001	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02369	1.6
53.03941	13.7
54.03460	0.4
54.73847	0.3
55.01867	1.8
56.96557	2.9
65.03933	2.1
66.03452	0.6
67.04240	7.2
67.05505	0.7
69.93292	1.8
77.03907	1.9
79.05485	100.0
80.05011	13.8
80.05807	3.1
80.06266	1.4
81.03408	1.8
81.04530	1.0
83.00786	0.5
89.03906	0.5
90.04706	1.6
91.05468	12.1
92.03750	0.7
92.05801	0.5
93.05782	1.0
95.04958	22.9
96.04507	0.7
96.05287	0.6
99.06889	0.3
102.75535	0.3
104.00418	0.4
105.04507	5.1
105.07024	3.6
106.06549	1.0
107.04945	55.8
107.06018	7.8
107.08578	3.0
108.04555	2.7
108.05724	6.9
108.08066	1.9
109.06504	1.5
111.89015	0.3
112.99322	0.3
118.06499	0.4
119.06061	0.6
119.46321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03880	1.2
79.05481	28.5
79.05912	1.1
81.03406	42.5
81.07043	31.8
81.07519	1.6
83.04971	3.9
83.08619	3.2
85.02866	1.3
85.06503	0.7
89.03856	2.2
89.12399	0.6
91.05467	39.9
93.07029	44.4
94.07777	0.8
95.04407	0.6
95.04949	10.0
95.08593	29.6
97.02858	0.8
97.06503	2.9
97.10113	1.2
99.08039	0.7
100.76834	0.5
103.05468	3.2
105.03352	1.1
105.04482	0.7
105.07015	15.9
107.04942	3.4
107.08582	12.1
109.06515	3.2
109.10142	10.3
111.08012	1.5
115.05387	2.4
117.03317	1.8
117.07001	6.9
119.08562	28.1
120.05678	0.6
120.09342	0.8
121.02847	0.6
121.05735	0.9
121.06487	11.8
121.10128	13.6
122.07217	0.8
123.04392	1.9
123.08054	4.3
123.11707	2.9
125.09557	0.7
129.06970	5.8
130.07701	0.9
131.04832	1.8
131.07639	0.7
131.08539	7.9
133.02814	2.9
133.06413	1.3
133.10123	6.0
135.04379	4.1
135.07977	1.6
135.11671	6.1
137.05934	0.9
137.09601	16.2
137.13176	0.7
141.06953	1.3
143.04854	1.3
143.08537	1.3
145.02824	4.5
145.06412	1.7
145.10103	5.1
147.04401	3.9
147.07004	0.6
147.08031	8.4
147.11647	5.4
148.08829	5.9
149.05888	0.9
149.09618	4.3
149.13229	3.5
153.06920	0.6
155.04855	0.7
155.08484	1.1
157.06448	1.1
157.10020	2.2
159.04411	13.2
159.11664	3.6
161.02325	11.5
161.05981	1.3
161.13181	2.4
163.03885	62.3
163.14799	1.2
165.05405	4.0
165.06889	1.2
165.09102	16.7
167.08475	0.7
167.10678	1.1
169.06429	1.7
169.10095	1.3
171.04361	2.0
171.11652	1.3
173.02321	39.1
173.05902	4.4
173.13287	2.7
175.03874	4.1
175.11115	1.6
175.14769	1.6
176.11887	1.1
177.05426	1.2
178.07767	0.7
179.08453	0.9
181.06433	1.3
181.10103	0.7
183.04338	1.2
183.08015	1.0
183.10098	2.6
183.11504	0.6
185.05928	2.7
185.13168	1.1
187.03879	25.9
187.07420	1.0
187.14780	1.8
189.05417	4.7
191.03279	1.1
191.08400	0.7
191.84628	0.5
193.06444	0.8
193.10152	0.8
193.12039	0.7
194.07213	0.6
195.08003	1.3
197.05879	2.2
197.09564	0.9
199.03873	25.5
201.05450	7.1
201.09052	0.9
203.03300	1.2
203.06921	1.1
207.11583	0.8
209.05971	0.9
209.09476	1.8
211.07436	2.4
213.05426	7.1
213.08981	1.1
215.03371	1.1
215.06960	1.4
215.17798	1.8
217.04883	1.9
219.08029	0.9
221.09531	2.3
223.07434	1.0
225.05486	3.7
225.08937	1.5
227.06958	1.6
227.10555	1.0
229.04936	6.1
231.06528	1.2
233.18947	1.2
235.11021	1.0
237.05421	0.8
237.09192	3.1
239.07027	3.7
239.10657	6.6
239.12831	0.5
241.04941	0.9
241.08647	1.1
243.06508	0.7
243.20985	2.0
249.05339	1.7
249.09167	0.8
253.08559	1.6
255.10156	10.0
257.11743	1.4
259.20508	3.7
261.22083	6.5
263.10635	2.1
265.08560	5.3
265.11139	0.8
267.10107	3.3
267.16019	0.8
277.21573	1.2
281.11673	5.1
283.09625	15.2
283.12903	1.5
285.11148	0.5
291.10141	7.1
293.11765	0.5
299.12753	1.7
301.10724	0.9
307.22610	2.8
309.11179	15.0
315.23315	0.6
317.24658	0.8
319.13284	0.8
327.12253	16.8
327.15771	0.7
329.13907	5.3
333.24124	1.1
335.25757	26.5
337.14444	3.1
345.13269	29.1
347.14780	5.1
355.15427	2.5
361.23727	0.8
373.16693	0.9
383.14658	0.8
401.15906	100.0
402.16174	2.0
403.17395	3.6
411.18033	2.2
419.17014	1.4
429.19055	8.4
431.92310	0.6
447.20151	1.8
499.34009	2.0
500.34955	0.9
551.31403	1.2
559.34113	0.6
569.32635	3.9
577.34717	1.0
587.33496	8.9
593.22058	4.9
605.34668	12.6
623.35754	1.2
633.37482	1.7
637.37384	0.8
643.36029	4.7
651.38678	4.6
661.37250	70.9
662.37555	2.5
679.38318	92.7
680.38989	2.8
841.43524	0.8
853.44012	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05023	2.3
79.05482	39.7
81.03397	12.3
81.07047	72.3
83.04980	3.9
83.08604	7.0
91.05467	24.9
93.07034	31.7
95.04970	9.3
95.08592	21.1
97.06490	4.6
103.05470	2.6
104.10764	2.1
105.07012	16.4
107.08590	13.0
109.06483	9.1
109.10156	10.3
115.05458	4.5
117.06994	7.7
119.08582	10.9
121.10160	12.9
122.65130	1.8
123.08064	2.3
123.11712	2.2
128.06209	2.5
129.06976	7.1
131.04938	2.4
131.08542	9.0
133.06523	3.1
133.10109	7.6
135.04433	2.0
135.11685	7.2
137.09610	3.9
141.06940	4.4
143.04880	2.8
143.08472	2.0
145.06494	7.3
145.10103	6.5
147.04387	5.1
147.08006	2.5
147.11638	5.2
149.09570	4.5
149.13216	4.0
150.55161	1.9
153.06888	2.0
155.08597	2.4
157.06448	9.3
159.04413	5.2
159.11681	6.2
161.05980	7.5
161.13303	2.2
163.03859	15.2
165.05573	2.3
165.06912	3.9
165.09172	2.3
167.08514	3.5
169.06444	3.8
171.04411	17.7
173.02362	9.3
173.05951	19.3
173.13260	3.5
175.03973	3.5
177.05450	3.5
179.08572	4.2
181.06418	4.3
183.04414	5.9
183.08119	2.8
183.10179	4.5
184.05107	4.1
184.07466	2.3
185.05931	17.6
187.03876	21.1
189.05421	9.2
193.06462	2.1
194.07277	1.9
195.08051	3.1
197.05965	17.1
198.06647	3.0
199.03917	32.0
199.07460	7.3
200.04671	28.7
201.05438	47.4
202.07727	2.4
207.08124	4.3
207.11682	4.0
211.03918	4.7
211.07477	6.2
212.04630	5.5
213.05441	79.5
215.03343	12.6
215.06961	3.6
217.04939	4.7
217.10051	4.1
219.08078	3.5
219.11610	4.3
221.09550	4.4
222.07040	1.9
223.07480	1.9
224.08211	2.5
225.05467	13.2
225.09081	3.5
226.06212	5.3
227.03343	29.1
227.06956	5.3
229.04933	6.4
235.07526	5.0
235.11082	12.1
237.09154	4.5
239.06985	5.7
239.10669	8.0
240.07782	2.6
241.08562	1.9
241.12106	2.5
241.19496	2.0
243.21014	2.3
245.09627	7.0
247.11115	3.0
247.88136	2.0
249.09065	3.8
251.11028	2.0
253.08560	2.8
253.12183	4.0
255.10158	3.9
259.20581	6.4
261.22058	8.3
263.10751	9.5
265.08655	3.6
267.10132	10.4
267.13782	3.1
269.11743	6.3
273.09058	4.4
281.11716	57.4
283.09586	4.0
283.13120	4.4
285.11411	2.6
291.10141	11.8
299.12689	5.3
301.10779	2.8
305.21173	2.1
307.22763	4.3
309.11191	41.0
311.12708	7.8
327.12280	22.9
327.15933	3.5
329.13797	3.8
333.24283	3.1
335.25742	24.1
337.14059	2.0
345.13358	6.1
355.15350	10.7
373.16556	2.0
383.14841	100.0
384.15039	2.7
385.16339	9.7
401.15894	67.9
403.17563	3.7
411.17856	7.9
429.18927	9.3
447.20026	3.0
483.16412	2.5
501.17294	4.4
541.31976	2.3
557.20490	2.3
569.32300	7.4
587.33539	3.6
593.21979	3.1
605.34741	4.7
615.36212	2.3
619.36469	4.1
633.38031	9.5
643.36304	30.3
661.37213	69.8
662.37341	3.7
679.38293	44.0
805.42188	2.3
817.41180	3.4
835.42517	9.3
853.43762	19.3
892.24622	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	29.1
81.03401	2.5
81.07047	21.1
83.04974	1.9
83.08604	4.4
85.02907	1.2
85.06551	1.3
91.05468	22.9
93.07030	28.7
95.04945	5.8
95.08590	13.8
97.02869	1.0
97.06480	2.2
99.08101	2.0
103.05437	1.5
105.07020	10.3
107.04931	1.8
107.08552	8.5
109.06518	1.5
109.10144	9.1
111.08069	1.8
115.05449	2.5
117.06998	5.1
119.08566	10.0
121.10116	13.1
123.08073	2.0
123.11744	1.6
128.06235	1.3
129.07004	3.3
131.04919	1.7
131.08575	6.7
133.10091	7.3
135.08046	1.1
135.11710	6.7
137.09576	2.1
141.06992	2.2
143.08525	1.5
145.06473	4.0
145.10118	5.6
147.04382	1.5
147.11685	3.7
149.05939	1.3
149.09598	1.5
149.13281	3.0
153.06999	3.7
155.04913	1.8
157.06447	5.5
157.10185	2.0
159.04410	1.2
159.11720	2.9
161.05983	7.0
163.03886	3.8
163.11090	1.0
165.06973	2.9
165.09209	1.0
166.07852	0.9
167.08578	1.5
169.06479	2.9
169.10103	1.1
171.04387	7.4
171.08078	1.9
171.11732	1.5
173.05956	19.9
173.13248	1.7
175.03838	2.5
175.07550	2.6
175.11250	1.3
177.05508	1.7
179.08562	1.9
181.06483	7.8
183.04405	2.0
183.07973	2.4
183.18987	1.0
184.05188	2.0
185.05962	11.8
187.03877	7.1
187.07503	5.4
187.14746	1.1
189.05431	8.3
193.06512	2.3
195.08049	2.7
195.11797	0.9
197.05969	11.2
199.03876	10.6
199.07478	10.4
200.04712	6.3
201.05437	22.2
201.08952	1.1
203.07066	1.5
206.91391	0.9
207.08025	2.1
209.06026	3.4
209.09651	1.4
211.07495	7.5
211.10973	1.0
212.04681	2.4
213.05443	100.0
213.08963	3.0
213.16426	3.2
214.05827	1.3
215.03448	1.8
215.06979	5.0
215.17937	8.3
217.04916	18.4
219.08090	1.3
221.05968	2.8
223.07573	2.7
223.11404	1.1
225.05490	10.1
225.09129	2.8
226.06169	5.2
227.03397	10.9
227.06914	8.3
229.04951	4.3
229.08490	1.6
231.17461	5.9
233.18977	8.4
235.07532	3.5
237.05788	1.0
237.09052	1.2
238.06181	3.2
239.06967	7.7
239.10617	1.1
240.07700	1.7
241.05014	1.2
241.08484	1.6
241.12312	2.8
249.09030	2.0
251.07065	2.2
252.07825	2.6
253.08672	3.9
254.09285	1.2
265.12045	1.5
267.10028	1.7
267.13797	4.0
273.12610	2.4
277.11926	1.4
281.15363	1.8
283.13342	2.5
285.14807	2.1
291.13748	3.4
293.11691	1.0
295.13315	3.7
305.21027	1.2
307.22632	39.9
309.14719	10.5
311.12732	5.9
311.15973	1.1
313.14331	4.0
319.13257	4.7
327.15848	4.9
329.13721	11.5
337.14301	60.3
339.15756	4.8
349.23639	1.2
355.15402	23.0
357.17078	1.4
373.16385	3.9
385.11908	1.9
385.16412	18.5
393.16901	1.9
403.17511	4.6
411.17981	89.1
412.18448	1.3
413.19492	5.4
429.19061	55.2
447.20120	4.3
511.19513	2.3
529.20349	3.6
569.32416	2.8
585.22888	1.3
587.33423	1.9
603.23615	1.2
617.34186	1.5
619.36127	2.4
621.25024	2.6
633.37628	4.8
635.35486	8.6
643.36346	17.3
644.36786	1.0
661.37256	90.2
662.37634	2.1
679.38318	31.3
835.41821	6.2
846.30823	1.2
853.43280	7.4
1050.59119	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01602	0.7
51.02364	2.3
53.03708	1.0
53.03940	14.1
55.01865	0.6
60.81226	0.5
61.08471	2.1
62.98628	0.7
65.03933	3.5
70.37040	0.6
71.10292	1.6
77.03918	2.3
79.05483	53.5
80.05826	0.8
81.03408	1.5
95.04956	28.1
95.32654	0.7
103.05454	35.7
105.03418	1.1
105.04524	7.0
105.07015	100.0
105.11063	4.7
106.06539	3.1
106.07347	2.9
108.02128	0.7
109.10004	0.6
111.78314	0.6
123.85269	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01598	0.4
50.38295	0.4
51.02365	2.3
53.03939	13.0
60.04512	0.7
65.03915	2.5
69.60579	0.9
69.60987	2.4
77.03924	3.1
78.56681	0.4
79.05481	51.5
80.05811	0.8
81.03407	1.3
82.58614	0.4
83.57464	0.5
87.00848	0.8
95.04953	25.2
96.05322	0.6
102.39530	0.5
103.05451	32.9
103.15236	0.4
104.05759	1.1
105.03366	1.0
105.04525	5.4
105.07012	100.0
105.11045	1.1
106.06538	1.9
106.07339	3.8
111.06183	0.4
111.63392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
76.58202	0.3
77.03929	0.9
79.05485	34.2
79.17349	0.3
80.06265	0.6
81.02927	0.7
81.03408	15.5
81.07047	21.9
83.04966	1.9
83.08610	3.6
85.02910	0.6
85.06534	1.2
89.03898	1.2
91.05467	23.6
93.07032	33.3
94.92415	0.3
95.04953	9.0
95.08595	13.9
97.02893	0.6
97.06513	2.4
97.10159	1.4
99.08077	0.9
103.05446	2.0
104.06261	0.4
105.03409	0.6
105.04523	1.2
105.07022	14.6
106.07774	0.4
107.04925	2.3
107.08582	9.4
109.06516	2.3
109.10134	7.9
111.04408	0.5
111.08076	1.6
115.05428	1.8
116.06213	0.4
117.03374	1.0
117.07002	4.3
119.04940	0.4
119.08572	11.6
120.09316	0.4
121.06505	1.5
121.10129	18.2
122.10886	0.5
123.04417	0.9
123.08059	1.1
123.11698	2.8
125.09607	0.9
128.06204	1.2
129.05504	0.3
129.06985	3.8
130.07787	0.5
131.04933	1.4
131.08553	7.7
132.09338	0.4
133.02815	1.5
133.06483	0.7
133.10114	9.1
135.04416	3.0
135.08044	0.9
135.11681	4.5
137.09641	1.5
139.11238	0.4
141.06978	1.0
142.07747	0.9
143.04906	1.6
143.08559	1.0
145.02821	2.7
145.06470	1.5
145.10101	2.7
147.04399	2.1
147.08044	1.3
147.11661	6.1
148.12506	0.3
149.05988	1.6
149.09605	6.8
149.10780	0.5
149.13251	2.0
150.10399	0.9
150.34334	0.4
151.11189	1.6
153.07005	0.6
155.04939	0.8
155.08540	0.6
156.93158	0.3
157.06474	2.4
157.10117	2.3
159.04387	9.6
159.11700	2.2
161.02332	6.7
161.05992	1.5
161.13292	0.7
163.03886	25.0
163.11153	1.0
165.05492	1.2
165.06989	0.6
165.09140	1.1
165.12721	2.1
169.06479	1.2
169.10146	0.4
171.04437	1.4
171.08115	0.7
171.11763	0.5
173.02333	15.8
173.05942	3.5
173.13277	1.0
175.03871	2.1
175.07628	0.7
175.11209	1.7
176.11949	0.6
177.05460	1.0
177.12749	0.5
178.06047	0.4
179.08598	0.6
181.06520	1.3
183.04419	0.7
183.08047	1.4
185.05957	4.5
187.03882	18.0
187.07535	1.2
189.05498	2.4
191.03394	1.1
191.08578	0.5
193.06625	0.5
193.10408	0.5
193.12207	2.7
195.08031	1.0
195.11842	0.4
195.13792	0.4
197.06013	1.7
199.03880	8.9
199.07579	1.3
201.05449	6.5
203.03336	1.7
203.07066	0.7
205.05022	1.0
205.19511	0.4
207.08058	0.5
209.06061	0.8
209.09628	0.8
211.07542	1.3
211.11366	0.4
211.13324	1.2
213.05444	17.6
213.08916	0.6
213.16406	1.3
214.05963	0.4
215.03429	1.1
215.07047	1.9
215.17920	4.8
217.04979	0.8
219.08218	0.3
221.09599	0.5
223.07489	0.7
223.11111	0.4
225.05432	2.0
225.09140	1.2
227.07004	2.7
229.04999	2.2
231.06584	0.6
231.17422	2.3
233.09651	0.4
233.18991	4.6
237.09233	0.5
237.12637	0.4
239.07040	1.0
239.10732	1.2
239.14380	0.7
241.08643	0.9
241.12186	0.6
249.09297	0.4
249.12627	0.6
249.18611	0.5
251.10716	0.5
253.08746	0.4
255.10190	0.8
261.22147	0.5
265.12234	1.1
267.13721	5.8
275.10834	0.4
281.11691	0.7
283.09909	0.7
283.13196	5.2
285.14709	1.9
289.21646	0.9
291.09906	0.5
291.13690	0.4
293.11694	3.7
300.11142	0.3
305.21078	0.5
307.22656	10.7
309.11157	1.1
309.14929	0.9
311.12839	5.5
311.16428	2.1
313.14417	0.7
319.13602	0.4
327.12286	1.0
327.15967	2.6
329.13852	1.0
329.17578	0.4
333.20633	0.4
335.25778	1.3
337.14270	3.6
337.17941	0.4
338.11694	0.3
339.16190	0.3
345.13303	1.2
345.81934	0.3
355.15381	14.0
357.16837	2.0
373.16434	5.9
401.15875	5.5
401.20715	0.5
403.17291	0.4
411.17908	0.8
429.19061	30.3
430.19550	0.6
431.20587	1.4
447.20193	3.8
457.17245	0.3
529.21069	0.6
559.33911	0.7
569.32635	2.0
587.33673	4.6
603.24512	0.5
605.34650	4.2
617.34485	0.4
621.25262	1.1
633.37854	1.0
637.37201	0.9
643.36224	1.6
651.39075	4.0
661.37280	31.0
662.37720	1.3
679.38336	100.0
680.38312	2.7
732.85297	0.3
823.42743	0.4
853.43555	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02371	2.7
53.03942	14.8
61.08432	0.7
64.95551	0.6
65.03927	2.5
68.73251	0.8
71.54806	1.5
77.03912	2.7
79.05488	51.1
80.05798	1.1
81.03397	0.8
91.05452	1.8
95.04960	25.3
103.05458	31.9
104.05750	1.1
105.03425	1.6
105.04519	8.1
105.07022	100.0
105.11037	1.2
106.06554	4.5
106.07358	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55106	0.2
56.05034	0.4
58.06596	5.3
59.07383	1.7
60.08158	55.5
61.01140	0.2
68.05022	0.3
69.03423	1.7
71.23078	0.4
71.23410	0.2
74.06075	0.5
74.15438	0.2
75.14797	0.2
86.06049	0.9
87.04459	3.6
89.08425	0.2
104.10733	100.0
105.11067	1.6
112.75461	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43586	0.3
55.30333	0.2
58.06593	5.6
59.07377	1.8
60.08159	61.4
61.08497	0.5
63.55336	0.2
64.93067	0.2
69.03432	2.1
71.59340	0.4
86.06045	0.9
86.09691	0.4
87.04459	4.2
87.30544	0.2
102.17756	0.2
104.10734	100.0
105.11044	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01564	0.7
51.02369	3.9
53.03937	24.0
55.01854	2.6
56.05005	1.8
57.05359	2.1
58.02931	0.8
58.06583	3.1
59.06129	4.7
60.04501	1.7
60.08151	6.7
62.06084	6.1
62.92970	1.0
66.60159	0.7
69.03410	2.2
71.18639	1.6
73.07683	1.2
75.05575	0.9
77.03916	5.9
81.03404	2.9
85.02909	1.6
85.07652	1.2
86.06052	5.4
87.04455	6.3
95.04951	50.1
102.04659	4.6
103.03967	2.3
103.05450	100.0
103.08688	11.4
104.05797	2.8
104.10738	10.3
105.04501	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5935
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04974	5.1
73.02903	2.9
79.05486	75.3
79.52259	1.7
81.03410	19.9
81.07047	100.0
81.79399	2.0
83.04976	16.2
83.08611	19.8
85.02872	11.9
85.06538	3.9
91.05471	72.3
93.07034	74.4
95.04971	22.8
95.08596	44.1
97.02872	10.0
97.06529	25.1
97.10158	18.1
99.04422	2.3
99.08091	4.7
103.05450	4.1
105.07017	56.8
107.04948	17.1
107.08582	59.2
109.02867	3.3
109.06497	11.2
109.10156	22.1
111.04453	2.4
111.08065	6.0
115.05439	3.1
117.07011	28.2
119.08576	37.3
121.06504	7.3
121.10139	26.0
123.08044	9.4
123.11696	6.1
125.09602	15.5
127.03919	5.2
128.06204	3.9
129.07005	12.4
130.07767	2.1
131.04910	1.9
131.08556	34.9
133.10126	39.0
135.08055	9.4
135.11690	22.9
137.09616	2.8
141.07018	5.2
143.08499	9.8
145.06450	2.9
145.10118	28.7
147.07996	3.1
147.11655	20.5
149.09622	23.8
149.13246	16.0
151.11172	4.0
155.08571	6.3
157.10147	10.0
159.11688	22.5
161.09731	2.4
161.13254	6.7
163.11177	14.3
169.10130	8.5
171.10251	2.7
171.11670	5.7
173.04460	4.6
173.09653	3.0
173.13269	7.3
175.11160	3.7
175.14709	2.5
177.12755	4.2
179.14369	4.8
181.10057	2.6
183.11671	6.5
185.13254	4.8
187.11096	3.6
189.11221	7.6
189.12755	2.6
195.11903	2.3
195.13808	8.7
197.13185	4.1
199.14870	2.1
213.16484	2.3
220.06952	1.9
227.12733	22.1
229.14423	4.9
229.19502	5.5
239.17931	6.4
244.66287	1.9
247.20511	4.0
250.76697	1.9
253.18132	2.5
255.15845	10.8
257.18948	14.5
263.48041	2.2
267.15964	2.6
269.17441	35.3
270.17419	2.2
275.20044	66.7
276.20444	2.1
291.19644	2.2
293.21091	6.7
329.21490	2.4
331.22607	5.8
349.23697	60.4
367.24878	4.0
378.87579	2.0
409.25516	2.3
413.21353	2.3
431.27914	3.0
435.26715	2.8
439.27023	3.7
445.29657	3.4
449.29071	15.0
463.30566	25.1
503.33807	5.9
513.36365	2.1
519.33148	5.4
524.77747	2.1
525.35565	8.8
529.35370	11.4
543.28979	4.0
543.36768	51.6
561.37653	7.4
583.39929	2.3
607.34192	2.7
623.42963	22.3
641.43848	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5933
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04972	4.5
71.75163	2.1
73.02926	4.0
75.46943	1.7
77.03922	2.1
79.05019	3.7
79.05481	74.1
81.03407	17.9
81.07043	100.0
83.04975	18.5
83.08602	16.8
84.88184	2.1
85.02890	9.9
85.06553	5.0
91.05466	71.8
93.07033	80.4
94.07412	1.9
95.04341	2.5
95.04948	20.9
95.08590	42.8
97.02894	9.8
97.06523	21.6
97.10147	12.1
99.04428	3.3
99.08076	3.4
103.05438	3.2
105.04514	2.2
105.07013	61.7
107.04927	13.3
107.08577	59.8
109.02869	2.2
109.06518	11.9
109.10145	22.7
111.08058	9.7
113.09674	2.6
115.05415	4.6
117.07008	24.5
119.08562	42.2
120.09032	1.8
121.06495	5.7
121.10130	25.0
123.08035	8.4
123.11697	6.9
125.09596	12.9
127.03907	8.2
128.06232	3.4
129.06985	14.0
130.07585	2.0
131.08551	33.2
133.06465	2.6
133.10106	32.1
135.08025	7.3
135.11658	20.3
137.09607	5.1
139.11191	2.7
141.06990	6.8
143.08517	11.1
145.06450	4.3
145.10130	23.9
147.08043	4.0
147.11699	14.3
149.09587	20.3
149.13228	18.7
151.11148	7.7
155.08591	5.3
157.10083	11.7
159.08058	2.9
159.11681	22.8
161.09619	3.8
161.13225	7.2
163.11157	13.8
167.08536	2.8
169.10100	5.8
171.11670	7.7
173.04462	3.4
173.11797	2.8
173.13263	7.9
175.11185	2.7
177.12758	6.7
179.14313	4.6
181.10155	1.7
181.12308	2.9
183.11710	5.4
185.13170	4.0
187.11165	3.4
189.11212	5.3
191.14299	2.4
195.11986	2.0
195.13715	9.8
197.13301	5.3
209.13277	2.3
212.69412	1.8
227.12776	13.7
229.14207	2.8
233.15327	2.2
237.16487	1.8
239.17941	5.5
245.13797	2.4
247.20685	4.0
255.15833	14.8
257.18912	14.4
259.20596	3.3
267.15915	4.0
269.17456	50.8
275.20029	55.6
291.19476	4.2
293.21127	4.5
303.16110	2.9
331.22665	6.2
349.23691	50.7
367.24634	6.7
413.21564	4.3
423.27359	6.0
431.27982	2.2
445.29440	3.4
447.31287	3.1
449.29019	26.5
451.32147	3.2
463.30521	35.4
464.30444	2.2
503.33478	5.4
515.37219	3.8
519.33112	2.9
525.35687	7.5
529.35492	15.3
530.35364	2.4
543.36707	72.0
544.36890	4.3
547.36285	3.3
561.37817	11.2
623.43164	15.2
641.43677	7.9
657.85284	2.2
687.40735	3.7
705.41766	2.9
708.86926	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94366	0.4
53.03918	0.7
55.01852	2.2
55.05507	3.8
56.05030	26.4
56.96559	19.1
57.03413	2.0
57.04538	2.4
58.02950	1.5
58.05325	1.1
58.06585	3.2
58.96165	2.5
58.99852	1.5
59.05008	2.8
59.06120	51.0
59.07374	0.6
59.93120	0.6
59.96173	1.1
59.99929	0.7
60.04522	13.8
60.95608	0.6
60.95850	6.8
60.99620	0.6
68.02650	1.3
69.01884	0.7
69.04549	0.6
70.08718	3.0
70.98100	1.6
71.01326	0.6
71.95261	1.0
72.06882	1.4
72.08146	3.1
73.02919	2.7
73.07665	1.4
73.94851	0.7
74.02430	2.0
74.06070	4.6
77.00811	3.8
78.00967	0.7
78.90231	0.5
79.01839	1.3
80.52702	1.2
81.55054	0.5
82.01434	0.9
83.01516	1.6
83.04976	1.2
83.06095	4.6
83.46786	0.5
84.01160	0.9
84.01622	0.6
84.04494	7.1
84.06880	1.0
84.08124	1.5
85.02883	2.2
86.01266	0.8
87.06863	0.6
87.53407	0.5
88.02331	0.8
88.99142	0.6
89.00248	0.7
89.00836	1.2
89.02557	0.6
89.03439	0.6
95.01947	0.8
97.02850	0.8
98.01279	1.9
98.97578	1.7
100.02476	5.0
100.97192	1.1
100.97964	1.0
101.00869	15.4
101.02536	12.9
101.06054	1.1
101.07134	10.6
102.02229	6.6
102.05534	1.7
102.09132	1.6
103.00655	0.6
107.01804	0.8
115.01200	0.7
116.98640	1.1
117.95921	0.6
118.03506	2.3
118.98192	1.3
118.99047	1.3
119.01908	100.0
119.03615	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
56.05033	15.1
56.96551	4.3
57.03434	1.4
57.04546	1.6
58.02947	1.5
58.99834	1.5
59.05831	2.1
59.06119	31.1
60.04506	7.6
62.75667	1.3
68.02643	1.3
70.10789	7.2
73.61197	1.7
74.06075	2.5
78.00957	2.0
82.01415	2.6
82.99823	1.4
83.01483	7.8
83.06085	3.3
83.06995	1.4
83.42995	1.5
84.01160	3.4
84.04510	3.6
98.54480	1.7
100.02460	7.0
101.00874	15.6
101.02538	30.5
101.07127	6.0
102.02229	13.8
118.03499	3.8
119.01913	100.0
119.03635	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5986
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51836	29.4
70.06576	5.1
71.04974	5.7
73.02951	3.1
79.05483	92.1
79.52341	3.0
81.03400	11.4
81.07050	100.0
83.04964	10.8
83.08604	20.1
85.02885	13.5
85.06530	6.5
91.03952	4.3
91.05472	97.9
93.07038	91.3
95.04974	19.1
95.08603	63.5
97.02917	7.4
97.06518	11.9
97.10148	11.6
98.21476	5.5
99.04471	3.4
99.08090	4.7
103.05498	3.5
105.07026	78.6
107.04955	11.0
107.07898	4.7
107.08588	56.8
109.06500	7.0
109.10138	34.0
111.08095	5.7
115.05452	5.7
117.07008	36.6
119.08569	69.4
120.08882	4.5
120.64661	3.1
121.06457	7.3
121.10133	35.9
123.08077	7.1
123.11699	7.5
125.09599	11.9
127.03836	4.2
128.06203	6.3
129.05518	4.4
129.06987	21.1
130.07814	3.5
131.08553	45.1
133.10114	50.5
135.08051	6.8
135.11696	27.5
137.09572	5.7
141.06943	5.8
142.07744	4.4
143.08531	28.9
145.10104	39.7
147.08018	3.8
147.11664	42.4
149.09604	9.5
149.13271	17.6
151.11151	5.5
153.06938	3.4
155.08511	10.6
156.09364	3.2
157.10115	24.0
159.08043	5.3
159.11681	30.7
161.09615	5.8
161.13289	20.1
163.11176	9.7
167.08507	5.9
169.10115	13.0
171.11713	23.5
173.09586	5.4
173.11913	4.2
173.13245	18.1
175.14809	11.2
177.12711	5.2
179.14304	4.7
181.10097	11.3
183.11603	14.7
185.13278	12.7
187.11194	4.1
187.14816	6.1
189.16380	4.8
193.10051	4.1
195.11717	8.1
195.13707	6.4
197.13220	10.0
199.14825	12.1
201.16359	5.4
205.15768	3.3
209.13173	8.1
219.11728	4.0
221.13229	4.6
223.14877	4.3
226.07495	3.4
229.14319	8.2
229.19514	3.5
231.21043	3.8
235.14719	4.0
237.16533	6.0
241.19495	16.6
249.16368	3.5
255.15916	8.5
257.18973	8.3
259.20535	39.0
269.17249	15.9
273.18533	10.0
275.20087	33.3
276.14279	3.1
277.21579	3.3
291.19550	12.9
315.23105	5.6
331.22699	3.2
333.24301	40.1
335.25885	27.3
347.22015	5.2
349.24051	16.0
358.16226	3.4
365.23404	7.6
421.30609	3.4
433.30487	3.4
435.32672	5.0
453.33594	7.4
509.36520	6.9
513.35760	32.3
515.38226	5.2
527.37262	53.0
531.36340	4.1
533.39307	7.5
545.38489	7.6
607.43524	50.1
621.37335	3.9
625.44519	64.0
643.45380	15.5
653.40948	4.8
689.42120	4.8
733.46722	5.7
769.48071	4.5
787.50916	3.8
1025.21924	3.5
END